9-(7-Fluoro-4-oxo-4H-chromen-3-yl)-3,3,6,6-tetra-methyl-2,3,4,5,6,7,8,9-octa-hydro-1H-xanthene-1,8-dione.

In the title compound, C(26)H(25)FO(5), the terminal cyclo-hexane rings of the xanthene ring system adopt half-boat conformations. The 4H-chromene ring make a dihedral angle of 87.94 (5)° with the xanthene ring system and its carbonyl O atom lies above the xanthene O atom. In the crystal, mol-ecules are linked into ribbons propagating along the a-axis direction by C-H⋯O hydrogen bonds. Aromatic π-π stacking inter-actions [centroid-centroid distance = 3.7367 (12) Å] also occur.

Related literature

For a related structure and background to the properties and applications of xanthene derivatives, see: Mehdi et al. (2011 ▶). For ring conformations, see: Cremer & Pople (1975 ▶). For reference bond-length data, see: Allen et al. (1987 ▶).

Experimental

Crystal data

C26H25FO5

M = 436.46

Monoclinic,

a = 6.9475 (8) Å

b = 18.596 (2) Å

c = 17.559 (2) Å

β = 93.658 (2)°

V = 2264.0 (5) Å3

Z = 4

Mo Kα radiation

μ = 0.09 mm−1

T = 296 K

0.51 × 0.38 × 0.24 mm

Data collection

Bruker SMART APEXII DUO CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2009 ▶) T min = 0.954, T max = 0.978

21143 measured reflections

6574 independent reflections

4315 reflections with I > 2σ(I)

R int = 0.034

Refinement

R[F 2 > 2σ(F 2)] = 0.052

wR(F 2) = 0.150

S = 1.03

6574 reflections

293 parameters

H-atom parameters constrained

Δρmax = 0.24 e Å−3

Δρmin = −0.22 e Å−3

Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: SAINT (Bruker, 2009 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811051749/hb6535sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811051749/hb6535Isup2.hkl

Supplementary material file. DOI: 10.1107/S1600536811051749/hb6535Isup3.cml

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

C26H25FO5	F(000) = 920
Mr = 436.46	Dx = 1.281 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5340 reflections
a = 6.9475 (8) Å	θ = 2.5–29.3°
b = 18.596 (2) Å	µ = 0.09 mm−1
c = 17.559 (2) Å	T = 296 K
β = 93.658 (2)°	Block, colourless
V = 2264.0 (5) Å3	0.51 × 0.38 × 0.24 mm
Z = 4

Bruker SMART APEXII DUO CCD diffractometer	6574 independent reflections
Radiation source: fine-focus sealed tube	4315 reflections with I > 2σ(I)
graphite	Rint = 0.034
φ and ω scans	θmax = 30.0°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Bruker, 2009)	h = −9→9
Tmin = 0.954, Tmax = 0.978	k = −24→26
21143 measured reflections	l = −24→24

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.150	H-atom parameters constrained
S = 1.03	w = 1/[σ2(Fo2) + (0.0621P)2 + 0.5163P] where P = (Fo2 + 2Fc2)/3
6574 reflections	(Δ/σ)max = 0.001
293 parameters	Δρmax = 0.24 e Å−3
0 restraints	Δρmin = −0.22 e Å−3

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.

