Literature DB >> 21588636

[4-(Di-tert-butyl-fluoro-silan-yl)phenyl]methanol.

Ljuba Iovkova-Berends1, Christina Dietz, Klaus Jurkschat.   

Abstract

The asymmetric unit of the title compound, C(15)H(25)FOSi, contains two independent mol-ecules. Each of the Si atoms approximates the expected tetra-hedral geometry with Si-F bond lengths of 1.6128 (11) and 1.6068 (11) Å in the two independent mol-ecules. In the crystal, supra-molecular chains along a are found mediated by O-H⋯O hydrogen bonds.

Entities:  

Year:  2010        PMID: 21588636      PMCID: PMC3007959          DOI: 10.1107/S160053681003148X

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For synthetic background, see: Iovkova et al. (2009 ▶). For related structures, see: Iovkova et al. (2009 ▶); Bradtmöller et al. (2006 ▶).

Experimental

Crystal data

C15H25FOSi M = 268.44 Triclinic, a = 8.3213 (5) Å b = 12.4011 (7) Å c = 17.1036 (9) Å α = 103.581 (5)° β = 101.553 (5)° γ = 107.487 (5)° V = 1564.96 (18) Å3 Z = 4 Mo Kα radiation μ = 0.15 mm−1 T = 173 K 0.26 × 0.14 × 0.12 mm

Data collection

Xcalibur2 CCD diffractometer Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2008 ▶) T min = 0.928, T max = 1.000 5698 measured reflections 5698 independent reflections 3074 reflections with I > 2σ(I) R int = 0.042

