[4-(2-tert-But-oxy-2-oxoeth-oxy)naph-thalen-1-yl]diphenyl-sulfonium trifluoro-methane-sulfonate.

In the cation of the title salt, C(28)H(27)O(3)S(+)·CF(3)O(3)S(-), the dihedral angle between the naphthalene ring system and the -C(=O)-O- plane is 80.39 (9)°. The three methyl groups of the tert-butyl group are each disordered over two orientations with an occupancy ratio of 0.712 (18):0.288 (18).

Related literature

For the reactivity of sulfonium trifluoro­methane­sulfonate derivatives, see: McGarrigle et al. (2011 ▶); Scalfani & Bailey (2011 ▶); Yoshida (2012 ▶); Zhang et al. (2011 ▶).

Experimental

Crystal data

C28H27O3S+·CF3O3S−

M = 592.63

Monoclinic,

a = 10.8944 (2) Å

b = 17.2170 (4) Å

c = 15.6759 (2) Å

β = 102.834 (1)°

V = 2866.85 (9) Å3

Z = 4

Mo Kα radiation

μ = 0.25 mm−1

T = 296 K

0.2 × 0.2 × 0.18 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2002 ▶) T min = 0.948, T max = 0.955

54159 measured reflections

7117 independent reflections

4143 reflections with I > 2σ(I)

R int = 0.053

Refinement

R[F 2 > 2σ(F 2)] = 0.061

wR(F 2) = 0.214

S = 0.99

7117 reflections

386 parameters

2 restraints

H-atom parameters constrained

Δρmax = 1.00 e Å−3

Δρmin = −0.52 e Å−3

Data collection: SMART (Bruker, 2002 ▶); cell refinement: SAINT (Bruker, 2002 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812022167/tk5097sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812022167/tk5097Isup2.hkl

Supplementary material file. DOI: 10.1107/S1600536812022167/tk5097Isup3.cml

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

C28H27O3S+·CF3O3S−	F(000) = 1232
Mr = 592.63	Dx = 1.373 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 8179 reflections
a = 10.8944 (2) Å	θ = 2.3–21.0°
b = 17.2170 (4) Å	µ = 0.25 mm−1
c = 15.6759 (2) Å	T = 296 K
β = 102.834 (1)°	Block, colourless
V = 2866.85 (9) Å3	0.2 × 0.2 × 0.18 mm
Z = 4

Bruker SMART CCD area-detector diffractometer	4143 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.053
φ and ω scans	θmax = 28.3°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 2002)	h = −14→14
Tmin = 0.948, Tmax = 0.955	k = −22→22
54159 measured reflections	l = −20→20
7117 independent reflections

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)] = 0.061	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.214	H-atom parameters constrained
S = 0.99	w = 1/[σ2(Fo2) + (0.1305P)2] where P = (Fo2 + 2Fc2)/3
7117 reflections	(Δ/σ)max < 0.001
386 parameters	Δρmax = 1.00 e Å−3
2 restraints	Δρmin = −0.52 e Å−3

