Packing conflicts in the Z' = 5 structure of CF₃(CF₂)₃(CH₂)₁₀COOH

Dimers of the partially fluorinated amphiphile 1-(perfluoro­butyl)undecanoic acid, CF₃(CF₂)₃(CH₂)₁₀COOH, crystallize in the same basic packing arrangement found for many n-alkyl carboxylic acids. The unit cell of the fluorinated compound, however, contains five independent molecules rather than the one found for most n-alkyl carboxylic acids including CH₃(CH₂)₁₃COOH. The structures of the two C₁₅ acids are compared. The structural modulations that lead to the large value of Z' can be understood as resulting from the conflict between the necessity of filling space densely and uniformly and the tendency of unlike groups to be segregated spatially. The few other known structures of compounds with both (CF₂)_n and (CH₂)_m regions show evidence of the same conflict.

Computing details

Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO-SMN (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in Siemens SHELXTL (Sheldrick, 1994); Mercury (Bruno et al., 2002); software used to prepare material for publication: SHELX97-2 (Sheldrick, 1997) and local procedures.

Figures

1-(perfluorobutyl)undecanoic acid

Crystal data

C15H21F9O2	F(000) = 2080
Mr = 404.32	Dx = 1.533 Mg m^−3
Triclinic, P1	Melting point: 322(1) K
a = 11.253 (2) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.750 (2) Å	Cell parameters from 15988 reflections
c = 29.289 (6) Å	θ = 1.0–25.4°
α = 78.01 (2)°	µ = 0.16 mm^−1
β = 89.72 (2)°	T = 90 K
γ = 81.16 (2)°	Thin flakes, colorless
V = 4378.7 (14) Å^3	0.45 × 0.20 × 0.03 mm
Z = 10

Data collection

Nonius KappaCCD diffractometer	15437 independent reflections
Radiation source: fine-focus sealed tube	8076 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.067
Detector resolution: 18 pixels mm^-1	θmax = 25.0°, θmin = 1.5°
1.0° ω scans at fixed χ = 55°	h = −13→13
Absorption correction: multi-scan DENZO-SMN (Otwinowski & Minor, 1997)	k = −16→16
Tmin = 0.93, Tmax = 1.00	l = −34→34
30811 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.050	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.107	H atoms treated by a mixture of independent and constrained refinement
S = 0.97	w = 1/[σ^2(Fo^2) + (0.0425P)^2] where P = (Fo^2 + 2Fc^2)/3
15437 reflections	(Δ/σ)max = 0.002
1565 parameters	Δρmax = 0.33 e Å^−3
1355 restraints	Δρmin = −0.28 e Å^−3

Special details

Experimental. The crystal-to-detector distance was 60 mm. Each frame was measured for 50 s. The number of scan sets measured was 10; the total number of frames measured was 1234.

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
O1A	1.10543 (14)	0.91330 (11)	0.57922 (6)	0.0295 (4)
H1A	1.0413	0.9085	0.5659	0.044*
O2A	1.10531 (14)	0.74894 (12)	0.60743 (5)	0.0293 (4)
C1A	1.1527 (2)	0.82407 (18)	0.60407 (8)	0.0212 (6)
C2A	1.26994 (19)	0.82689 (16)	0.62699 (8)	0.0217 (6)
H2A1	1.2559	0.8758	0.6477	0.026*
H2A2	1.3247	0.8528	0.6024	0.026*
C3A	1.33394 (19)	0.72755 (17)	0.65561 (8)	0.0235 (6)
H3A1	1.2836	0.7034	0.6821	0.028*
H3A2	1.3453	0.6766	0.6359	0.028*
C4A	1.45547 (19)	0.73966 (16)	0.67409 (8)	0.0224 (6)
H4A1	1.4440	0.7975	0.6898	0.027*
H4A2	1.5078	0.7563	0.6472	0.027*
C5A	1.5204 (2)	0.64796 (17)	0.70817 (8)	0.0241 (6)
H5A1	1.4674	0.6292	0.7345	0.029*
H5A2	1.5363	0.5907	0.6922	0.029*
C6A	1.63865 (19)	0.66587 (17)	0.72721 (8)	0.0251 (6)
H6A1	1.6247	0.7302	0.7380	0.030*
H6A2	1.6961	0.6731	0.7015	0.030*
C7A	1.6960 (2)	0.58310 (17)	0.76734 (8)	0.0273 (6)
H7A1	1.6373	0.5734	0.7925	0.033*
H7A2	1.7141	0.5193	0.7562	0.033*
C8A	1.8112 (2)	0.60507 (18)	0.78742 (8)	0.0282 (6)
H8A1	1.8724	0.6082	0.7630	0.034*
H8A2	1.7947	0.6721	0.7956	0.034*
C9A	1.8626 (2)	0.52805 (17)	0.83029 (8)	0.0305 (7)
H9A1	1.8012	0.5243	0.8546	0.037*
H9A2	1.8802	0.4611	0.8220	0.037*
C10A	1.9763 (2)	0.55145 (18)	0.85024 (8)	0.0295 (6)
H10A	1.9604	0.6205	0.8562	0.035*
H10B	2.0397	0.5499	0.8268	0.035*
C11A	2.0224 (2)	0.47864 (17)	0.89528 (8)	0.0294 (6)
H11A	1.9584	0.4790	0.9186	0.035*
H11B	2.0403	0.4098	0.8892	0.035*
C12A	2.1331 (2)	0.50401 (19)	0.91522 (8)	0.0276 (6)
F1A	2.10978 (13)	0.59723 (10)	0.92458 (5)	0.0480 (4)
F2A	2.22163 (12)	0.50668 (13)	0.88380 (5)	0.0590 (5)
C13A	2.1855 (2)	0.43198 (18)	0.96045 (8)	0.0256 (6)
F3A	2.10483 (12)	0.43620 (11)	0.99385 (5)	0.0417 (4)
F4A	2.20246 (14)	0.33836 (11)	0.95278 (5)	0.0568 (5)
C14A	2.3056 (2)	0.4514 (2)	0.97924 (9)	0.0316 (6)
F5A	2.39241 (13)	0.43323 (13)	0.94936 (5)	0.0623 (5)
F6A	2.29756 (13)	0.54701 (11)	0.98279 (5)	0.0529 (5)
C15A	2.3496 (2)	0.3858 (2)	1.02743 (9)	0.0346 (7)
F7A	2.27770 (14)	0.40784 (12)	1.06035 (5)	0.0515 (5)
F8A	2.35819 (14)	0.28947 (11)	1.02768 (5)	0.0518 (5)
F9A	2.45743 (14)	0.40451 (12)	1.03734 (5)	0.0581 (5)
O1B	0.90865 (15)	0.74693 (11)	0.55936 (6)	0.0344 (5)
H1B	0.9690	0.7537	0.5745	0.052*
O2B	0.89749 (14)	0.91323 (12)	0.53527 (5)	0.0279 (4)
C1B	0.8569 (2)	0.83629 (19)	0.53575 (8)	0.0217 (6)
C2B	0.74371 (19)	0.82860 (16)	0.51075 (8)	0.0235 (6)
H2B1	0.6845	0.8074	0.5344	0.028*
H2B2	0.7622	0.7748	0.4928	0.028*
C3B	0.68528 (19)	0.92369 (16)	0.47768 (8)	0.0225 (6)