Refinement

R[F 2 > 2σ(F 2)] = 0.037 wR(F 2) = 0.070 S = 0.81 5698 reflections 337 parameters H atoms treated by a mixture of independent and constrained refinement Δρmax = 0.27 e Å−3 Δρmin = −0.24 e Å−3 Data collection: CrysAlis CCD (Oxford Diffraction, 2008 ▶); cell refinement: CrysAlis RED (Oxford Diffraction, 2008 ▶); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2006 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶). Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053681003148X/tk2698sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S160053681003148X/tk2698Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
C15H25FOSiF(000) = 584
Mr = 268.44Dx = 1.139 Mg m3
Triclinic, P1Melting point: 355 K
a = 8.3213 (5) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.4011 (7) ÅCell parameters from 5698 reflections
c = 17.1036 (9) Åθ = 2.5–25.5°
α = 103.581 (5)°µ = 0.15 mm1
β = 101.553 (5)°T = 173 K
γ = 107.487 (5)°Block, colourless
V = 1564.96 (18) Å30.26 × 0.14 × 0.12 mm
Z = 4
Xcalibur2 CCD diffractometer5698 independent reflections
Radiation source: Enhance (Mo) X-ray Source3074 reflections with I > 2σ(I)
graphiteRint = 0.042
Detector resolution: 16.0560 pixels mm-1θmax = 25.5°, θmin = 2.5°
489 frames via ω–rotation (Δω = 1°) and two times 40 s per frame (8 sets at different κ–angles) scansh = −10→9
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2008)k = −15→14
Tmin = 0.928, Tmax = 1.000l = 0→20
5698 measured reflections
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.070H atoms treated by a mixture of independent and constrained refinement
S = 0.81w = 1/[σ2(Fo2) + (0.0317P)2] where P = (Fo2 + 2Fc2)/3
5698 reflections(Δ/σ)max = 0.001
337 parametersΔρmax = 0.27 e Å3
0 restraintsΔρmin = −0.24 e Å3
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.
xyzUiso*/UeqOcc. (<1)
Si10.21087 (9)0.53468 (5)0.86407 (4)0.02174 (17)
Si20.14914 (9)−0.00184 (5)0.27572 (4)0.02178 (17)
F10.20462 (15)0.44023 (10)0.91521 (7)0.0292 (3)
F20.05148 (16)−0.13240 (9)0.28033 (7)0.0329 (3)
O70.5783 (3)0.43277 (19)0.53749 (11)0.0423 (6)
O27−0.1288 (3)0.40525 (16)0.50475 (12)0.0451 (6)
H7A0.660 (6)0.441 (4)0.525 (3)0.026*0.50
H27A−0.074 (5)0.456 (3)0.492 (3)0.025*0.50
H7B0.519 (6)0.447 (4)0.510 (3)0.017*0.50
H27B−0.213 (6)0.408 (3)0.520 (2)0.015*0.50
C10.2944 (3)0.48053 (18)0.77482 (12)0.0195 (5)
C20.3008 (3)0.36675 (18)0.75402 (12)0.0233 (5)
H2A0.26340.31770.78550.028*
C30.3610 (3)0.32447 (18)0.68797 (13)0.0259 (6)
H3A0.36190.24750.67550.031*
C40.4204 (3)0.39537 (19)0.64003 (12)0.0215 (5)
C50.4156 (3)0.50816 (19)0.65974 (13)0.0296 (6)
H5A0.45510.55730.62860.035*
C60.3529 (3)0.54993 (18)0.72536 (13)0.0280 (6)
H6A0.34980.62630.73670.034*
C70.4856 (3)0.3454 (2)0.56882 (13)0.0325 (6)
H7D0.56210.30550.58820.039*
H7C0.38560.28620.52340.039*
C11−0.0251 (3)0.51978 (18)0.82264 (13)0.0239 (5)
C12−0.1355 (3)0.38556 (19)0.78331 (14)0.0375 (6)
H12A−0.25660.37450.76010.056*
H12B−0.12660.34720.82580.056*