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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 > 2σ(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	Occ. (<1)
S1	0.51134 (6)	0.58122 (4)	0.25392 (4)	0.0433 (2)
C2	0.5691 (2)	0.48539 (13)	0.24627 (16)	0.0423 (5)
C3	0.6624 (2)	0.45595 (15)	0.30911 (16)	0.0459 (6)
H3	0.6951	0.4852	0.3588	0.055*
C4	0.7102 (2)	0.38210 (14)	0.30021 (16)	0.0470 (6)
H4	0.7738	0.3621	0.3444	0.056*
C5	0.6643 (2)	0.33901 (14)	0.22702 (16)	0.0420 (5)
C6	0.5652 (2)	0.36839 (14)	0.15857 (15)	0.0421 (5)
C7	0.5173 (3)	0.32518 (16)	0.08237 (17)	0.0541 (7)
H7	0.5494	0.276	0.076	0.065*
C8	0.4246 (3)	0.35455 (18)	0.01797 (19)	0.0667 (8)
H8	0.3942	0.3256	−0.0323	0.08*
C9	0.3747 (3)	0.42793 (18)	0.02682 (19)	0.0670 (9)
H9	0.31	0.447	−0.0172	0.08*
C10	0.4193 (3)	0.47162 (16)	0.09856 (18)	0.0577 (7)
H10	0.3863	0.5209	0.1027	0.069*
C11	0.5162 (2)	0.44323 (14)	0.16789 (15)	0.0419 (5)
O12	0.70423 (17)	0.26675 (10)	0.21223 (11)	0.0547 (5)
C13	0.8178 (3)	0.23953 (18)	0.26762 (17)	0.0567 (7)
H13A	0.8795	0.281	0.2763	0.068*
H13B	0.8507	0.197	0.2388	0.068*
C14	0.8005 (3)	0.21225 (15)	0.35539 (18)	0.0524 (6)
O15	0.91239 (17)	0.20395 (12)	0.40756 (12)	0.0601 (5)
C16	0.9319 (3)	0.1729 (2)	0.49902 (19)	0.0689 (9)
C17	1.0716 (6)	0.1585 (9)	0.5257 (5)	0.103 (3)	0.712 (18)
H17A	1.0937	0.1163	0.4921	0.154*	0.712 (18)
H17B	1.0941	0.1456	0.5868	0.154*	0.712 (18)
H17C	1.116	0.2045	0.5153	0.154*	0.712 (18)
C18	0.8890 (9)	0.2344 (8)	0.5518 (6)	0.102 (3)	0.712 (18)
H18A	0.8001	0.2423	0.5312	0.154*	0.712 (18)
H18B	0.9327	0.2819	0.5461	0.154*	0.712 (18)
H18C	0.9064	0.219	0.6121	0.154*	0.712 (18)
C19	0.8578 (12)	0.0967 (6)	0.5022 (6)	0.104 (3)	0.712 (18)
H19A	0.7691	0.107	0.4844	0.156*	0.712 (18)
H19B	0.8767	0.0766	0.5608	0.156*	0.712 (18)
H19C	0.8814	0.0593	0.4634	0.156*	0.712 (18)
C17A	1.0694 (16)	0.2040 (12)	0.5313 (14)	0.099 (6)	0.288 (18)