H3B1	0.7411	0.9435	0.4524	0.027*
H3B2	0.6683	0.9790	0.4948	0.027*
C4B	0.56832 (19)	0.90701 (16)	0.45652 (8)	0.0231 (6)
H4B1	0.5862	0.8492	0.4410	0.028*
H4B2	0.5131	0.8885	0.4822	0.028*
C5B	0.5037 (2)	0.99680 (17)	0.42135 (8)	0.0242 (6)
H5B1	0.5571	1.0140	0.3949	0.029*
H5B2	0.4874	1.0555	0.4364	0.029*
C6B	0.3853 (2)	0.97690 (17)	0.40262 (8)	0.0252 (6)
H6B1	0.4024	0.9179	0.3878	0.030*
H6B2	0.3328	0.9590	0.4293	0.030*
C7B	0.3169 (2)	1.06414 (17)	0.36750 (8)	0.0229 (6)
H7B1	0.3695	1.0833	0.3410	0.028*
H7B2	0.2971	1.1227	0.3824	0.028*
C8B	0.20149 (19)	1.03996 (17)	0.34892 (8)	0.0234 (6)
H8B1	0.1502	1.0191	0.3756	0.028*
H8B2	0.2219	0.9821	0.3335	0.028*
C9B	0.1292 (2)	1.12684 (16)	0.31428 (8)	0.0226 (6)
H9B1	0.1024	1.1830	0.3302	0.027*
H9B2	0.1816	1.1513	0.2885	0.027*
C10B	0.0197 (2)	1.09604 (17)	0.29401 (8)	0.0232 (6)
H10C	−0.0336	1.0732	0.3197	0.028*
H10D	0.0465	1.0387	0.2789	0.028*
C11B	−0.0514 (2)	1.18185 (17)	0.25833 (8)	0.0238 (6)
H11C	−0.0823	1.2375	0.2740	0.029*
H11D	0.0034	1.2075	0.2337	0.029*
C12B	−0.1543 (2)	1.15092 (17)	0.23609 (8)	0.0219 (6)
F1B	−0.23568 (11)	1.11983 (10)	0.26874 (4)	0.0309 (4)
F2B	−0.11659 (11)	1.07022 (9)	0.21663 (4)	0.0295 (4)
C13B	−0.2257 (2)	1.23252 (17)	0.19785 (8)	0.0224 (6)
F3B	−0.25052 (12)	1.31779 (10)	0.21474 (5)	0.0385 (4)
F4B	−0.15372 (11)	1.25102 (10)	0.16120 (4)	0.0364 (4)
C14B	−0.3452 (2)	1.21090 (17)	0.18019 (8)	0.0227 (6)
F5B	−0.32999 (12)	1.11729 (10)	0.17246 (5)	0.0360 (4)
F6B	−0.42738 (12)	1.21615 (11)	0.21349 (5)	0.0405 (4)
C15B	−0.4019 (2)	1.2816 (2)	0.13535 (9)	0.0328 (6)
F7B	−0.33554 (13)	1.27203 (12)	0.09913 (5)	0.0542 (5)
F8B	−0.50931 (12)	1.25822 (11)	0.12730 (5)	0.0423 (4)
F9B	−0.41676 (14)	1.37609 (11)	0.13985 (6)	0.0587 (5)
O1C	0.58310 (14)	0.58204 (13)	0.51102 (6)	0.0334 (5)
H1C	0.5152	0.6148	0.5018	0.050*
O2C	0.55138 (13)	0.66310 (12)	0.56985 (5)	0.0270 (4)
C1C	0.6150 (2)	0.60500 (18)	0.55034 (8)	0.0222 (6)
C2C	0.73850 (19)	0.55300 (17)	0.56740 (7)	0.0233 (6)
H2C1	0.7973	0.5789	0.5446	0.028*
H2C2	0.7429	0.4803	0.5680	0.028*
C3C	0.77636 (19)	0.56498 (17)	0.61551 (7)	0.0226 (6)
H3C1	0.7239	0.5326	0.6393	0.027*
H3C2	0.7667	0.6374	0.6163	0.027*
C4C	0.9070 (2)	0.51719 (17)	0.62700 (8)	0.0238 (6)
H4C1	0.9150	0.4448	0.6264	0.029*
H4C2	0.9579	0.5483	0.6022	0.029*
C5C	0.9550 (2)	0.52722 (17)	0.67386 (8)	0.0255 (6)
H5C1	0.9065	0.4941	0.6990	0.031*
H5C2	0.9460	0.5994	0.6750	0.031*
C6C	1.0871 (2)	0.48046 (18)	0.68289 (8)	0.0290 (6)
H6C1	1.0964	0.4096	0.6794	0.035*
H6C2	1.1356	0.5165	0.6587	0.035*
C7C	1.1377 (2)	0.48255 (18)	0.73044 (8)	0.0312 (7)
H7C1	1.0881	0.4483	0.7548	0.037*
H7C2	1.1316	0.5534	0.7336	0.037*
C8C	1.2688 (2)	0.43207 (19)	0.73894 (9)	0.0384 (7)
H8C1	1.2758	0.3625	0.7339	0.046*
H8C2	1.3192	0.4689	0.7158	0.046*
C9C	1.3173 (2)	0.42856 (19)	0.78766 (9)	0.0379 (7)
H9C1	1.2633	0.3962	0.8108	0.046*
H9C2	1.3158	0.4983	0.7919	0.046*
C10C	1.4447 (2)	0.37174 (19)	0.79751 (8)	0.0372 (7)
H10E	1.4999	0.4055	0.7754	0.045*
H10F	1.4474	0.3025	0.7924	0.045*
C11C	1.4875 (2)	0.36691 (19)	0.84767 (9)	0.0401 (7)
H11E	1.4890	0.4362	0.8521	0.048*
H11F	1.4290	0.3373	0.8696	0.048*
C12C	1.6092 (2)	0.30636 (19)	0.85945 (9)	0.0353 (7)
F1C	1.61107 (12)	0.21058 (10)	0.85361 (5)	0.0394 (4)
F2C	1.69288 (13)	0.34463 (11)	0.82993 (5)	0.0497 (4)
C13C	1.6559 (3)	0.2986 (2)	0.90970 (10)	0.0402 (7)
F3C	1.57180 (14)	0.26676 (11)	0.93934 (5)	0.0496 (4)
F4C	1.66795 (13)	0.39180 (11)	0.91487 (5)	0.0468 (4)
C14C	1.7605 (6)	0.2135 (6)	0.9304 (3)	0.0383 (14)	0.50
F5C	1.8401 (4)	0.2159 (4)	0.89624 (14)	0.0526 (12)	0.50
F6C	1.7253 (4)	0.1207 (3)	0.93806 (15)	0.0496 (11)	0.50
C15C	1.8234 (11)	0.2201 (8)	0.9753 (4)	0.044 (2)	0.50
F7C	1.7477 (10)	0.2250 (6)	1.0085 (4)	0.0433 (19)	0.50
F8C	1.8777 (9)	0.3013 (5)	0.9677 (4)	0.056 (2)	0.50
F9C	1.9056 (6)	0.1409 (4)	0.9883 (3)	0.0611 (18)	0.50
C14X	1.7886 (8)	0.2462 (5)	0.9200 (3)	0.0380 (14)	0.50
F5C'	1.7891 (4)	0.1498 (3)	0.91850 (17)	0.0534 (13)	0.50
F6C'	1.8710 (3)	0.2824 (3)	0.89074 (13)	0.0462 (10)	0.50
C15X	1.8378 (12)	0.2448 (9)	0.9703 (4)	0.0350 (17)	0.50
F7C'	1.9429 (5)	0.1832 (4)	0.9778 (3)	0.0569 (17)	0.50
F8C'	1.8585 (10)	0.3359 (5)	0.9726 (4)	0.055 (2)	0.50
F9C'	1.7640 (10)	0.2182 (9)	1.0025 (4)	0.076 (3)	0.50
O1D	0.34259 (14)	0.76424 (13)	0.53431 (5)	0.0317 (4)
H1D	0.4105	0.7313	0.5434	0.048*
O2D	0.37483 (14)	0.68526 (12)	0.47480 (5)	0.0289 (4)
C1D	0.3106 (2)	0.74237 (18)	0.49477 (8)	0.0219 (6)
C2D	0.18719 (19)	0.79342 (17)	0.47805 (7)	0.0208 (6)
H2D1	0.1831	0.8666	0.4763	0.025*
H2D2	0.1292	0.7690	0.5016	0.025*
C3D	0.1476 (2)	0.77780 (17)	0.43087 (8)	0.0245 (6)
H3D1	0.1595	0.7049	0.4309	0.029*
H3D2	0.1974	0.8106	0.4062	0.029*
C4D	0.0151 (2)	0.82210 (17)	0.42036 (8)	0.0251 (6)
H4D1	−0.0337	0.7879	0.4451	0.030*
H4D2	0.0039	0.8942	0.4218	0.030*
C5D	−0.0325 (2)	0.81292 (17)	0.37316 (8)	0.0256 (6)
H5D1	0.0147	0.8481	0.3481	0.031*
H5D2	−0.0216	0.7410	0.3713	0.031*
C6D	−0.1647 (2)	0.85743 (17)	0.36523 (7)	0.0238 (6)
H6D1	−0.1755	0.9277	0.3696	0.029*
H6D2	−0.2115	0.8191	0.3893	0.029*
C7D	−0.2164 (2)	0.85715 (17)	0.31741 (8)	0.0251 (6)