H12C−0.09230.35130.73950.056*
C13−0.0466 (3)0.5789 (2)0.75359 (14)0.0400 (7)
H13A−0.16870.56640.73170.060*
H13B−0.00530.54440.70910.060*
H13C0.02070.66290.77690.060*
C14−0.0985 (3)0.5731 (2)0.89152 (14)0.0403 (7)
H14A−0.22190.55560.86810.060*
H14B−0.03730.65790.91330.060*
H14C−0.08230.53910.93610.060*
C150.3711 (3)0.68180 (18)0.94140 (13)0.0271 (6)
C160.5595 (3)0.6837 (2)0.94900 (14)0.0395 (6)
H16A0.64190.75390.99300.059*
H16B0.58500.68400.89670.059*
H16C0.56910.61420.96200.059*
C170.3552 (3)0.78949 (19)0.91528 (14)0.0437 (7)
H17A0.44390.86140.95510.066*
H17B0.24070.79230.91400.066*
H17C0.37100.78200.86040.066*
C180.3433 (3)0.6950 (2)1.02885 (13)0.0445 (7)
H18A0.42520.77031.06760.067*
H18B0.36200.63171.04790.067*
H18C0.22510.69141.02560.067*
C210.0847 (3)0.09866 (18)0.35247 (12)0.0212 (5)
C22−0.0082 (3)0.05502 (19)0.40438 (13)0.0285 (6)
H22−0.0377−0.02510.40020.034*
C23−0.0583 (3)0.1263 (2)0.46184 (13)0.0319 (6)
H23−0.11940.09350.49570.038*
C24−0.0194 (3)0.24503 (19)0.47002 (13)0.0251 (6)
C250.0705 (3)0.29039 (19)0.41831 (13)0.0320 (6)
H250.09650.37000.42180.038*
C260.1225 (3)0.21910 (18)0.36147 (12)0.0276 (6)
H260.18460.25250.32810.033*
C27−0.0724 (3)0.3224 (2)0.53407 (14)0.0399 (7)
H27C−0.16660.27210.54950.048*
H27D0.02720.36480.58430.048*
C310.0532 (3)−0.00873 (18)0.16479 (12)0.0264 (5)
C320.1582 (3)0.0998 (2)0.14295 (13)0.0487 (7)
H32A0.27720.10340.14970.073*
H32B0.15810.17130.17980.073*
H32C0.10460.09220.08580.073*
C33−0.1372 (3)−0.0130 (2)0.15359 (14)0.0466 (7)
H33A−0.2040−0.08030.16710.070*
H33B−0.1898−0.02030.09630.070*
H33C−0.13630.05890.19040.070*
C340.0475 (3)−0.1222 (2)0.10223 (13)0.0426 (7)
H34A−0.0180−0.19080.11490.064*
H34B0.1654−0.12000.10670.064*
H34C−0.0084−0.12680.04610.064*
C350.3920 (3)0.02815 (18)0.31370 (12)0.0226 (5)
C360.4563 (3)−0.0465 (2)0.25128 (14)0.0396 (7)
H36A0.3878−0.12950.23810.059*
H36B0.5781−0.03210.27580.059*
H36C0.4432−0.02470.20070.059*
C370.5025 (3)0.15982 (19)0.33339 (14)0.0395 (6)
H37A0.46360.20780.37250.059*
H37B0.48880.18060.28250.059*
H37C0.62430.17360.35750.059*
C380.4238 (3)−0.0041 (2)0.39535 (14)0.0447 (7)
H38A0.3555−0.08650.38420.067*
H38B0.38940.04450.43630.067*
H38C0.54660.00980.41660.067*
U11U22U33U12U13U23
Si10.0253 (4)0.0237 (4)0.0206 (4)0.0121 (3)0.0116 (3)0.0066 (3)
Si20.0236 (4)0.0189 (4)0.0209 (4)0.0072 (3)0.0062 (3)0.0039 (3)
F10.0361 (9)0.0327 (7)0.0269 (7)0.0165 (7)0.0139 (7)0.0150 (6)
F20.0346 (9)0.0207 (7)0.0438 (8)0.0079 (7)0.0158 (7)0.0103 (6)
O70.0370 (15)0.0663 (13)0.0395 (13)0.0232 (11)0.0288 (11)0.0246 (10)
O270.0452 (14)0.0305 (12)0.0754 (15)0.0197 (11)0.0415 (12)0.0170 (10)
C10.0163 (13)0.0234 (13)0.0196 (12)0.0072 (11)0.0062 (11)0.0073 (10)
C20.0263 (15)0.0230 (13)0.0254 (13)0.0091 (12)0.0149 (12)0.0101 (11)
C30.0264 (15)0.0213 (13)0.0298 (14)0.0102 (12)0.0106 (12)0.0035 (11)
C40.0155 (14)0.0312 (14)0.0190 (12)0.0107 (11)0.0070 (11)0.0053 (11)
C50.0349 (16)0.0336 (15)0.0322 (14)0.0161 (13)0.0205 (13)0.0182 (12)