H17D	1.1222	0.1825	0.4958	0.149*	0.288 (18)
H17E	1.1009	0.1891	0.5912	0.149*	0.288 (18)
H17F	1.0694	0.2596	0.5268	0.149*	0.288 (18)
C18A	0.853 (3)	0.204 (2)	0.555 (2)	0.121 (9)	0.288 (18)
H18D	0.8686	0.2581	0.5645	0.181*	0.288 (18)
H18E	0.8715	0.177	0.6104	0.181*	0.288 (18)
H18F	0.7656	0.1958	0.5275	0.181*	0.288 (18)
C19A	0.931 (3)	0.0877 (13)	0.4806 (15)	0.111 (6)	0.288 (18)
H19D	0.9808	0.0773	0.4386	0.167*	0.288 (18)
H19E	0.8459	0.0709	0.4576	0.167*	0.288 (18)
H19F	0.965	0.0601	0.5338	0.167*	0.288 (18)
O20	0.7012 (2)	0.20044 (15)	0.37241 (16)	0.0819 (7)
C21	0.6324 (2)	0.64392 (14)	0.23265 (15)	0.0429 (5)
C22	0.7429 (2)	0.61663 (16)	0.21445 (17)	0.0506 (6)
H22	0.7567	0.5636	0.2106	0.061*
C23	0.8317 (3)	0.66926 (18)	0.2022 (2)	0.0638 (8)
H23	0.906	0.652	0.1887	0.077*
C24	0.8110 (3)	0.74818 (19)	0.2099 (2)	0.0663 (8)
H24	0.8726	0.7836	0.2033	0.08*
C25	0.6996 (3)	0.77424 (17)	0.2272 (2)	0.0627 (8)
H25	0.6859	0.8272	0.2319	0.075*
C26	0.6086 (3)	0.72214 (15)	0.23744 (18)	0.0541 (7)
H26	0.5321	0.7394	0.2475	0.065*
C27	0.5201 (2)	0.59711 (14)	0.36753 (16)	0.0445 (6)
C28	0.6304 (3)	0.61895 (15)	0.42591 (18)	0.0526 (6)
H28	0.7051	0.6245	0.407	0.063*
C29	0.6276 (3)	0.63210 (18)	0.51133 (19)	0.0628 (8)
H29	0.7004	0.6474	0.5509	0.075*
C30	0.5158 (3)	0.6227 (2)	0.5391 (2)	0.0728 (9)
H30	0.5143	0.6307	0.5975	0.087*
C31	0.4080 (3)	0.6016 (2)	0.4807 (2)	0.0740 (9)
H31	0.3334	0.5964	0.4997	0.089*
C32	0.4086 (3)	0.58824 (17)	0.39439 (19)	0.0583 (7)
H32	0.3353	0.5735	0.3549	0.07*
S33	0.08006 (9)	0.48351 (5)	0.27300 (7)	0.0775 (3)
O34	0.0972 (4)	0.56387 (19)	0.2559 (3)	0.1537 (16)
O35	0.1986 (3)	0.44518 (19)	0.2888 (2)	0.1282 (12)
O36	−0.0239 (4)	0.4482 (4)	0.2255 (3)	0.214 (3)
C37	0.0488 (4)	0.4912 (3)	0.3778 (3)	0.0975 (13)
F38	0.1375 (2)	0.5149 (2)	0.44055 (19)	0.1437 (12)
F39	−0.0574 (2)	0.5243 (2)	0.3812 (2)	0.1429 (11)
F40	0.0294 (4)	0.4167 (3)	0.4097 (2)	0.1917 (17)