	x	y	z	Uiso*/Ueq
F1	0.0382 (3)	0.36000 (10)	1.08974 (8)	0.1100 (6)
O1	−0.25037 (17)	0.46251 (7)	0.86767 (7)	0.0562 (3)
O2	0.29558 (13)	0.54942 (6)	0.61824 (6)	0.0400 (2)
O3	0.26966 (16)	0.48699 (8)	0.77520 (7)	0.0599 (4)
O4	−0.21687 (16)	0.66244 (8)	0.73490 (8)	0.0624 (4)
O5	−0.25611 (16)	0.40218 (7)	0.62320 (8)	0.0626 (4)
C1	−0.2364 (2)	0.48941 (9)	0.79629 (10)	0.0467 (4)
H1A	−0.3502	0.5028	0.7692	0.056*
C2	−0.0864 (3)	0.43986 (9)	0.90721 (10)	0.0491 (4)
C3	−0.1071 (3)	0.41034 (11)	0.97924 (11)	0.0654 (5)
H3A	−0.2278	0.4060	0.9988	0.079*
C4	0.0547 (4)	0.38826 (12)	1.01969 (12)	0.0713 (6)
C5	0.2370 (4)	0.39369 (13)	0.99353 (12)	0.0735 (6)
H5A	0.3447	0.3783	1.0233	0.088*
C6	0.2552 (3)	0.42249 (11)	0.92207 (11)	0.0612 (5)
H6A	0.3768	0.4260	0.9031	0.073*
C7	0.0939 (2)	0.44652 (9)	0.87767 (9)	0.0462 (4)
C8	0.1115 (2)	0.47825 (9)	0.80182 (9)	0.0438 (4)
C9	−0.0704 (2)	0.49818 (9)	0.76172 (9)	0.0402 (3)
C10	−0.07496 (19)	0.52939 (8)	0.68162 (8)	0.0384 (3)
H10A	−0.2097	0.5382	0.6642	0.046*
C11	0.03248 (19)	0.59992 (8)	0.68064 (8)	0.0379 (3)
C12	−0.0564 (2)	0.66493 (9)	0.71072 (9)	0.0444 (4)
C13	0.0533 (2)	0.73440 (10)	0.70679 (12)	0.0560 (4)
H13A	0.0127	0.7664	0.7464	0.067*
H13B	0.0203	0.7571	0.6579	0.067*
C14	0.2729 (2)	0.72520 (9)	0.71637 (10)	0.0455 (4)
C15	0.3311 (2)	0.67069 (9)	0.65689 (9)	0.0426 (3)
H15A	0.3234	0.6934	0.6071	0.051*
H15B	0.4642	0.6566	0.6685	0.051*
C16	0.20817 (19)	0.60537 (8)	0.65378 (8)	0.0368 (3)
C17	0.18772 (19)	0.48912 (8)	0.60097 (8)	0.0354 (3)
C18	0.2912 (2)	0.43901 (8)	0.55154 (9)	0.0406 (3)
H18A	0.4275	0.4393	0.5674	0.049*
H18B	0.2773	0.4558	0.4992	0.049*
C19	0.2145 (2)	0.36198 (9)	0.55528 (9)	0.0423 (3)
C20	−0.0053 (2)	0.36473 (9)	0.54550 (10)	0.0474 (4)
H20A	−0.0428	0.3803	0.4940	0.057*
H20B	−0.0557	0.3166	0.5517	0.057*
C21	−0.0958 (2)	0.41424 (9)	0.60100 (9)	0.0420 (3)
C22	0.01150 (19)	0.47845 (8)	0.62625 (8)	0.0367 (3)
C23	0.3742 (3)	0.79644 (10)	0.70260 (13)	0.0630 (5)
H23A	0.3381	0.8132	0.6520	0.094*
H23B	0.5113	0.7895	0.7080	0.094*
H23C	0.3369	0.8313	0.7392	0.094*
C24	0.3312 (3)	0.69813 (11)	0.79693 (10)	0.0565 (5)
H24A	0.4685	0.6916	0.8022	0.085*
H24B	0.2684	0.6531	0.8054	0.085*
H24C	0.2934	0.7327	0.8337	0.085*
C25	0.2778 (3)	0.32836 (10)	0.63219 (11)	0.0555 (4)
H25A	0.2259	0.2806	0.6348	0.083*
H25B	0.2313	0.3571	0.6726	0.083*
H25C	0.4161	0.3262	0.6375	0.083*
C26	0.2962 (3)	0.31780 (11)	0.49147 (12)	0.0645 (5)
H26A	0.2458	0.2698	0.4925	0.097*
H26B	0.4343	0.3163	0.4987	0.097*
H26C	0.2600	0.3396	0.4431	0.097*