C60.0383 (17)0.0234 (13)0.0294 (14)0.0173 (13)0.0163 (13)0.0076 (11)
C70.0378 (17)0.0440 (16)0.0269 (14)0.0253 (14)0.0162 (13)0.0121 (12)
C110.0287 (15)0.0222 (13)0.0260 (13)0.0137 (12)0.0116 (12)0.0084 (11)
C120.0235 (16)0.0381 (16)0.0454 (16)0.0085 (13)0.0065 (13)0.0101 (13)
C130.0327 (17)0.0486 (17)0.0431 (16)0.0206 (14)0.0060 (14)0.0189 (14)
C140.0360 (18)0.0456 (16)0.0499 (17)0.0237 (14)0.0239 (15)0.0130 (13)
C150.0295 (15)0.0238 (13)0.0273 (14)0.0099 (12)0.0124 (12)0.0031 (11)
C160.0307 (17)0.0383 (15)0.0377 (15)0.0089 (13)0.0068 (13)−0.0017 (12)
C170.0462 (19)0.0288 (15)0.0499 (17)0.0106 (14)0.0173 (15)0.0025 (13)
C180.0477 (19)0.0450 (17)0.0286 (15)0.0115 (15)0.0133 (14)−0.0050 (12)
C210.0217 (14)0.0258 (14)0.0173 (12)0.0109 (11)0.0037 (11)0.0077 (10)
C220.0283 (15)0.0249 (13)0.0330 (14)0.0096 (12)0.0092 (13)0.0103 (12)
C230.0263 (16)0.0484 (17)0.0275 (14)0.0163 (13)0.0134 (13)0.0158 (13)
C240.0247 (15)0.0349 (15)0.0202 (13)0.0178 (12)0.0072 (12)0.0071 (11)
C250.0435 (17)0.0268 (14)0.0307 (14)0.0189 (13)0.0142 (13)0.0070 (12)
C260.0383 (17)0.0277 (15)0.0234 (13)0.0133 (13)0.0169 (13)0.0116 (11)
C270.0365 (18)0.0518 (17)0.0350 (16)0.0263 (15)0.0126 (14)0.0051 (13)
C310.0300 (15)0.0261 (14)0.0183 (12)0.0101 (12)0.0023 (11)0.0028 (10)
C320.067 (2)0.0525 (18)0.0264 (15)0.0215 (16)0.0095 (15)0.0157 (13)
C330.0416 (18)0.0554 (18)0.0326 (15)0.0267 (15)−0.0075 (14)−0.0004 (13)
C340.0434 (18)0.0502 (17)0.0240 (14)0.0211 (15)−0.0011 (13)−0.0029 (12)
C350.0231 (15)0.0227 (13)0.0200 (13)0.0063 (12)0.0067 (12)0.0055 (10)
C360.0311 (17)0.0461 (16)0.0456 (16)0.0189 (14)0.0148 (14)0.0123 (13)
C370.0265 (16)0.0366 (16)0.0409 (16)0.0061 (13)−0.0006 (13)0.0022 (12)
C380.0347 (18)0.0645 (19)0.0401 (16)0.0214 (15)0.0070 (14)0.0247 (14)
Si1—F11.6131 (11)C16—H16C0.9600
Si1—C11.8677 (19)C17—H17A0.9600
Si1—C151.885 (2)C17—H17B0.9600
Si1—C111.886 (2)C17—H17C0.9600
Si2—F21.6072 (11)C18—H18A0.9600
Si2—C211.865 (2)C18—H18B0.9600
Si2—C311.876 (2)C18—H18C0.9600
Si2—C351.885 (2)C21—C221.389 (2)
O7—C71.412 (3)C21—C261.394 (3)
O7—H7A0.74 (5)C22—C231.377 (3)
O7—H7B0.70 (4)C22—H220.9300
O27—C271.402 (3)C23—C241.376 (3)
O27—H27A0.76 (3)C23—H230.9300
O27—H27B0.80 (4)C24—C251.380 (3)
C1—C21.392 (3)C24—C271.506 (3)
C1—C61.396 (2)C25—C261.381 (3)
C2—C31.382 (2)C25—H250.9300
C2—H2A0.9300C26—H260.9300
C3—C41.389 (2)C27—H27C0.9700
C3—H3A0.9300C27—H27D0.9700
C4—C51.374 (3)C31—C341.536 (3)
C4—C71.508 (3)C31—C321.540 (3)
C5—C61.387 (3)C31—C331.540 (3)
C5—H5A0.9300C32—H32A0.9600
C6—H6A0.9300C32—H32B0.9600
C7—H7D0.9700C32—H32C0.9600
C7—H7C0.9700C33—H33A0.9600
C11—C141.538 (3)C33—H33B0.9600
C11—C131.538 (3)C33—H33C0.9600
C11—C121.541 (3)C34—H34A0.9600
C12—H12A0.9600C34—H34B0.9600
C12—H12B0.9600C34—H34C0.9600
C12—H12C0.9600C35—C371.530 (3)
C13—H13A0.9600C35—C361.531 (3)
C13—H13B0.9600C35—C381.535 (2)
C13—H13C0.9600C36—H36A0.9600
C14—H14A0.9600C36—H36B0.9600
C14—H14B0.9600C36—H36C0.9600
C14—H14C0.9600C37—H37A0.9600
C15—C171.537 (3)C37—H37B0.9600
C15—C181.538 (3)C37—H37C0.9600