	U11	U22	U33	U12	U13	U23
S1	0.0412 (3)	0.0396 (3)	0.0465 (4)	−0.0011 (2)	0.0040 (2)	0.0010 (3)
C2	0.0430 (13)	0.0356 (12)	0.0466 (13)	−0.0031 (10)	0.0065 (10)	0.0002 (10)
C3	0.0491 (14)	0.0419 (13)	0.0426 (13)	−0.0056 (11)	0.0014 (11)	0.0001 (11)
C4	0.0450 (13)	0.0427 (13)	0.0469 (14)	0.0015 (11)	−0.0030 (11)	0.0044 (11)
C5	0.0421 (12)	0.0378 (13)	0.0453 (13)	−0.0015 (10)	0.0079 (10)	0.0032 (10)
C6	0.0414 (12)	0.0416 (13)	0.0421 (13)	−0.0056 (10)	0.0066 (10)	0.0032 (10)
C7	0.0621 (16)	0.0488 (15)	0.0473 (15)	−0.0019 (12)	0.0031 (12)	−0.0049 (12)
C8	0.076 (2)	0.0631 (19)	0.0499 (16)	−0.0016 (16)	−0.0104 (14)	−0.0082 (14)
C9	0.0669 (19)	0.0662 (19)	0.0541 (17)	0.0062 (15)	−0.0157 (14)	−0.0019 (14)
C10	0.0559 (16)	0.0484 (15)	0.0584 (17)	0.0051 (12)	−0.0093 (13)	−0.0002 (12)
C11	0.0392 (12)	0.0417 (13)	0.0423 (13)	−0.0045 (10)	0.0035 (10)	0.0022 (10)
O12	0.0602 (11)	0.0473 (10)	0.0507 (10)	0.0109 (8)	−0.0002 (8)	−0.0016 (8)
C13	0.0539 (16)	0.0595 (17)	0.0544 (16)	0.0171 (13)	0.0073 (13)	0.0041 (13)
C14	0.0495 (15)	0.0458 (15)	0.0595 (17)	0.0053 (12)	0.0073 (12)	0.0034 (12)
O15	0.0485 (10)	0.0819 (14)	0.0478 (10)	0.0098 (9)	0.0060 (8)	0.0034 (9)
C16	0.0629 (19)	0.093 (2)	0.0461 (16)	0.0036 (17)	0.0016 (14)	0.0035 (16)
C17	0.068 (4)	0.159 (10)	0.074 (4)	0.037 (5)	0.003 (3)	0.040 (5)
C18	0.124 (7)	0.129 (9)	0.064 (4)	0.001 (5)	0.042 (4)	−0.015 (5)
C19	0.118 (7)	0.096 (5)	0.083 (5)	−0.001 (5)	−0.008 (4)	0.037 (4)
C17A	0.108 (12)	0.085	0.078 (9)	0.034 (9)	−0.039 (8)	0.006 (10)
C18A	0.147	0.13 (2)	0.110 (15)	0.041 (16)	0.085 (12)	0.053 (16)
C19A	0.148	0.082 (11)	0.084 (12)	0.018 (14)	−0.016 (13)	0.027 (9)
O20	0.0509 (12)	0.1047 (19)	0.0872 (16)	−0.0037 (12)	0.0089 (11)	0.0329 (14)
C21	0.0425 (12)	0.0428 (13)	0.0413 (13)	0.0002 (10)	0.0045 (10)	0.0051 (10)
C22	0.0498 (14)	0.0498 (15)	0.0515 (15)	0.0054 (12)	0.0101 (12)	0.0065 (12)
C23	0.0485 (15)	0.069 (2)	0.076 (2)	0.0074 (14)	0.0190 (14)	0.0216 (16)
C24	0.0543 (17)	0.0652 (19)	0.075 (2)	−0.0119 (15)	0.0048 (14)	0.0228 (16)
C25	0.0677 (19)	0.0427 (15)	0.076 (2)	−0.0025 (13)	0.0129 (16)	0.0092 (14)
C26	0.0519 (15)	0.0427 (14)	0.0671 (18)	0.0037 (12)	0.0119 (13)	0.0025 (13)
C27	0.0442 (13)	0.0413 (13)	0.0470 (14)	−0.0007 (10)	0.0081 (10)	−0.0010 (11)
C28	0.0483 (14)	0.0549 (16)	0.0528 (16)	0.0001 (12)	0.0072 (12)	−0.0024 (13)
C29	0.0693 (19)	0.0636 (19)	0.0516 (17)	−0.0022 (15)	0.0049 (14)	−0.0032 (14)
C30	0.090 (2)	0.077 (2)	0.0558 (18)	−0.0108 (18)	0.0252 (17)	−0.0032 (16)
C31	0.073 (2)	0.086 (2)	0.072 (2)	−0.0180 (18)	0.0340 (18)	−0.0019 (18)
C32	0.0518 (16)	0.0643 (18)	0.0603 (17)	−0.0156 (13)	0.0155 (13)	−0.0022 (14)
S33	0.0737 (6)	0.0603 (5)	0.0935 (7)	0.0028 (4)	0.0081 (5)	0.0009 (4)
O34	0.167 (4)	0.087 (2)	0.224 (4)	0.043 (2)	0.078 (3)	0.067 (2)
O35	0.131 (3)	0.111 (2)	0.144 (3)	0.054 (2)	0.033 (2)	−0.014 (2)
O36	0.162 (4)	0.366 (7)	0.116 (3)	−0.150 (4)	0.033 (2)	−0.112 (4)
C37	0.063 (2)	0.115 (3)	0.109 (3)	−0.013 (2)	0.007 (2)	−0.020 (3)
F38	0.0843 (17)	0.229 (4)	0.108 (2)	−0.0313 (19)	0.0021 (15)	−0.039 (2)
F39	0.0711 (16)	0.225 (4)	0.135 (2)	0.0091 (19)	0.0277 (15)	−0.024 (2)
F40	0.206 (4)	0.224 (4)	0.144 (3)	−0.043 (3)	0.036 (3)	0.059 (3)