	U11	U22	U33	U12	U13	U23
F1	0.1401 (15)	0.1261 (13)	0.0658 (8)	0.0020 (11)	0.0231 (9)	0.0400 (8)
O1	0.0411 (6)	0.0750 (8)	0.0545 (7)	−0.0079 (6)	0.0193 (5)	0.0016 (6)
O2	0.0267 (5)	0.0454 (6)	0.0489 (6)	−0.0015 (4)	0.0099 (4)	−0.0043 (5)
O3	0.0291 (5)	0.0953 (10)	0.0562 (7)	0.0035 (6)	0.0084 (5)	0.0158 (7)
O4	0.0302 (6)	0.0743 (9)	0.0838 (9)	0.0068 (5)	0.0124 (6)	−0.0161 (7)
O5	0.0307 (6)	0.0703 (9)	0.0874 (10)	−0.0117 (5)	0.0089 (6)	−0.0105 (7)
C1	0.0328 (7)	0.0583 (10)	0.0502 (9)	−0.0036 (7)	0.0112 (6)	−0.0029 (7)
C2	0.0518 (9)	0.0494 (9)	0.0476 (9)	−0.0067 (7)	0.0141 (7)	−0.0031 (7)
C3	0.0758 (13)	0.0663 (13)	0.0569 (11)	−0.0111 (10)	0.0256 (10)	0.0029 (9)
C4	0.0988 (17)	0.0660 (13)	0.0505 (11)	−0.0014 (12)	0.0167 (11)	0.0118 (9)
C5	0.0844 (15)	0.0763 (15)	0.0595 (12)	0.0116 (12)	0.0021 (11)	0.0148 (10)
C6	0.0567 (11)	0.0704 (13)	0.0569 (11)	0.0086 (9)	0.0069 (8)	0.0093 (9)
C7	0.0450 (8)	0.0495 (9)	0.0449 (8)	−0.0012 (7)	0.0085 (7)	−0.0006 (7)
C8	0.0337 (7)	0.0547 (9)	0.0437 (8)	0.0001 (6)	0.0067 (6)	0.0002 (7)
C9	0.0281 (6)	0.0493 (9)	0.0441 (8)	−0.0018 (6)	0.0086 (6)	−0.0037 (7)
C10	0.0198 (6)	0.0507 (9)	0.0448 (8)	0.0012 (5)	0.0042 (5)	−0.0020 (6)
C11	0.0256 (6)	0.0478 (8)	0.0403 (7)	0.0026 (6)	0.0022 (5)	−0.0018 (6)
C12	0.0278 (7)	0.0563 (10)	0.0487 (9)	0.0072 (6)	−0.0007 (6)	−0.0057 (7)
C13	0.0418 (9)	0.0516 (10)	0.0745 (12)	0.0079 (7)	0.0023 (8)	−0.0099 (9)
C14	0.0379 (8)	0.0469 (9)	0.0517 (9)	−0.0029 (6)	0.0044 (6)	−0.0069 (7)
C15	0.0324 (7)	0.0503 (9)	0.0456 (8)	−0.0048 (6)	0.0070 (6)	−0.0011 (7)
C16	0.0278 (6)	0.0450 (8)	0.0377 (7)	0.0022 (6)	0.0028 (5)	−0.0009 (6)
C17	0.0280 (6)	0.0414 (8)	0.0367 (7)	0.0003 (5)	0.0019 (5)	0.0020 (6)
C18	0.0342 (7)	0.0466 (8)	0.0418 (8)	0.0029 (6)	0.0088 (6)	0.0014 (6)
C19	0.0376 (7)	0.0465 (9)	0.0430 (8)	0.0029 (6)	0.0054 (6)	0.0001 (7)
C20	0.0415 (8)	0.0520 (10)	0.0479 (9)	−0.0032 (7)	−0.0034 (7)	−0.0050 (7)
C21	0.0281 (7)	0.0509 (9)	0.0461 (8)	0.0004 (6)	−0.0031 (6)	0.0030 (7)
C22	0.0250 (6)	0.0462 (8)	0.0388 (7)	0.0018 (5)	0.0009 (5)	0.0010 (6)
C23	0.0614 (12)	0.0505 (11)	0.0772 (13)	−0.0082 (8)	0.0057 (10)	−0.0060 (9)
C24	0.0476 (10)	0.0734 (12)	0.0486 (9)	−0.0106 (8)	0.0038 (7)	−0.0075 (9)
C25	0.0487 (9)	0.0567 (11)	0.0611 (11)	0.0096 (8)	0.0034 (8)	0.0174 (9)
C26	0.0683 (12)	0.0607 (12)	0.0662 (12)	0.0054 (9)	0.0177 (10)	−0.0122 (9)