H7D1	−0.2114	0.7867	0.3137	0.030*
H7D2	−0.1670	0.8918	0.2931	0.030*
C8D	−0.3466 (2)	0.90858 (17)	0.31007 (8)	0.0243 (6)
H8D1	−0.3521	0.9776	0.3157	0.029*
H8D2	−0.3965	0.8714	0.3333	0.029*
C9D	−0.3980 (2)	0.91453 (17)	0.26137 (8)	0.0235 (6)
H9D1	−0.3429	0.9443	0.2379	0.028*
H9D2	−0.4019	0.8455	0.2571	0.028*
C10D	−0.5226 (2)	0.97674 (17)	0.25255 (8)	0.0251 (6)
H10G	−0.5199	1.0449	0.2582	0.030*
H10H	−0.5790	0.9451	0.2748	0.030*
C11D	−0.5689 (2)	0.98547 (17)	0.20257 (8)	0.0251 (6)
H11G	−0.5076	1.0095	0.1805	0.030*
H11H	−0.5798	0.9179	0.1982	0.030*
C12D	−0.6852 (2)	1.05539 (17)	0.19099 (8)	0.0225 (6)
F1D	−0.67500 (12)	1.14923 (9)	0.19662 (4)	0.0345 (4)
F2D	−0.77232 (11)	1.02418 (10)	0.22079 (4)	0.0348 (4)
C13D	−0.7334 (10)	1.0621 (8)	0.1415 (4)	0.0249 (12)	0.717 (9)
F3D	−0.6435 (7)	1.0767 (7)	0.1118 (4)	0.0479 (17)	0.717 (9)
F4D	−0.7667 (15)	0.9724 (9)	0.1392 (7)	0.050 (2)	0.717 (9)
C14D	−0.8379 (5)	1.1481 (5)	0.1234 (2)	0.0256 (12)	0.717 (9)
F5D	−0.9194 (3)	1.1524 (3)	0.15725 (10)	0.0418 (12)	0.717 (9)
F6D	−0.7961 (4)	1.23666 (18)	0.11513 (10)	0.0407 (9)	0.717 (9)
C15D	−0.9057 (12)	1.1435 (10)	0.0791 (4)	0.0408 (14)	0.717 (9)
F7D	−0.8292 (4)	1.1283 (4)	0.04664 (14)	0.0616 (13)	0.717 (9)
F8D	−0.9686 (4)	1.0672 (4)	0.08749 (16)	0.0701 (14)	0.717 (9)
F9D	−0.9810 (5)	1.2262 (4)	0.0637 (2)	0.0587 (14)	0.717 (9)
C13Y	−0.737 (3)	1.073 (2)	0.1399 (10)	0.025 (2)	0.283 (9)
F3D'	−0.6589 (18)	1.1107 (17)	0.1109 (10)	0.056 (5)	0.283 (9)
F4D'	−0.745 (4)	0.984 (2)	0.1326 (17)	0.052 (5)	0.283 (9)
C14Y	−0.8672 (19)	1.1279 (15)	0.1296 (8)	0.041 (3)	0.283 (9)
F5D'	−0.9435 (6)	1.0774 (13)	0.1538 (2)	0.084 (5)	0.283 (9)
F6D'	−0.8709 (14)	1.2168 (9)	0.1379 (5)	0.099 (8)	0.283 (9)
C15Y	−0.907 (3)	1.139 (3)	0.0768 (10)	0.034 (3)	0.283 (9)
F7D'	−1.0178 (12)	1.1911 (10)	0.0737 (6)	0.055 (3)	0.283 (9)
F8D'	−0.8453 (12)	1.1942 (15)	0.0469 (5)	0.136 (7)	0.283 (9)
F9D'	−0.9116 (13)	1.0563 (9)	0.0659 (5)	0.083 (5)	0.283 (9)
O1E	0.0239 (3)	0.5985 (3)	0.49156 (12)	0.0287 (9)	0.50
H1E	−0.0047	0.6598	0.4879	0.043*	0.50
O2E	0.0314 (3)	0.4356 (3)	0.52058 (12)	0.0244 (9)	0.50
C1E	0.0712 (4)	0.5134 (4)	0.51855 (16)	0.0190 (11)	0.50
C2E	0.1819 (7)	0.5208 (5)	0.5449 (4)	0.0196 (19)	0.50
H2E1	0.1606	0.5713	0.5644	0.024*	0.50
H2E2	0.2411	0.5461	0.5221	0.024*	0.50
C3E	0.2424 (5)	0.4221 (4)	0.57643 (19)	0.0229 (13)	0.50
H3E1	0.1869	0.3986	0.6011	0.028*	0.50
H3E2	0.2614	0.3697	0.5577	0.028*	0.50
C4E	0.3576 (6)	0.4389 (5)	0.5987 (3)	0.0196 (17)	0.50
H4E1	0.3368	0.4903	0.6178	0.024*	0.50
H4E2	0.4101	0.4662	0.5735	0.024*	0.50
C5E	0.4285 (6)	0.3446 (4)	0.6294 (2)	0.0241 (14)	0.50
H5E1	0.3788	0.3196	0.6560	0.029*	0.50
H5E2	0.4458	0.2914	0.6111	0.029*	0.50
C6E	0.5454 (6)	0.3649 (6)	0.6479 (3)	0.0247 (18)	0.50
H6E1	0.5275	0.4237	0.6628	0.030*	0.50
H6E2	0.5971	0.3837	0.6211	0.030*	0.50
C7E	0.6166 (6)	0.2782 (5)	0.6830 (2)	0.0263 (15)	0.50
H7E1	0.5652	0.2580	0.7097	0.032*	0.50
H7E2	0.6377	0.2198	0.6680	0.032*	0.50
C8E	0.7306 (7)	0.3046 (7)	0.7010 (3)	0.0276 (17)	0.50
H8E1	0.7095	0.3661	0.7137	0.033*	0.50
H8E2	0.7837	0.3206	0.6743	0.033*	0.50
C9E	0.8012 (7)	0.2223 (5)	0.7388 (2)	0.0258 (16)	0.50
H9E1	0.7474	0.2031	0.7648	0.031*	0.50
H9E2	0.8277	0.1620	0.7256	0.031*	0.50
C10E	0.9100 (7)	0.2551 (6)	0.7575 (3)	0.0288 (17)	0.50
H10I	0.8840	0.3177	0.7690	0.035*	0.50
H10J	0.9660	0.2705	0.7317	0.035*	0.50
C11E	0.9759 (6)	0.1757 (5)	0.7969 (2)	0.0262 (15)	0.50
H11I	0.9192	0.1590	0.8222	0.031*	0.50
H11J	1.0036	0.1138	0.7851	0.031*	0.50
C12E	1.0823 (6)	0.2086 (5)	0.8166 (2)	0.0244 (12)	0.50
F1E	1.0492 (2)	0.29647 (19)	0.83097 (9)	0.0327 (7)	0.50
F2E	1.1651 (2)	0.2283 (2)	0.78275 (9)	0.0364 (7)	0.50
C13E	1.1491 (6)	0.1321 (5)	0.8582 (2)	0.0243 (12)	0.50
F3E	1.1709 (3)	0.0424 (2)	0.84645 (10)	0.0436 (8)	0.50
F4E	1.0758 (2)	0.1255 (2)	0.89475 (9)	0.0366 (7)	0.50
C14E	1.2707 (5)	0.1557 (4)	0.87442 (19)	0.0302 (11)	0.50
F5E	1.3512 (3)	0.1446 (3)	0.84046 (13)	0.0504 (11)	0.50
F6E	1.2569 (3)	0.2499 (2)	0.87932 (10)	0.0407 (8)	0.50
C15E	1.3270 (6)	0.0876 (6)	0.9196 (2)	0.0366 (15)	0.50
F7E	1.4324 (4)	0.1133 (4)	0.92589 (14)	0.0512 (11)	0.50
F8E	1.2618 (3)	0.1017 (3)	0.95558 (10)	0.0537 (9)	0.50
F9E	1.3426 (4)	−0.0072 (3)	0.91703 (13)	0.0680 (11)	0.50
O1F	−0.1622 (5)	0.4303 (3)	0.4685 (2)	0.0299 (12)	0.50
H1F	−0.1050	0.4364	0.4855	0.045*	0.50
O2F	−0.1681 (3)	0.5969 (2)	0.44355 (11)	0.0290 (8)	0.50
C1F	−0.2107 (9)	0.5199 (5)	0.4447 (4)	0.0193 (17)	0.50
C2F	−0.3240 (6)	0.5150 (4)	0.4192 (2)	0.0247 (15)	0.50
H2F1	−0.3820	0.4893	0.4424	0.030*	0.50
H2F2	−0.3052	0.4656	0.3989	0.030*	0.50
C3F	−0.3845 (6)	0.6141 (5)	0.3892 (3)	0.0223 (18)	0.50
H3F1	−0.3316	0.6364	0.3633	0.027*	0.50
H3F2	−0.3968	0.6662	0.4083	0.027*	0.50
C4F	−0.5054 (6)	0.6030 (5)	0.3693 (3)	0.0266 (16)	0.50
H4F1	−0.4927	0.5452	0.3536	0.032*	0.50
H4F2	−0.5592	0.5862	0.3956	0.032*	0.50
C5F	−0.5695 (6)	0.6938 (5)	0.3350 (3)	0.0251 (17)	0.50
H5F1	−0.5854	0.7514	0.3508	0.030*	0.50
H5F2	−0.5157	0.7121	0.3088	0.030*	0.50
C6F	−0.6872 (7)	0.6770 (6)	0.3155 (3)	0.0256 (16)	0.50
H6F1	−0.7421	0.6624	0.3417	0.031*	0.50