C15—C161.540 (3)C38—H38A0.9600
C16—H16A0.9600C38—H38B0.9600
C16—H16B0.9600C38—H38C0.9600
F1—Si1—C1104.81 (8)C15—C17—H17C109.5
F1—Si1—C15104.91 (8)H17A—C17—H17C109.5
C1—Si1—C15112.43 (9)H17B—C17—H17C109.5
F1—Si1—C11105.55 (8)C15—C18—H18A109.5
C1—Si1—C11109.86 (9)C15—C18—H18B109.5
C15—Si1—C11118.05 (10)H18A—C18—H18B109.5
F2—Si2—C21104.23 (8)C15—C18—H18C109.5
F2—Si2—C31105.14 (8)H18A—C18—H18C109.5
C21—Si2—C31111.74 (9)H18B—C18—H18C109.5
F2—Si2—C35105.42 (8)C22—C21—C26115.72 (18)
C21—Si2—C35110.49 (10)C22—C21—Si2120.48 (15)
C31—Si2—C35118.46 (9)C26—C21—Si2123.79 (14)
C7—O7—H7A131 (3)C23—C22—C21122.27 (19)
C7—O7—H7B111 (4)C23—C22—H22118.9
H7A—O7—H7B109 (5)C21—C22—H22118.9
C27—O27—H27A127 (4)C24—C23—C22121.22 (18)
C27—O27—H27B108 (3)C24—C23—H23119.4
H27A—O27—H27B122 (5)C22—C23—H23119.4
C2—C1—C6116.25 (17)C23—C24—C25117.76 (19)
C2—C1—Si1120.95 (14)C23—C24—C27120.68 (18)
C6—C1—Si1122.80 (15)C25—C24—C27121.56 (19)
C3—C2—C1122.00 (17)C24—C25—C26120.90 (19)
C3—C2—H2A119.0C24—C25—H25119.5
C1—C2—H2A119.0C26—C25—H25119.5
C2—C3—C4120.86 (19)C25—C26—C21122.12 (18)
C2—C3—H3A119.6C25—C26—H26118.9
C4—C3—H3A119.6C21—C26—H26118.9
C5—C4—C3118.02 (17)O27—C27—C24112.91 (17)
C5—C4—C7123.09 (17)O27—C27—H27C109.0
C3—C4—C7118.89 (18)C24—C27—H27C109.0
C4—C5—C6121.05 (18)O27—C27—H27D109.0
C4—C5—H5A119.5C24—C27—H27D109.0
C6—C5—H5A119.5H27C—C27—H27D107.8
C5—C6—C1121.81 (19)C34—C31—C32108.43 (17)
C5—C6—H6A119.1C34—C31—C33108.07 (19)
C1—C6—H6A119.1C32—C31—C33108.64 (18)
O7—C7—C4113.41 (18)C34—C31—Si2110.55 (14)
O7—C7—H7D108.9C32—C31—Si2112.49 (15)
C4—C7—H7D108.9C33—C31—Si2108.54 (14)
O7—C7—H7C108.9C31—C32—H32A109.5
C4—C7—H7C108.9C31—C32—H32B109.5
H7D—C7—H7C107.7H32A—C32—H32B109.5
C14—C11—C13108.45 (17)C31—C32—H32C109.5
C14—C11—C12108.59 (17)H32A—C32—H32C109.5
C13—C11—C12108.09 (18)H32B—C32—H32C109.5
C14—C11—Si1113.09 (15)C31—C33—H33A109.5
C13—C11—Si1111.37 (14)C31—C33—H33B109.5
C12—C11—Si1107.10 (14)H33A—C33—H33B109.5
C11—C12—H12A109.5C31—C33—H33C109.5
C11—C12—H12B109.5H33A—C33—H33C109.5
H12A—C12—H12B109.5H33B—C33—H33C109.5
C11—C12—H12C109.5C31—C34—H34A109.5
H12A—C12—H12C109.5C31—C34—H34B109.5
H12B—C12—H12C109.5H34A—C34—H34B109.5
C11—C13—H13A109.5C31—C34—H34C109.5
C11—C13—H13B109.5H34A—C34—H34C109.5
H13A—C13—H13B109.5H34B—C34—H34C109.5
C11—C13—H13C109.5C37—C35—C36108.51 (16)
H13A—C13—H13C109.5C37—C35—C38108.29 (18)
H13B—C13—H13C109.5C36—C35—C38108.12 (17)
C11—C14—H14A109.5C37—C35—Si2111.45 (15)
C11—C14—H14B109.5C36—C35—Si2113.31 (15)
H14A—C14—H14B109.5C38—C35—Si2106.99 (13)
C11—C14—H14C109.5C35—C36—H36A109.5
H14A—C14—H14C109.5C35—C36—H36B109.5
H14B—C14—H14C109.5H36A—C36—H36B109.5
C17—C15—C18108.54 (17)C35—C36—H36C109.5
C17—C15—C16108.67 (18)H36A—C36—H36C109.5
C18—C15—C16107.65 (19)H36B—C36—H36C109.5
C17—C15—Si1113.11 (16)C35—C37—H37A109.5
C18—C15—Si1110.18 (14)C35—C37—H37B109.5
C16—C15—Si1108.54 (15)H37A—C37—H37B109.5
C15—C16—H16A109.5C35—C37—H37C109.5
C15—C16—H16B109.5H37A—C37—H37C109.5
H16A—C16—H16B109.5H37B—C37—H37C109.5