F1—C4	1.349 (2)	C14—C23	1.527 (2)
O1—C1	1.359 (2)	C14—C15	1.528 (2)
O1—C2	1.363 (2)	C14—C24	1.532 (2)
O2—C17	1.3719 (18)	C15—C16	1.484 (2)
O2—C16	1.3744 (17)	C15—H15A	0.9700
O3—C8	1.2317 (18)	C15—H15B	0.9700
O4—C12	1.2192 (18)	C17—C22	1.3433 (18)
O5—C21	1.2243 (18)	C17—C18	1.489 (2)
C1—C9	1.3470 (19)	C18—C19	1.531 (2)
C1—H1A	0.9300	C18—H18A	0.9700
C2—C7	1.391 (2)	C18—H18B	0.9700
C2—C3	1.395 (3)	C19—C20	1.526 (2)
C3—C4	1.354 (3)	C19—C25	1.527 (2)
C3—H3A	0.9300	C19—C26	1.528 (2)
C4—C5	1.378 (3)	C20—C21	1.507 (2)
C5—C6	1.378 (3)	C20—H20A	0.9700
C5—H5A	0.9300	C20—H20B	0.9700
C6—C7	1.397 (3)	C21—C22	1.461 (2)
C6—H6A	0.9300	C23—H23A	0.9600
C7—C8	1.469 (2)	C23—H23B	0.9600
C8—C9	1.455 (2)	C23—H23C	0.9600
C9—C10	1.520 (2)	C24—H24A	0.9600
C10—C22	1.509 (2)	C24—H24B	0.9600
C10—C11	1.510 (2)	C24—H24C	0.9600
C10—H10A	0.9800	C25—H25A	0.9600
C11—C16	1.3402 (18)	C25—H25B	0.9600
C11—C12	1.471 (2)	C25—H25C	0.9600
C12—C13	1.503 (3)	C26—H26A	0.9600
C13—C14	1.534 (2)	C26—H26B	0.9600
C13—H13A	0.9700	C26—H26C	0.9600
C13—H13B	0.9700
C1—O1—C2	118.51 (12)	C14—C15—H15B	109.0
C17—O2—C16	117.92 (10)	H15A—C15—H15B	107.8
C9—C1—O1	125.01 (16)	C11—C16—O2	122.77 (14)
C9—C1—H1A	117.5	C11—C16—C15	125.73 (14)
O1—C1—H1A	117.5	O2—C16—C15	111.49 (11)
O1—C2—C7	121.73 (15)	C22—C17—O2	122.97 (13)
O1—C2—C3	116.91 (16)	C22—C17—C18	125.75 (14)
C7—C2—C3	121.36 (18)	O2—C17—C18	111.29 (11)
C4—C3—C2	117.71 (19)	C17—C18—C19	112.21 (12)
C4—C3—H3A	121.1	C17—C18—H18A	109.2
C2—C3—H3A	121.1	C19—C18—H18A	109.2
F1—C4—C3	118.7 (2)	C17—C18—H18B	109.2
F1—C4—C5	117.8 (2)	C19—C18—H18B	109.2
C3—C4—C5	123.53 (19)	H18A—C18—H18B	107.9
C6—C5—C4	118.2 (2)	C20—C19—C25	110.06 (13)
C6—C5—H5A	120.9	C20—C19—C26	110.59 (15)
C4—C5—H5A	120.9	C25—C19—C26	109.19 (15)
C5—C6—C7	121.02 (19)	C20—C19—C18	108.20 (13)
C5—C6—H6A	119.5	C25—C19—C18	109.84 (14)
C7—C6—H6A	119.5	C26—C19—C18	108.95 (13)
C2—C7—C6	118.21 (16)	C21—C20—C19	113.78 (13)