H6F2	−0.6715	0.6166	0.3016	0.031*	0.50
C7F	−0.7512 (6)	0.7640 (6)	0.2788 (3)	0.0247 (15)	0.50
H7F1	−0.6954	0.7813	0.2532	0.030*	0.50
H7F2	−0.7718	0.8236	0.2930	0.030*	0.50
C8F	−0.8654 (7)	0.7412 (6)	0.2585 (3)	0.0263 (17)	0.50
H8F1	−0.9241	0.7303	0.2836	0.032*	0.50
H8F2	−0.8461	0.6779	0.2470	0.032*	0.50
C9F	−0.9233 (6)	0.8244 (5)	0.2186 (2)	0.0314 (16)	0.50
H9F1	−0.9472	0.8865	0.2306	0.038*	0.50
H9F2	−0.8628	0.8383	0.1944	0.038*	0.50
C10F	−1.0320 (6)	0.7996 (5)	0.1962 (2)	0.0261 (17)	0.50
H10K	−1.0949	0.7901	0.2198	0.031*	0.50
H10L	−1.0095	0.7352	0.1859	0.031*	0.50
C11F	−1.0834 (5)	0.8805 (4)	0.15478 (19)	0.0289 (13)	0.50
H11K	−1.1049	0.9449	0.1652	0.035*	0.50
H11L	−1.0205	0.8895	0.1312	0.035*	0.50
C12F	−1.1920 (6)	0.8577 (5)	0.1324 (2)	0.0267 (14)	0.50
F1F	−1.1662 (3)	0.7679 (2)	0.11898 (11)	0.0454 (9)	0.50
F2F	−1.2813 (3)	0.8469 (4)	0.16323 (15)	0.0532 (12)	0.50
C13F	−1.2430 (5)	0.9373 (4)	0.08880 (17)	0.0299 (10)	0.50
F3F	−1.1618 (3)	0.9389 (2)	0.05550 (10)	0.0522 (9)	0.50
F4F	−1.2600 (3)	1.0278 (2)	0.10013 (12)	0.0594 (10)	0.50
C14F	−1.3632 (7)	0.9231 (6)	0.0675 (2)	0.0358 (13)	0.50
F5F	−1.3475 (4)	0.8328 (3)	0.05684 (17)	0.0871 (15)	0.50
F6F	−1.4477 (3)	0.9245 (4)	0.09953 (14)	0.0788 (16)	0.50
C15F	−1.4141 (5)	0.9984 (4)	0.02428 (19)	0.0453 (13)	0.50
F7F	−1.3435 (3)	1.0006 (4)	−0.01004 (12)	0.1182 (18)	0.50
F8F	−1.4366 (4)	1.0893 (3)	0.03193 (13)	0.0874 (12)	0.50
F9F	−1.5177 (4)	0.9767 (3)	0.01199 (14)	0.0665 (12)	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O1A	0.0263 (11)	0.0225 (10)	0.0375 (11)	−0.0026 (8)	−0.0155 (9)	−0.0020 (8)
O2A	0.0241 (10)	0.0245 (10)	0.0363 (11)	−0.0065 (8)	−0.0080 (8)	0.0028 (9)
C1A	0.0222 (15)	0.0237 (15)	0.0167 (14)	0.0003 (12)	0.0014 (11)	−0.0049 (12)
C2A	0.0199 (13)	0.0251 (14)	0.0212 (14)	−0.0043 (11)	−0.0030 (11)	−0.0069 (11)
C3A	0.0214 (14)	0.0266 (15)	0.0216 (14)	−0.0012 (11)	−0.0032 (11)	−0.0048 (12)
C4A	0.0200 (14)	0.0253 (15)	0.0228 (15)	−0.0037 (11)	−0.0022 (11)	−0.0068 (11)
C5A	0.0206 (14)	0.0258 (15)	0.0254 (15)	−0.0005 (11)	−0.0032 (11)	−0.0066 (12)
C6A	0.0205 (14)	0.0297 (15)	0.0253 (15)	0.0000 (12)	−0.0037 (11)	−0.0090 (12)
C7A	0.0240 (15)	0.0294 (16)	0.0274 (15)	0.0047 (12)	−0.0050 (11)	−0.0096 (12)
C8A	0.0245 (15)	0.0324 (16)	0.0270 (15)	0.0001 (12)	−0.0055 (12)	−0.0078 (12)
C9A	0.0257 (15)	0.0296 (16)	0.0353 (16)	0.0026 (12)	−0.0089 (12)	−0.0098 (13)
C10A	0.0261 (15)	0.0352 (16)	0.0268 (15)	−0.0011 (13)	−0.0049 (12)	−0.0083 (12)
C11A	0.0253 (14)	0.0289 (16)	0.0327 (15)	0.0024 (12)	−0.0076 (12)	−0.0078 (12)
C12A	0.0242 (15)	0.0348 (15)	0.0244 (14)	0.0007 (13)	0.0000 (11)	−0.0116 (12)
F1A	0.0637 (11)	0.0266 (9)	0.0510 (10)	−0.0025 (8)	−0.0328 (9)	−0.0049 (8)
F2A	0.0232 (9)	0.1217 (15)	0.0232 (9)	−0.0042 (9)	−0.0008 (7)	−0.0001 (9)
C13A	0.0241 (14)	0.0282 (14)	0.0240 (14)	0.0036 (12)	−0.0012 (11)	−0.0101 (12)
F3A	0.0240 (9)	0.0672 (11)	0.0283 (9)	−0.0036 (8)	0.0008 (7)	0.0004 (8)
F4A	0.0673 (12)	0.0311 (9)	0.0700 (12)	0.0163 (8)	−0.0409 (9)	−0.0228 (9)
C14A	0.0247 (14)	0.0410 (16)	0.0273 (15)	0.0010 (13)	−0.0025 (11)	−0.0075 (13)
F5A	0.0238 (9)	0.1167 (15)	0.0336 (10)	0.0051 (9)	−0.0011 (8)	0.0014 (9)
F6A	0.0558 (11)	0.0411 (10)	0.0598 (11)	−0.0178 (9)	−0.0293 (9)	0.0025 (8)
C15A	0.0281 (17)	0.0425 (17)	0.0326 (15)	−0.0093 (15)	−0.0049 (13)	−0.0037 (14)
F7A	0.0500 (11)	0.0782 (12)	0.0235 (9)	−0.0033 (9)	−0.0025 (8)	−0.0094 (8)
F8A	0.0629 (12)	0.0377 (10)	0.0490 (10)	0.0014 (9)	−0.0239 (9)	−0.0024 (8)
F9A	0.0387 (10)	0.0771 (12)	0.0511 (11)	−0.0225 (9)	−0.0227 (8)	0.0140 (9)
O1B	0.0283 (11)	0.0269 (10)	0.0445 (12)	−0.0080 (8)	−0.0170 (9)	0.0035 (9)
O2B	0.0263 (10)	0.0227 (10)	0.0346 (11)	−0.0050 (8)	−0.0107 (8)	−0.0044 (8)
C1B	0.0176 (14)	0.0250 (15)	0.0206 (14)	−0.0012 (12)	0.0009 (11)	−0.0024 (12)
C2B	0.0200 (14)	0.0260 (15)	0.0248 (15)	−0.0047 (11)	−0.0048 (11)	−0.0052 (12)
C3B	0.0175 (14)	0.0262 (15)	0.0244 (15)	−0.0034 (11)	−0.0022 (11)	−0.0064 (12)
C4B	0.0176 (14)	0.0256 (15)	0.0260 (15)	−0.0038 (11)	−0.0016 (11)	−0.0045 (12)
C5B	0.0205 (14)	0.0263 (15)	0.0256 (15)	−0.0033 (11)	−0.0016 (11)	−0.0053 (12)
C6B	0.0199 (14)	0.0305 (15)	0.0248 (15)	−0.0038 (12)	−0.0022 (11)	−0.0048 (12)
C7B	0.0200 (14)	0.0281 (15)	0.0211 (14)	−0.0054 (11)	−0.0006 (11)	−0.0048 (11)
C8B	0.0204 (14)	0.0267 (15)	0.0235 (15)	−0.0060 (11)	−0.0023 (11)	−0.0046 (12)
C9B	0.0216 (14)	0.0237 (14)	0.0223 (14)	−0.0035 (11)	0.0002 (11)	−0.0047 (11)
C10B	0.0229 (14)	0.0241 (14)	0.0220 (14)	−0.0032 (11)	−0.0026 (11)	−0.0041 (11)
C11B	0.0224 (14)	0.0241 (14)	0.0249 (15)	−0.0038 (11)	−0.0042 (11)	−0.0054 (11)
C12B	0.0239 (14)	0.0202 (14)	0.0209 (14)	−0.0012 (11)	0.0026 (11)	−0.0042 (11)
F1B	0.0241 (8)	0.0431 (9)	0.0240 (8)	−0.0096 (7)	0.0010 (7)	−0.0005 (7)
F2B	0.0314 (9)	0.0263 (8)	0.0304 (8)	0.0048 (7)	−0.0094 (7)	−0.0114 (7)
C13B	0.0218 (14)	0.0200 (14)	0.0252 (14)	−0.0029 (11)	0.0013 (11)	−0.0042 (11)
F3B	0.0363 (9)	0.0254 (8)	0.0530 (10)	0.0049 (7)	−0.0185 (8)	−0.0130 (7)
F4B	0.0223 (8)	0.0482 (10)	0.0311 (9)	−0.0065 (7)	−0.0012 (7)	0.0098 (7)