S1—C2	1.779 (2)	C19—H19B	0.96
S1—C27	1.783 (3)	C19—H19C	0.96
S1—C21	1.792 (2)	C17A—H17D	0.96
C2—C3	1.347 (3)	C17A—H17E	0.96
C2—C11	1.433 (3)	C17A—H17F	0.96
C3—C4	1.393 (4)	C18A—H18D	0.96
C3—H3	0.93	C18A—H18E	0.96
C4—C5	1.365 (3)	C18A—H18F	0.96
C4—H4	0.93	C19A—H19D	0.96
C5—O12	1.355 (3)	C19A—H19E	0.96
C5—C6	1.434 (3)	C19A—H19F	0.96
C6—C7	1.406 (3)	C21—C26	1.377 (3)
C6—C11	1.415 (3)	C21—C22	1.380 (4)
C7—C8	1.357 (4)	C22—C23	1.370 (4)
C7—H7	0.93	C22—H22	0.93
C8—C9	1.394 (4)	C23—C24	1.387 (4)
C8—H8	0.93	C23—H23	0.93
C9—C10	1.351 (4)	C24—C25	1.376 (4)
C9—H9	0.93	C24—H24	0.93
C10—C11	1.423 (3)	C25—C26	1.373 (4)
C10—H10	0.93	C25—H25	0.93
O12—C13	1.423 (3)	C26—H26	0.93
C13—C14	1.505 (4)	C27—C32	1.379 (4)
C13—H13A	0.97	C27—C28	1.391 (4)
C13—H13B	0.97	C28—C29	1.365 (4)
C14—O20	1.188 (3)	C28—H28	0.93
C14—O15	1.317 (3)	C29—C30	1.391 (5)
O15—C16	1.500 (3)	C29—H29	0.93
C16—C18A	1.46 (3)	C30—C31	1.368 (5)
C16—C18	1.482 (12)	C30—H30	0.93
C16—C19A	1.50 (2)	C31—C32	1.374 (4)
C16—C17	1.507 (7)	C31—H31	0.93
C16—C19	1.547 (10)	C32—H32	0.93
C16—C17A	1.565 (15)	S33—O36	1.354 (3)
C17—H17A	0.96	S33—O35	1.422 (3)
C17—H17B	0.96	S33—O34	1.429 (3)
C17—H17C	0.96	S33—C37	1.755 (5)
C18—H18A	0.96	C37—F38	1.282 (4)
C18—H18B	0.96	C37—F39	1.302 (5)
C18—H18C	0.96	C37—F40	1.409 (5)
C19—H19A	0.96
C2—S1—C27	105.56 (11)	H19A—C19—H19B	109.5
C2—S1—C21	105.10 (11)	C16—C19—H19C	109.5
C27—S1—C21	102.43 (11)	H19A—C19—H19C	109.5
C3—C2—C11	122.0 (2)	H19B—C19—H19C	109.5
C3—C2—S1	121.34 (19)	C16—C17A—H17D	109.5
C11—C2—S1	116.53 (18)	C16—C17A—H17E	109.5
C2—C3—C4	120.6 (2)	H17D—C17A—H17E	109.5
C2—C3—H3	119.7	C16—C17A—H17F	109.5
C4—C3—H3	119.7	H17D—C17A—H17F	109.5
C5—C4—C3	120.3 (2)	H17E—C17A—H17F	109.5
C5—C4—H4	119.8	C16—C18A—H18D	109.5
C3—C4—H4	119.8	C16—C18A—H18E	109.5
O12—C5—C4	124.9 (2)	H18D—C18A—H18E	109.5
O12—C5—C6	114.4 (2)	C16—C18A—H18F	109.5
C4—C5—C6	120.8 (2)	H18D—C18A—H18F	109.5
C7—C6—C11	119.5 (2)	H18E—C18A—H18F	109.5
C7—C6—C5	121.7 (2)	C16—C19A—H19D	109.5
C11—C6—C5	118.9 (2)	C16—C19A—H19E	109.5
C8—C7—C6	120.6 (3)	H19D—C19A—H19E	109.5