C2—C7—C8	120.19 (15)	C21—C20—H20A	108.8
C6—C7—C8	121.60 (15)	C19—C20—H20A	108.8
O3—C8—C9	123.44 (15)	C21—C20—H20B	108.8
O3—C8—C7	121.67 (15)	C19—C20—H20B	108.8
C9—C8—C7	114.89 (13)	H20A—C20—H20B	107.7
C1—C9—C8	119.57 (15)	O5—C21—C22	120.65 (14)
C1—C9—C10	119.69 (14)	O5—C21—C20	121.30 (15)
C8—C9—C10	120.73 (12)	C22—C21—C20	118.03 (13)
C22—C10—C11	108.70 (11)	C17—C22—C21	118.57 (13)
C22—C10—C9	111.76 (13)	C17—C22—C10	121.92 (13)
C11—C10—C9	111.17 (13)	C21—C22—C10	119.48 (12)
C22—C10—H10A	108.4	C14—C23—H23A	109.5
C11—C10—H10A	108.4	C14—C23—H23B	109.5
C9—C10—H10A	108.4	H23A—C23—H23B	109.5
C16—C11—C12	118.48 (14)	C14—C23—H23C	109.5
C16—C11—C10	122.12 (13)	H23A—C23—H23C	109.5
C12—C11—C10	119.40 (12)	H23B—C23—H23C	109.5
O4—C12—C11	120.52 (15)	C14—C24—H24A	109.5
O4—C12—C13	121.74 (15)	C14—C24—H24B	109.5
C11—C12—C13	117.66 (13)	H24A—C24—H24B	109.5
C12—C13—C14	113.74 (14)	C14—C24—H24C	109.5
C12—C13—H13A	108.8	H24A—C24—H24C	109.5
C14—C13—H13A	108.8	H24B—C24—H24C	109.5
C12—C13—H13B	108.8	C19—C25—H25A	109.5
C14—C13—H13B	108.8	C19—C25—H25B	109.5
H13A—C13—H13B	107.7	H25A—C25—H25B	109.5
C23—C14—C15	108.81 (14)	C19—C25—H25C	109.5
C23—C14—C24	109.51 (15)	H25A—C25—H25C	109.5
C15—C14—C24	110.32 (14)	H25B—C25—H25C	109.5
C23—C14—C13	110.57 (15)	C19—C26—H26A	109.5
C15—C14—C13	107.69 (13)	C19—C26—H26B	109.5
C24—C14—C13	109.92 (14)	H26A—C26—H26B	109.5
C16—C15—C14	113.03 (12)	C19—C26—H26C	109.5
C16—C15—H15A	109.0	H26A—C26—H26C	109.5
C14—C15—H15A	109.0	H26B—C26—H26C	109.5
C16—C15—H15B	109.0
C2—O1—C1—C9	−2.6 (3)	C11—C12—C13—C14	−33.4 (2)
C1—O1—C2—C7	2.8 (2)	C12—C13—C14—C23	173.48 (16)
C1—O1—C2—C3	−177.91 (16)	C12—C13—C14—C15	54.7 (2)
O1—C2—C3—C4	−179.30 (18)	C12—C13—C14—C24	−65.50 (19)
C7—C2—C3—C4	0.0 (3)	C23—C14—C15—C16	−166.89 (15)
C2—C3—C4—F1	179.54 (19)	C24—C14—C15—C16	72.95 (17)
C2—C3—C4—C5	0.2 (3)	C13—C14—C15—C16	−47.01 (19)