C15—C16—H16C109.5C35—C38—H38A109.5
H16A—C16—H16C109.5C35—C38—H38B109.5
H16B—C16—H16C109.5H38A—C38—H38B109.5
C15—C17—H17A109.5C35—C38—H38C109.5
C15—C17—H17B109.5H38A—C38—H38C109.5
H17A—C17—H17B109.5H38B—C38—H38C109.5
F1—Si1—C1—C213.58 (19)F2—Si2—C21—C227.40 (19)
C15—Si1—C1—C2126.97 (18)C31—Si2—C21—C22120.43 (18)
C11—Si1—C1—C2−99.40 (18)C35—Si2—C21—C22−105.41 (18)
F1—Si1—C1—C6−166.59 (17)F2—Si2—C21—C26−171.79 (17)
C15—Si1—C1—C6−53.2 (2)C31—Si2—C21—C26−58.8 (2)
C11—Si1—C1—C680.4 (2)C35—Si2—C21—C2675.4 (2)
C6—C1—C2—C3−0.2 (3)C26—C21—C22—C23−0.7 (3)
Si1—C1—C2—C3179.61 (17)Si2—C21—C22—C23−179.99 (17)
C1—C2—C3—C40.9 (3)C21—C22—C23—C240.6 (3)
C2—C3—C4—C5−0.6 (3)C22—C23—C24—C250.4 (3)
C2—C3—C4—C7179.7 (2)C22—C23—C24—C27−179.0 (2)
C3—C4—C5—C6−0.2 (3)C23—C24—C25—C26−1.2 (3)
C7—C4—C5—C6179.4 (2)C27—C24—C25—C26178.2 (2)
C4—C5—C6—C10.9 (3)C24—C25—C26—C211.1 (3)
C2—C1—C6—C5−0.6 (3)C22—C21—C26—C25−0.1 (3)
Si1—C1—C6—C5179.53 (17)Si2—C21—C26—C25179.14 (18)
C5—C4—C7—O714.0 (3)C23—C24—C27—O27−141.9 (2)
C3—C4—C7—O7−166.4 (2)C25—C24—C27—O2738.8 (3)
F1—Si1—C11—C1472.77 (15)F2—Si2—C31—C34−46.43 (16)
C1—Si1—C11—C14−174.73 (14)C21—Si2—C31—C34−158.90 (15)
C15—Si1—C11—C14−44.03 (17)C35—Si2—C31—C3470.95 (17)
F1—Si1—C11—C13−164.80 (14)F2—Si2—C31—C32−167.81 (14)
C1—Si1—C11—C13−52.30 (17)C21—Si2—C31—C3279.72 (17)
C15—Si1—C11—C1378.40 (16)C35—Si2—C31—C32−50.43 (18)
F1—Si1—C11—C12−46.82 (14)F2—Si2—C31—C3371.93 (16)
C1—Si1—C11—C1265.68 (14)C21—Si2—C31—C33−40.53 (17)
C15—Si1—C11—C12−163.61 (12)C35—Si2—C31—C33−170.68 (14)
F1—Si1—C15—C17−162.48 (14)F2—Si2—C35—C37−166.07 (12)
C1—Si1—C15—C1784.19 (17)C21—Si2—C35—C37−54.03 (15)
C11—Si1—C15—C17−45.33 (17)C31—Si2—C35—C3776.69 (16)
F1—Si1—C15—C18−40.80 (17)F2—Si2—C35—C3671.20 (14)
C1—Si1—C15—C18−154.13 (14)C21—Si2—C35—C36−176.76 (13)
C11—Si1—C15—C1876.35 (17)C31—Si2—C35—C36−46.05 (17)
F1—Si1—C15—C1676.84 (14)F2—Si2—C35—C38−47.87 (15)
C1—Si1—C15—C16−36.49 (17)C21—Si2—C35—C3864.17 (15)
C11—Si1—C15—C16−166.01 (13)C31—Si2—C35—C38−165.11 (14)
D—H···AD—HH···AD···AD—H···A
O7—H7A···O27i0.74 (5)2.01 (5)2.707 (3)157 (5)
O27—H27A···O27ii0.76 (3)2.00 (3)2.727 (3)160 (5)
O7—H7B···O7iii0.70 (4)2.14 (3)2.787 (4)154 (5)
O27—H27B···O7iv0.80 (4)1.92 (5)2.707 (3)167 (4)
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯ADAD—H⋯A
O7—H7A⋯O27i0.74 (5)2.01 (5)2.707 (3)157 (5)
O27—H27A⋯O27ii0.76 (3)2.00 (3)2.727 (3)160 (5)
O7—H7B⋯O7iii0.70 (4)2.14 (3)2.787 (4)154 (5)
O27—H27B⋯O7iv0.80 (4)1.92 (5)2.707 (3)167 (4)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .

  2 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  para-Functionalized aryl-di-tert-butylfluorosilanes as potential labeling synthons for (18)F radiopharmaceuticals.

Authors:  Ljuba Iovkova; Björn Wängler; Esther Schirrmacher; Ralf Schirrmacher; Gabriele Quandt; Guido Boening; Markus Schürmann; Klaus Jurkschat
Journal:  Chemistry       Date:  2009       Impact factor: 5.236

  2 in total

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