C14B	0.0236 (14)	0.0206 (14)	0.0233 (14)	−0.0021 (11)	0.0006 (11)	−0.0042 (11)
F5B	0.0366 (9)	0.0264 (8)	0.0454 (10)	−0.0047 (7)	−0.0146 (7)	−0.0081 (7)
F6B	0.0223 (8)	0.0696 (11)	0.0281 (9)	−0.0050 (8)	0.0004 (7)	−0.0087 (8)
C15B	0.0279 (16)	0.0356 (16)	0.0327 (16)	−0.0083 (14)	−0.0069 (12)	0.0003 (13)
F7B	0.0384 (10)	0.0935 (13)	0.0231 (9)	−0.0116 (9)	−0.0026 (8)	0.0064 (9)
F8B	0.0285 (9)	0.0528 (10)	0.0417 (10)	−0.0132 (8)	−0.0146 (7)	0.0047 (8)
F9B	0.0565 (11)	0.0293 (9)	0.0816 (13)	0.0006 (8)	−0.0376 (9)	0.0039 (9)
O1C	0.0222 (11)	0.0463 (12)	0.0325 (11)	0.0075 (9)	−0.0073 (8)	−0.0196 (9)
O2C	0.0206 (10)	0.0341 (11)	0.0266 (10)	0.0029 (8)	−0.0013 (8)	−0.0119 (8)
C1C	0.0212 (15)	0.0261 (15)	0.0202 (15)	−0.0083 (12)	0.0004 (11)	−0.0036 (12)
C2C	0.0206 (14)	0.0238 (15)	0.0243 (14)	−0.0007 (11)	−0.0009 (11)	−0.0046 (12)
C3C	0.0199 (14)	0.0243 (15)	0.0228 (14)	−0.0027 (11)	−0.0001 (11)	−0.0040 (12)
C4C	0.0240 (14)	0.0226 (14)	0.0235 (14)	−0.0015 (12)	−0.0009 (11)	−0.0033 (12)
C5C	0.0246 (14)	0.0237 (15)	0.0267 (15)	−0.0020 (12)	−0.0008 (11)	−0.0032 (12)
C6C	0.0271 (15)	0.0276 (15)	0.0320 (16)	0.0010 (12)	−0.0046 (12)	−0.0092 (13)
C7C	0.0328 (16)	0.0252 (15)	0.0334 (16)	0.0060 (13)	−0.0086 (12)	−0.0088 (13)
C8C	0.0388 (17)	0.0328 (17)	0.0419 (17)	0.0100 (14)	−0.0165 (13)	−0.0149 (14)
C9C	0.0384 (17)	0.0320 (17)	0.0434 (18)	0.0105 (13)	−0.0191 (14)	−0.0192 (14)
C10C	0.0383 (17)	0.0322 (17)	0.0394 (17)	0.0085 (13)	−0.0171 (13)	−0.0133 (14)
C11C	0.0426 (16)	0.0336 (16)	0.0443 (18)	0.0119 (13)	−0.0216 (14)	−0.0215 (14)
C12C	0.0409 (17)	0.0239 (16)	0.0406 (16)	0.0038 (13)	−0.0148 (13)	−0.0119 (14)
F1C	0.0439 (10)	0.0304 (9)	0.0429 (10)	0.0089 (7)	−0.0181 (8)	−0.0159 (7)
F2C	0.0420 (10)	0.0564 (11)	0.0480 (10)	−0.0056 (8)	−0.0176 (8)	−0.0062 (9)
C13C	0.0376 (16)	0.0394 (16)	0.0440 (17)	0.0092 (13)	−0.0151 (12)	−0.0207 (15)
F3C	0.0554 (11)	0.0489 (11)	0.0415 (10)	−0.0030 (9)	−0.0194 (8)	−0.0060 (8)
F4C	0.0455 (10)	0.0487 (10)	0.0533 (11)	−0.0032 (8)	−0.0126 (8)	−0.0294 (9)
C14C	0.049 (3)	0.038 (3)	0.026 (3)	0.008 (3)	−0.008 (2)	−0.014 (3)
F5C	0.036 (3)	0.078 (4)	0.038 (3)	0.014 (3)	−0.0046 (18)	−0.016 (3)
F6C	0.057 (3)	0.039 (2)	0.051 (3)	0.0059 (19)	−0.023 (2)	−0.0145 (19)
C15C	0.034 (6)	0.053 (6)	0.043 (4)	0.002 (3)	−0.012 (3)	−0.017 (5)
F7C	0.062 (5)	0.038 (3)	0.029 (3)	0.001 (3)	−0.005 (3)	−0.011 (3)
F8C	0.046 (4)	0.076 (5)	0.044 (4)	−0.019 (4)	−0.022 (3)	−0.003 (4)
F9C	0.051 (4)	0.071 (4)	0.054 (4)	0.024 (3)	−0.028 (3)	−0.019 (3)
C14X	0.042 (3)	0.031 (3)	0.038 (4)	0.001 (3)	−0.014 (2)	−0.004 (3)
F5C'	0.052 (4)	0.039 (3)	0.068 (4)	0.010 (2)	−0.037 (3)	−0.022 (3)
F6C'	0.030 (2)	0.071 (3)	0.033 (2)	0.005 (2)	−0.0059 (15)	−0.010 (2)
C15X	0.027 (4)	0.040 (5)	0.036 (3)	−0.001 (4)	−0.004 (3)	−0.007 (4)
F7C'	0.042 (3)	0.071 (4)	0.054 (4)	0.020 (3)	−0.027 (3)	−0.024 (3)
F8C'	0.062 (4)	0.055 (3)	0.057 (3)	−0.012 (3)	−0.013 (3)	−0.027 (3)
F9C'	0.038 (4)	0.146 (7)	0.039 (4)	−0.033 (4)	−0.006 (3)	0.007 (5)
O1D	0.0247 (11)	0.0407 (12)	0.0293 (10)	0.0057 (9)	−0.0074 (8)	−0.0142 (9)
O2D	0.0221 (10)	0.0359 (11)	0.0278 (10)	0.0050 (8)	−0.0016 (8)	−0.0116 (9)
C1D	0.0211 (14)	0.0220 (15)	0.0211 (14)	−0.0063 (12)	−0.0003 (12)	0.0013 (12)
C2D	0.0167 (13)	0.0218 (14)	0.0230 (14)	−0.0022 (11)	−0.0002 (11)	−0.0030 (12)
C3D	0.0243 (14)	0.0249 (15)	0.0231 (14)	−0.0024 (12)	−0.0032 (11)	−0.0036 (12)
C4D	0.0232 (14)	0.0256 (15)	0.0264 (15)	−0.0012 (12)	−0.0037 (11)	−0.0073 (12)
C5D	0.0285 (14)	0.0226 (15)	0.0248 (14)	−0.0016 (12)	−0.0016 (11)	−0.0046 (12)
C6D	0.0246 (14)	0.0245 (15)	0.0205 (14)	−0.0011 (12)	−0.0016 (11)	−0.0026 (12)
C7D	0.0283 (15)	0.0241 (15)	0.0233 (15)	−0.0040 (12)	−0.0026 (11)	−0.0060 (12)
C8D	0.0256 (14)	0.0244 (15)	0.0222 (14)	−0.0049 (12)	−0.0022 (11)	−0.0025 (12)
C9D	0.0244 (14)	0.0227 (14)	0.0239 (14)	−0.0036 (11)	0.0008 (11)	−0.0061 (12)
C10D	0.0281 (15)	0.0212 (14)	0.0260 (14)	−0.0031 (12)	−0.0024 (11)	−0.0053 (12)
C11D	0.0242 (14)	0.0262 (14)	0.0259 (14)	−0.0031 (11)	−0.0010 (11)	−0.0080 (12)
C12D	0.0246 (15)	0.0204 (14)	0.0235 (13)	−0.0041 (11)	0.0013 (11)	−0.0065 (11)
F1D	0.0421 (9)	0.0243 (8)	0.0384 (9)	−0.0016 (7)	−0.0123 (7)	−0.0118 (7)
F2D	0.0241 (8)	0.0462 (10)	0.0293 (8)	−0.0012 (7)	0.0016 (7)	0.0002 (7)
C13D	0.025 (2)	0.023 (3)	0.027 (2)	0.004 (2)	0.0005 (17)	−0.012 (2)
F3D	0.0272 (18)	0.084 (5)	0.026 (2)	0.013 (2)	0.0053 (15)	−0.011 (3)
F4D	0.061 (4)	0.029 (3)	0.062 (6)	−0.001 (2)	−0.035 (3)	−0.016 (4)
C14D	0.024 (3)	0.028 (3)	0.022 (2)	0.0021 (19)	0.0041 (17)	−0.003 (2)
F5D	0.0254 (18)	0.059 (3)	0.0314 (16)	0.0133 (17)	0.0062 (12)	−0.0013 (19)
F6D	0.045 (2)	0.0288 (14)	0.0418 (17)	−0.0009 (12)	−0.0079 (14)	0.0035 (11)
C15D	0.034 (4)	0.049 (4)	0.035 (3)	0.010 (3)	−0.009 (2)	−0.010 (3)
F7D	0.056 (2)	0.094 (3)	0.028 (2)	0.023 (2)	−0.0085 (15)	−0.023 (2)
F8D	0.057 (3)	0.067 (3)	0.084 (3)	−0.016 (2)	−0.0403 (19)	−0.006 (2)
F9D	0.058 (3)	0.059 (3)	0.045 (3)	0.0284 (19)	−0.017 (2)	−0.005 (2)
C13Y	0.028 (5)	0.021 (6)	0.027 (3)	−0.013 (4)	−0.003 (3)	−0.002 (5)
F3D'	0.046 (8)	0.093 (14)	0.026 (4)	−0.036 (9)	−0.002 (7)	0.014 (9)