F1—C4—C5—C6	−180.0 (2)	C12—C11—C16—O2	−173.90 (13)
C3—C4—C5—C6	−0.7 (4)	C10—C11—C16—O2	6.7 (2)
C4—C5—C6—C7	0.9 (3)	C12—C11—C16—C15	5.1 (2)
O1—C2—C7—C6	179.51 (17)	C10—C11—C16—C15	−174.23 (14)
C3—C2—C7—C6	0.3 (3)	C17—O2—C16—C11	8.7 (2)
O1—C2—C7—C8	−0.4 (3)	C17—O2—C16—C15	−170.42 (12)
C3—C2—C7—C8	−179.60 (17)	C14—C15—C16—C11	19.2 (2)
C5—C6—C7—C2	−0.7 (3)	C14—C15—C16—O2	−161.68 (13)
C5—C6—C7—C8	179.15 (19)	C16—O2—C17—C22	−9.4 (2)
C2—C7—C8—O3	177.60 (17)	C16—O2—C17—C18	170.45 (12)
C6—C7—C8—O3	−2.2 (3)	C22—C17—C18—C19	−21.3 (2)
C2—C7—C8—C9	−2.3 (2)	O2—C17—C18—C19	158.87 (12)
C6—C7—C8—C9	177.86 (17)	C17—C18—C19—C20	47.87 (17)
O1—C1—C9—C8	−0.2 (3)	C17—C18—C19—C25	−72.29 (16)
O1—C1—C9—C10	−179.64 (15)	C17—C18—C19—C26	168.15 (14)
O3—C8—C9—C1	−177.33 (17)	C25—C19—C20—C21	65.87 (19)
C7—C8—C9—C1	2.6 (2)	C26—C19—C20—C21	−173.42 (15)
O3—C8—C9—C10	2.1 (3)	C18—C19—C20—C21	−54.16 (18)
C7—C8—C9—C10	−178.01 (14)	C19—C20—C21—O5	−149.34 (16)
C1—C9—C10—C22	−121.20 (15)	C19—C20—C21—C22	32.2 (2)
C8—C9—C10—C22	59.36 (18)	O2—C17—C22—C21	176.60 (13)
C1—C9—C10—C11	117.14 (16)	C18—C17—C22—C21	−3.2 (2)
C8—C9—C10—C11	−62.29 (18)	O2—C17—C22—C10	−5.4 (2)
C22—C10—C11—C16	−18.99 (19)	C18—C17—C22—C10	174.73 (14)
C9—C10—C11—C16	104.44 (16)	O5—C21—C22—C17	179.38 (15)
C22—C10—C11—C12	161.65 (13)	C20—C21—C22—C17	−2.2 (2)
C9—C10—C11—C12	−74.93 (16)	O5—C21—C22—C10	1.4 (2)
C16—C11—C12—O4	179.18 (16)	C20—C21—C22—C10	179.80 (13)
C10—C11—C12—O4	−1.4 (2)	C11—C10—C22—C17	18.33 (19)
C16—C11—C12—C13	2.2 (2)	C9—C10—C22—C17	−104.74 (16)
C10—C11—C12—C13	−178.44 (15)	C11—C10—C22—C21	−163.73 (13)
O4—C12—C13—C14	149.58 (17)	C9—C10—C22—C21	73.20 (17)

D—H···A	D—H	H···A	D···A	D—H···A
C15—H15B···O4i	0.97	2.44	3.3487 (19)	156
C18—H18A···O5i	0.97	2.45	3.3821 (19)	162

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C15—H15B⋯O4i	0.97	2.44	3.3487 (19)	156
C18—H18A⋯O5i	0.97	2.45	3.3821 (19)	162

Symmetry code: (i) .