C8—C7—H7	119.7	C16—C19A—H19F	109.5
C6—C7—H7	119.7	H19D—C19A—H19F	109.5
C7—C8—C9	120.4 (3)	H19E—C19A—H19F	109.5
C7—C8—H8	119.8	C26—C21—C22	121.9 (2)
C9—C8—H8	119.8	C26—C21—S1	115.1 (2)
C10—C9—C8	120.8 (3)	C22—C21—S1	123.0 (2)
C10—C9—H9	119.6	C23—C22—C21	118.7 (3)
C8—C9—H9	119.6	C23—C22—H22	120.7
C9—C10—C11	120.9 (3)	C21—C22—H22	120.7
C9—C10—H10	119.6	C22—C23—C24	120.2 (3)
C11—C10—H10	119.6	C22—C23—H23	119.9
C6—C11—C10	117.8 (2)	C24—C23—H23	119.9
C6—C11—C2	117.4 (2)	C25—C24—C23	120.3 (3)
C10—C11—C2	124.7 (2)	C25—C24—H24	119.9
C5—O12—C13	117.8 (2)	C23—C24—H24	119.9
O12—C13—C14	113.1 (2)	C26—C25—C24	120.1 (3)
O12—C13—H13A	109	C26—C25—H25	119.9
C14—C13—H13A	109	C24—C25—H25	119.9
O12—C13—H13B	109	C25—C26—C21	118.9 (3)
C14—C13—H13B	109	C25—C26—H26	120.6
H13A—C13—H13B	107.8	C21—C26—H26	120.6
O20—C14—O15	127.3 (3)	C32—C27—C28	121.3 (3)
O20—C14—C13	124.3 (3)	C32—C27—S1	115.6 (2)
O15—C14—C13	108.4 (2)	C28—C27—S1	123.0 (2)
C14—O15—C16	123.2 (2)	C29—C28—C27	119.0 (3)
C18A—C16—C19A	119.4 (14)	C29—C28—H28	120.5
C18A—C16—O15	118.0 (11)	C27—C28—H28	120.5
C18—C16—O15	106.4 (5)	C28—C29—C30	120.0 (3)
C19A—C16—O15	99.9 (10)	C28—C29—H29	120
C18—C16—C17	112.8 (6)	C30—C29—H29	120
O15—C16—C17	104.1 (4)	C31—C30—C29	120.2 (3)
C18—C16—C19	110.9 (5)	C31—C30—H30	119.9
O15—C16—C19	111.6 (4)	C29—C30—H30	119.9
C17—C16—C19	110.7 (5)	C30—C31—C32	120.8 (3)
C18A—C16—C17A	109.4 (16)	C30—C31—H31	119.6
C19A—C16—C17A	111.4 (11)	C32—C31—H31	119.6
O15—C16—C17A	96.3 (8)	C31—C32—C27	118.6 (3)
C16—C17—H17A	109.5	C31—C32—H32	120.7
C16—C17—H17B	109.5	C27—C32—H32	120.7
H17A—C17—H17B	109.5	O36—S33—O35	120.3 (3)
C16—C17—H17C	109.5	O36—S33—O34	117.4 (4)
H17A—C17—H17C	109.5	O35—S33—O34	109.3 (2)
H17B—C17—H17C	109.5	O36—S33—C37	103.7 (2)
C16—C18—H18A	109.5	O35—S33—C37	103.2 (2)
C16—C18—H18B	109.5	O34—S33—C37	99.4 (3)
H18A—C18—H18B	109.5	F38—C37—F39	110.7 (4)
C16—C18—H18C	109.5	F38—C37—F40	99.4 (4)
H18A—C18—H18C	109.5	F39—C37—F40	100.3 (4)
H18B—C18—H18C	109.5	F38—C37—S33	118.2 (3)
C16—C19—H19A	109.5	F39—C37—S33	115.5 (3)
C16—C19—H19B	109.5	F40—C37—S33	109.8 (3)