F4D'	0.090 (17)	0.019 (5)	0.044 (9)	−0.004 (5)	−0.039 (10)	−0.005 (5)
C14Y	0.036 (6)	0.045 (7)	0.042 (5)	−0.001 (5)	−0.019 (5)	−0.012 (6)
F5D'	0.026 (4)	0.164 (12)	0.037 (4)	−0.001 (5)	0.000 (3)	0.024 (5)
F6D'	0.097 (13)	0.073 (6)	0.128 (15)	0.052 (7)	−0.096 (11)	−0.067 (9)
C15Y	0.034 (8)	0.037 (8)	0.028 (4)	0.001 (6)	−0.005 (5)	0.000 (6)
F7D'	0.058 (6)	0.061 (8)	0.035 (7)	0.038 (5)	−0.025 (5)	−0.018 (6)
F8D'	0.061 (7)	0.224 (14)	0.080 (7)	−0.075 (9)	−0.052 (5)	0.108 (9)
F9D'	0.086 (10)	0.064 (5)	0.098 (10)	0.043 (5)	−0.071 (7)	−0.054 (6)
O1E	0.028 (3)	0.016 (2)	0.038 (3)	0.0016 (18)	−0.0057 (19)	0.0011 (17)
O2E	0.022 (2)	0.024 (2)	0.030 (2)	−0.0124 (17)	−0.0034 (18)	−0.0067 (17)
C1E	0.015 (3)	0.021 (2)	0.023 (3)	−0.006 (2)	0.003 (2)	−0.006 (2)
C2E	0.018 (6)	0.016 (6)	0.027 (9)	−0.003 (6)	0.000 (3)	−0.009 (6)
C3E	0.023 (3)	0.021 (3)	0.024 (4)	−0.006 (3)	0.003 (2)	−0.001 (3)
C4E	0.025 (4)	0.014 (5)	0.022 (6)	−0.007 (4)	−0.001 (2)	−0.004 (5)
C5E	0.024 (4)	0.022 (4)	0.027 (5)	−0.005 (3)	0.000 (2)	−0.005 (3)
C6E	0.026 (4)	0.018 (5)	0.029 (7)	−0.008 (4)	−0.003 (3)	0.001 (4)
C7E	0.028 (4)	0.025 (4)	0.023 (5)	−0.004 (3)	−0.003 (3)	−0.001 (3)
C8E	0.026 (5)	0.018 (4)	0.037 (6)	−0.003 (4)	−0.003 (3)	0.000 (3)
C9E	0.027 (5)	0.024 (4)	0.025 (4)	−0.002 (3)	−0.003 (3)	−0.004 (3)
C10E	0.030 (5)	0.028 (4)	0.029 (5)	−0.005 (4)	−0.002 (2)	−0.008 (3)
C11E	0.026 (4)	0.028 (4)	0.026 (4)	−0.002 (3)	−0.002 (3)	−0.010 (3)
C12E	0.026 (4)	0.027 (3)	0.022 (3)	−0.003 (3)	0.002 (2)	−0.009 (2)
F1E	0.0366 (18)	0.0243 (15)	0.0383 (18)	0.0021 (13)	−0.0057 (14)	−0.0141 (14)
F2E	0.0287 (17)	0.053 (2)	0.0270 (16)	−0.0098 (15)	0.0037 (13)	−0.0062 (14)
C13E	0.024 (3)	0.022 (3)	0.026 (3)	0.004 (3)	−0.001 (2)	−0.009 (2)
F3E	0.049 (2)	0.0269 (16)	0.055 (2)	0.0082 (15)	−0.0251 (16)	−0.0200 (15)
F4E	0.0254 (17)	0.049 (2)	0.0310 (17)	−0.0038 (14)	0.0041 (14)	0.0006 (14)
C14E	0.023 (3)	0.044 (3)	0.026 (3)	−0.001 (3)	0.001 (2)	−0.017 (2)
F5E	0.025 (2)	0.096 (3)	0.031 (2)	0.002 (3)	0.004 (2)	−0.0211 (19)
F6E	0.043 (2)	0.0375 (18)	0.043 (2)	−0.0089 (18)	−0.0109 (18)	−0.0110 (15)
C15E	0.030 (4)	0.048 (3)	0.033 (3)	−0.001 (3)	−0.009 (2)	−0.015 (3)
F7E	0.036 (2)	0.077 (3)	0.038 (3)	−0.021 (2)	−0.008 (2)	0.001 (2)
F8E	0.047 (2)	0.077 (3)	0.0290 (18)	−0.005 (2)	0.0004 (16)	0.0018 (17)
F9E	0.078 (3)	0.041 (2)	0.079 (3)	0.008 (2)	−0.046 (2)	−0.0117 (19)
O1F	0.027 (3)	0.019 (3)	0.041 (4)	−0.003 (3)	−0.008 (2)	−0.001 (3)
O2F	0.033 (2)	0.0212 (19)	0.033 (2)	−0.0074 (17)	−0.0014 (18)	−0.0018 (17)
C1F	0.025 (5)	0.019 (4)	0.013 (6)	−0.002 (5)	0.005 (3)	−0.001 (5)
C2F	0.027 (3)	0.021 (4)	0.025 (5)	0.000 (3)	−0.001 (2)	−0.005 (3)
C3F	0.025 (4)	0.020 (5)	0.022 (6)	−0.003 (4)	0.001 (3)	−0.003 (4)
C4F	0.028 (4)	0.024 (4)	0.025 (5)	0.000 (3)	−0.001 (3)	0.000 (3)
C5F	0.024 (4)	0.026 (5)	0.022 (6)	−0.002 (4)	0.002 (2)	0.001 (4)
C6F	0.023 (5)	0.025 (4)	0.026 (5)	−0.001 (3)	0.004 (3)	−0.003 (3)
C7F	0.019 (4)	0.024 (4)	0.030 (5)	0.001 (3)	0.000 (2)	−0.005 (3)
C8F	0.027 (6)	0.024 (4)	0.028 (5)	−0.003 (3)	−0.001 (3)	−0.008 (3)
C9F	0.033 (4)	0.032 (4)	0.028 (4)	−0.004 (3)	−0.007 (3)	−0.005 (3)
C10F	0.029 (5)	0.021 (4)	0.030 (4)	−0.004 (3)	−0.002 (3)	−0.009 (3)
C11F	0.031 (3)	0.022 (3)	0.033 (3)	0.005 (3)	−0.007 (2)	−0.012 (2)
C12F	0.030 (4)	0.027 (3)	0.025 (3)	−0.003 (3)	0.003 (2)	−0.011 (2)
F1F	0.054 (2)	0.0298 (18)	0.053 (2)	0.0053 (18)	−0.0261 (19)	−0.0173 (16)
F2F	0.026 (2)	0.087 (3)	0.036 (2)	0.000 (3)	0.002 (2)	0.0050 (19)
C13F	0.027 (3)	0.030 (2)	0.032 (3)	0.001 (2)	−0.0014 (19)	−0.011 (2)
F3F	0.0304 (19)	0.086 (3)	0.0323 (18)	−0.0075 (18)	0.0024 (15)	0.0041 (17)
F4F	0.084 (3)	0.0263 (18)	0.067 (2)	0.0044 (18)	−0.033 (2)	−0.0165 (16)
C14F	0.026 (3)	0.032 (3)	0.047 (4)	−0.003 (3)	−0.002 (2)	−0.005 (3)
F5F	0.072 (3)	0.042 (2)	0.149 (4)	0.016 (2)	−0.071 (3)	−0.040 (2)
F6F	0.027 (2)	0.132 (4)	0.053 (3)	0.007 (2)	0.004 (2)	0.023 (2)
C15F	0.029 (3)	0.059 (3)	0.040 (3)	0.010 (3)	−0.007 (2)	−0.006 (3)
F7F	0.041 (2)	0.255 (5)	0.031 (2)	0.019 (3)	−0.0066 (18)	0.002 (3)
F8F	0.107 (3)	0.044 (2)	0.098 (3)	0.000 (2)	−0.050 (2)	0.010 (2)
F9F	0.046 (2)	0.070 (4)	0.072 (4)	−0.010 (2)	−0.031 (2)	0.014 (3)

Geometric parameters (Å, º)

O1A—C1A	1.323 (2)	C2D—C3D	1.521 (3)
O1A—H1A	0.8400	C2D—H2D1	0.9900
O2A—C1A	1.220 (2)	C2D—H2D2	0.9900
C1A—C2A	1.493 (3)	C3D—C4D	1.528 (3)
C2A—C3A	1.522 (3)	C3D—H3D1	0.9900
C2A—H2A1	0.9900	C3D—H3D2	0.9900
C2A—H2A2	0.9900	C4D—C5D	1.521 (3)
C3A—C4A	1.518 (3)	C4D—H4D1	0.9900
C3A—H3A1	0.9900	C4D—H4D2	0.9900
C3A—H3A2	0.9900	C5D—C6D	1.519 (3)
C4A—C5A	1.524 (3)	C5D—H5D1	0.9900
C4A—H4A1	0.9900	C5D—H5D2	0.9900
C4A—H4A2	0.9900	C6D—C7D	1.520 (3)
C5A—C6A	1.519 (3)	C6D—H6D1	0.9900
C5A—H5A1	0.9900	C6D—H6D2	0.9900
C5A—H5A2	0.9900	C7D—C8D	1.522 (3)
C6A—C7A	1.523 (3)	C7D—H7D1	0.9900
C6A—H6A1	0.9900	C7D—H7D2	0.9900
C6A—H6A2	0.9900	C8D—C9D	1.523 (3)
C7A—C8A	1.523 (3)	C8D—H8D1	0.9900
C7A—H7A1	0.9900	C8D—H8D2	0.9900
C7A—H7A2	0.9900	C9D—C10D	1.519 (3)
C8A—C9A	1.516 (3)	C9D—H9D1	0.9900
C8A—H8A1	0.9900	C9D—H9D2	0.9900
C8A—H8A2	0.9900	C10D—C11D	1.531 (3)
C9A—C10A	1.514 (3)	C10D—H10G	0.9900
C9A—H9A1	0.9900	C10D—H10H	0.9900
C9A—H9A2	0.9900	C11D—C12D	1.495 (3)
C10A—C11A	1.520 (3)	C11D—H11G	0.9900
C10A—H10A	0.9900	C11D—H11H	0.9900
C10A—H10B	0.9900	C12D—F1D	1.356 (2)
C11A—C12A	1.496 (3)	C12D—F2D	1.368 (2)
C11A—H11A	0.9900	C12D—C13D	1.529 (10)
C11A—H11B	0.9900	C12D—C13Y	1.56 (3)
C12A—F1A	1.352 (3)	C13D—F3D	1.343 (12)
C12A—F2A	1.353 (3)	C13D—F4D	1.357 (10)
C12A—C13A	1.538 (3)	C13D—C14D	1.543 (10)
C13A—F3A	1.335 (2)	C14D—F6D	1.347 (6)
C13A—F4A	1.337 (2)	C14D—F5D	1.352 (6)
C13A—C14A	1.544 (3)	C14D—C15D	1.525 (11)
C14A—F6A	1.329 (3)	C15D—F7D	1.307 (13)
C14A—F5A	1.338 (3)	C15D—F9D	1.307 (13)
C14A—C15A	1.546 (3)	C15D—F8D	1.334 (13)
C15A—F7A	1.309 (3)	C13Y—F4D'	1.30 (3)
C15A—F8A	1.312 (3)	C13Y—F3D'	1.31 (3)
C15A—F9A	1.324 (3)	C13Y—C14Y	1.55 (3)
O1B—C1B	1.326 (3)	C14Y—F6D'	1.29 (2)
O1B—H1B	0.8400	C14Y—F5D'	1.30 (2)
O2B—C1B	1.212 (2)	C14Y—C15Y	1.58 (3)
C1B—C2B	1.501 (3)	C15Y—F9D'	1.25 (3)
C2B—C3B	1.515 (3)	C15Y—F8D'	1.31 (3)
C2B—H2B1	0.9900	C15Y—F7D'	1.33 (3)
C2B—H2B2	0.9900	O1E—O2E^i	0.946 (4)
C3B—C4B	1.526 (3)	O1E—C1E	1.306 (5)
C3B—H3B1	0.9900	O1E—H1E	0.8400
C3B—H3B2	0.9900	O2E—O1E^i	0.946 (4)
C4B—C5B	1.522 (3)	O2E—C1E	1.212 (5)
C4B—H4B1	0.9900	O2E—C1E^i	1.602 (5)
C4B—H4B2	0.9900	C1E—C2E	1.496 (7)
C5B—C6B	1.528 (3)	C1E—O2E^i	1.602 (5)
C5B—H5B1	0.9900	C2E—C3E	1.536 (6)
C5B—H5B2	0.9900	C2E—H2E1	0.9900
C6B—C7B	1.517 (3)	C2E—H2E2	0.9900
C6B—H6B1	0.9900	C3E—C4E	1.522 (7)
C6B—H6B2	0.9900	C3E—H3E1	0.9900
C7B—C8B	1.520 (3)	C3E—H3E2	0.9900
C7B—H7B1	0.9900	C4E—C5E	1.527 (7)
C7B—H7B2	0.9900	C4E—H4E1	0.9900
C8B—C9B	1.524 (3)	C4E—H4E2	0.9900
C8B—H8B1	0.9900	C5E—C6E	1.511 (7)
C8B—H8B2	0.9900	C5E—H5E1	0.9900
C9B—C10B	1.524 (3)	C5E—H5E2	0.9900
C9B—H9B1	0.9900	C6E—C7E	1.525 (7)
C9B—H9B2	0.9900	C6E—H6E1	0.9900
C10B—C11B	1.526 (3)	C6E—H6E2	0.9900
C10B—H10C	0.9900	C7E—C8E	1.510 (8)
C10B—H10D	0.9900	C7E—H7E1	0.9900
C11B—C12B	1.490 (3)	C7E—H7E2	0.9900
C11B—H11C	0.9900	C8E—C9E	1.533 (7)
C11B—H11D	0.9900	C8E—H8E1	0.9900
C12B—F2B	1.361 (2)	C8E—H8E2	0.9900
C12B—F1B	1.371 (2)	C9E—C10E	1.510 (7)
C12B—C13B	1.539 (3)	C9E—H9E1	0.9900
C13B—F4B	1.347 (2)	C9E—H9E2	0.9900
C13B—F3B	1.355 (2)	C10E—C11E	1.520 (8)
C13B—C14B	1.535 (3)	C10E—H10I	0.9900
C14B—F5B	1.338 (2)	C10E—H10J	0.9900
C14B—F6B	1.346 (2)	C11E—C12E	1.501 (7)
C14B—C15B	1.537 (3)	C11E—H11I	0.9900
C15B—F7B	1.312 (3)	C11E—H11J	0.9900
C15B—F9B	1.318 (3)	C12E—F1E	1.359 (7)
C15B—F8B	1.332 (3)	C12E—F2E	1.371 (7)
O1C—C1C	1.321 (2)	C12E—C13E	1.545 (8)
O1C—H1C	0.8400	C13E—F3E	1.335 (7)
O2C—C1C	1.220 (2)	C13E—F4E	1.345 (7)
C1C—C2C	1.498 (3)	C13E—C14E	1.553 (7)
C2C—C3C	1.522 (3)	C14E—F6E	1.318 (6)
C2C—H2C1	0.9900	C14E—F5E	1.358 (6)
C2C—H2C2	0.9900	C14E—C15E	1.529 (7)
C3C—C4C	1.524 (3)	C15E—F9E	1.306 (8)
C3C—H3C1	0.9900	C15E—F8E	1.312 (8)
C3C—H3C2	0.9900	C15E—F7E	1.313 (7)
C4C—C5C	1.518 (3)	O1F—C1F	1.320 (7)
C4C—H4C1	0.9900	O1F—H1F	0.8400
C4C—H4C2	0.9900	O2F—C1F	1.222 (7)
C5C—C6C	1.527 (3)	C1F—C2F	1.498 (8)
C5C—H5C1	0.9900	C2F—C3F	1.522 (7)
C5C—H5C2	0.9900	C2F—H2F1	0.9900
C6C—C7C	1.515 (3)	C2F—H2F2	0.9900
C6C—H6C1	0.9900	C3F—C4F	1.524 (8)
C6C—H6C2	0.9900	C3F—H3F1	0.9900
C7C—C8C	1.528 (3)	C3F—H3F2	0.9900
C7C—H7C1	0.9900	C4F—C5F	1.516 (7)
C7C—H7C2	0.9900	C4F—H4F1	0.9900
C8C—C9C	1.519 (3)	C4F—H4F2	0.9900
C8C—H8C1	0.9900	C5F—C6F	1.514 (8)
C8C—H8C2	0.9900	C5F—H5F1	0.9900
C9C—C10C	1.522 (3)	C5F—H5F2	0.9900
C9C—H9C1	0.9900	C6F—C7F	1.520 (7)
C9C—H9C2	0.9900	C6F—H6F1	0.9900
C10C—C11C	1.533 (3)	C6F—H6F2	0.9900
C10C—H10E	0.9900	C7F—C8F	1.522 (7)
C10C—H10F	0.9900	C7F—H7F1	0.9900
C11C—C12C	1.491 (3)	C7F—H7F2	0.9900
C11C—H11E	0.9900	C8F—C9F	1.523 (8)
C11C—H11F	0.9900	C8F—H8F1	0.9900
C12C—F1C	1.360 (3)	C8F—H8F2	0.9900
C12C—F2C	1.367 (3)	C9F—C10F	1.508 (7)
C12C—C13C	1.543 (3)	C9F—H9F1	0.9900
C13C—F3C	1.343 (3)	C9F—H9F2	0.9900
C13C—F4C	1.348 (3)	C10F—C11F	1.515 (7)
C13C—C14C	1.553 (8)	C10F—H10K	0.9900
C13C—C14X	1.557 (9)	C10F—H10L	0.9900
C14C—F5C	1.337 (7)	C11F—C12F	1.495 (7)
C14C—F6C	1.367 (8)	C11F—H11K	0.9900
C14C—C15C	1.524 (11)	C11F—H11L	0.9900
C15C—F7C	1.296 (11)	C12F—F2F	1.352 (8)
C15C—F9C	1.308 (12)	C12F—F1F	1.361 (7)
C15C—F8C	1.332 (9)	C12F—C13F	1.546 (8)
C14X—F5C'	1.334 (8)	C13F—F3F	1.333 (5)
C14X—F6C'	1.341 (9)	C13F—F4F	1.340 (5)
C14X—C15X	1.570 (14)	C13F—C14F	1.548 (8)
C15X—F9C'	1.288 (12)	C14F—F5F	1.327 (8)
C15X—F8C'	1.323 (10)	C14F—F6F	1.333 (8)
C15X—F7C'	1.334 (13)	C14F—C15F	1.510 (7)
O1D—C1D	1.320 (2)	C15F—F9F^ii	1.269 (7)
O1D—H1D	0.8400	C15F—F7F	1.277 (6)
O2D—C1D	1.222 (2)	C15F—F8F	1.303 (6)
C1D—C2D	1.492 (3)	C15F—F9F	1.316 (6)
C1A—O1A—H1A	109.5	C1D—C2D—C3D	115.41 (19)
O2A—C1A—O1A	123.4 (2)	C1D—C2D—H2D1	108.4
O2A—C1A—C2A	124.6 (2)	C3D—C2D—H2D1	108.4
O1A—C1A—C2A	112.0 (2)	C1D—C2D—H2D2	108.4
C1A—C2A—C3A	116.4 (2)	C3D—C2D—H2D2	108.4
C1A—C2A—H2A1	108.2	H2D1—C2D—H2D2	107.5
C3A—C2A—H2A1	108.2	C2D—C3D—C4D	110.56 (18)
C1A—C2A—H2A2	108.2	C2D—C3D—H3D1	109.5
C3A—C2A—H2A2	108.2	C4D—C3D—H3D1	109.5
H2A1—C2A—H2A2	107.3	C2D—C3D—H3D2	109.5
C4A—C3A—C2A	110.93 (19)	C4D—C3D—H3D2	109.5
C4A—C3A—H3A1	109.5	H3D1—C3D—H3D2	108.1
C2A—C3A—H3A1	109.5	C5D—C4D—C3D	114.65 (19)
C4A—C3A—H3A2	109.5	C5D—C4D—H4D1	108.6
C2A—C3A—H3A2	109.5	C3D—C4D—H4D1	108.6
H3A1—C3A—H3A2	108.0	C5D—C4D—H4D2	108.6
C3A—C4A—C5A	115.19 (19)	C3D—C4D—H4D2	108.6
C3A—C4A—H4A1	108.5	H4D1—C4D—H4D2	107.6
C5A—C4A—H4A1	108.5	C6D—C5D—C4D	111.84 (19)
C3A—C4A—H4A2	108.5	C6D—C5D—H5D1	109.2
C5A—C4A—H4A2	108.5	C4D—C5D—H5D1	109.2
H4A1—C4A—H4A2	107.5	C6D—C5D—H5D2	109.2
C6A—C5A—C4A	112.94 (19)	C4D—C5D—H5D2	109.2
C6A—C5A—H5A1	109.0	H5D1—C5D—H5D2	107.9
C4A—C5A—H5A1	109.0	C5D—C6D—C7D	114.76 (19)
C6A—C5A—H5A2	109.0	C5D—C6D—H6D1	108.6
C4A—C5A—H5A2	109.0	C7D—C6D—H6D1	108.6
H5A1—C5A—H5A2	107.8	C5D—C6D—H6D2	108.6
C5A—C6A—C7A	114.61 (19)	C7D—C6D—H6D2	108.6
C5A—C6A—H6A1	108.6	H6D1—C6D—H6D2	107.6
C7A—C6A—H6A1	108.6	C6D—C7D—C8D	112.71 (19)
C5A—C6A—H6A2	108.6	C6D—C7D—H7D1	109.0
C7A—C6A—H6A2	108.6	C8D—C7D—H7D1	109.0
H6A1—C6A—H6A2	107.6	C6D—C7D—H7D2	109.0
C8A—C7A—C6A	113.7 (2)	C8D—C7D—H7D2	109.0
C8A—C7A—H7A1	108.8	H7D1—C7D—H7D2	107.8
C6A—C7A—H7A1	108.8	C7D—C8D—C9D	113.59 (19)
C8A—C7A—H7A2	108.8	C7D—C8D—H8D1	108.8
C6A—C7A—H7A2	108.8	C9D—C8D—H8D1	108.8
H7A1—C7A—H7A2	107.7	C7D—C8D—H8D2	108.8
C9A—C8A—C7A	114.1 (2)	C9D—C8D—H8D2	108.8
C9A—C8A—H8A1	108.7	H8D1—C8D—H8D2	107.7
C7A—C8A—H8A1	108.7	C10D—C9D—C8D	113.09 (19)
C9A—C8A—H8A2	108.7	C10D—C9D—H9D1	109.0
C7A—C8A—H8A2	108.7	C8D—C9D—H9D1	109.0
H8A1—C8A—H8A2	107.6	C10D—C9D—H9D2	109.0
C10A—C9A—C8A	113.6 (2)	C8D—C9D—H9D2	109.0
C10A—C9A—H9A1	108.8	H9D1—C9D—H9D2	107.8
C8A—C9A—H9A1	108.8	C9D—C10D—C11D	111.74 (19)
C10A—C9A—H9A2	108.8	C9D—C10D—H10G	109.3
C8A—C9A—H9A2	108.8	C11D—C10D—H10G	109.3
H9A1—C9A—H9A2	107.7	C9D—C10D—H10H	109.3
C9A—C10A—C11A	113.5 (2)	C11D—C10D—H10H	109.3
C9A—C10A—H10A	108.9	H10G—C10D—H10H	107.9
C11A—C10A—H10A	108.9	C12D—C11D—C10D	113.23 (19)
C9A—C10A—H10B	108.9	C12D—C11D—H11G	108.9
C11A—C10A—H10B	108.9	C10D—C11D—H11G	108.9
H10A—C10A—H10B	107.7	C12D—C11D—H11H	108.9
C12A—C11A—C10A	113.0 (2)	C10D—C11D—H11H	108.9
C12A—C11A—H11A	109.0	H11G—C11D—H11H	107.7
C10A—C11A—H11A	109.0	F1D—C12D—F2D	105.81 (18)
C12A—C11A—H11B	109.0	F1D—C12D—C11D	111.16 (19)
C10A—C11A—H11B	109.0	F2D—C12D—C11D	110.49 (19)
H11A—C11A—H11B	107.8	F1D—C12D—C13D	109.0 (4)
F1A—C12A—F2A	106.3 (2)	F2D—C12D—C13D	106.7 (5)
F1A—C12A—C11A	109.89 (19)	C11D—C12D—C13D	113.3 (4)
F2A—C12A—C11A	110.59 (19)	F1D—C12D—C13Y	103.8 (10)
F1A—C12A—C13A	107.04 (18)	F2D—C12D—C13Y	108.0 (12)
F2A—C12A—C13A	107.12 (19)	C11D—C12D—C13Y	116.9 (11)
C11A—C12A—C13A	115.5 (2)	F3D—C13D—F4D	107.6 (9)
F3A—C13A—F4A	107.9 (2)	F3D—C13D—C12D	108.4 (9)
F3A—C13A—C12A	108.70 (19)	F4D—C13D—C12D	108.4 (11)
F4A—C13A—C12A	108.05 (19)	F3D—C13D—C14D	106.1 (7)
F3A—C13A—C14A	107.89 (19)	F4D—C13D—C14D	109.7 (11)
F4A—C13A—C14A	107.8 (2)	C12D—C13D—C14D	116.3 (7)
C12A—C13A—C14A	116.3 (2)	F6D—C14D—F5D	106.4 (5)
F6A—C14A—F5A	108.1 (2)	F6D—C14D—C15D	106.9 (6)
F6A—C14A—C13A	110.3 (2)	F5D—C14D—C15D	107.4 (6)
F5A—C14A—C13A	109.2 (2)	F6D—C14D—C13D	109.3 (6)
F6A—C14A—C15A	107.1 (2)	F5D—C14D—C13D	108.9 (6)
F5A—C14A—C15A	106.5 (2)	C15D—C14D—C13D	117.4 (8)
C13A—C14A—C15A	115.4 (2)	F7D—C15D—F9D	109.2 (9)
F7A—C15A—F8A	109.3 (2)	F7D—C15D—F8D	108.0 (9)
F7A—C15A—F9A	107.6 (2)	F9D—C15D—F8D	107.9 (9)
F8A—C15A—F9A	108.2 (2)	F7D—C15D—C14D	109.7 (9)
F7A—C15A—C14A	111.1 (2)	F9D—C15D—C14D	111.9 (9)
F8A—C15A—C14A	111.7 (2)	F8D—C15D—C14D	110.1 (9)
F9A—C15A—C14A	108.8 (2)	F4D'—C13Y—F3D'	108 (3)
C1B—O1B—H1B	109.5	F4D'—C13Y—C14Y	101 (3)
O2B—C1B—O1B	123.1 (2)	F3D'—C13Y—C14Y	114 (2)
O2B—C1B—C2B	125.6 (2)	F4D'—C13Y—C12D	106 (3)
O1B—C1B—C2B	111.2 (2)	F3D'—C13Y—C12D	109 (2)
C1B—C2B—C3B	115.92 (19)	C14Y—C13Y—C12D	118 (2)
C1B—C2B—H2B1	108.3	F6D'—C14Y—F5D'	113 (2)
C3B—C2B—H2B1	108.3	F6D'—C14Y—C13Y	107.2 (16)
C1B—C2B—H2B2	108.3	F5D'—C14Y—C13Y	111.3 (18)
C3B—C2B—H2B2	108.3	F6D'—C14Y—C15Y	108.4 (19)
H2B1—C2B—H2B2	107.4	F5D'—C14Y—C15Y	105.2 (16)
C2B—C3B—C4B	110.52 (18)	C13Y—C14Y—C15Y	112 (2)
C2B—C3B—H3B1	109.5	F9D'—C15Y—F8D'	111 (3)
C4B—C3B—H3B1	109.5	F9D'—C15Y—F7D'	109 (2)
C2B—C3B—H3B2	109.5	F8D'—C15Y—F7D'	105 (2)
C4B—C3B—H3B2	109.5	F9D'—C15Y—C14Y	113 (2)
H3B1—C3B—H3B2	108.1	F8D'—C15Y—C14Y	114 (2)
C5B—C4B—C3B	115.13 (19)	F7D'—C15Y—C14Y	104 (2)
C5B—C4B—H4B1	108.5	O2E—C1E—O1E	123.0 (4)
C3B—C4B—H4B1	108.5	O2E—C1E—C2E	123.6 (5)
C5B—C4B—H4B2	108.5	O1E—C1E—C2E	113.3 (5)
C3B—C4B—H4B2	108.5	C1E—C2E—C3E	115.4 (5)
H4B1—C4B—H4B2	107.5	C1E—C2E—H2E1	108.4
C4B—C5B—C6B	112.77 (19)	C3E—C2E—H2E1	108.4
C4B—C5B—H5B1	109.0	C1E—C2E—H2E2	108.4
C6B—C5B—H5B1	109.0	C3E—C2E—H2E2	108.4
C4B—C5B—H5B2	109.0	H2E1—C2E—H2E2	107.5
C6B—C5B—H5B2	109.0	C4E—C3E—C2E	109.9 (5)
H5B1—C5B—H5B2	107.8	C4E—C3E—H3E1	109.7
C7B—C6B—C5B	114.98 (19)	C2E—C3E—H3E1	109.7
C7B—C6B—H6B1	108.5	C4E—C3E—H3E2	109.7
C5B—C6B—H6B1	108.5	C2E—C3E—H3E2	109.7
C7B—C6B—H6B2	108.5	H3E1—C3E—H3E2	108.2
C5B—C6B—H6B2	108.5	C3E—C4E—C5E	114.6 (5)
H6B1—C6B—H6B2	107.5	C3E—C4E—H4E1	108.6
C6B—C7B—C8B	113.10 (19)	C5E—C4E—H4E1	108.6
C6B—C7B—H7B1	109.0	C3E—C4E—H4E2	108.6
C8B—C7B—H7B1	109.0	C5E—C4E—H4E2	108.6
C6B—C7B—H7B2	109.0	H4E1—C4E—H4E2	107.6
C8B—C7B—H7B2	109.0	C6E—C5E—C4E	111.9 (5)
H7B1—C7B—H7B2	107.8	C6E—C5E—H5E1	109.2
C7B—C8B—C9B	114.43 (19)	C4E—C5E—H5E1	109.2
C7B—C8B—H8B1	108.7	C6E—C5E—H5E2	109.2
C9B—C8B—H8B1	108.7	C4E—C5E—H5E2	109.2
C7B—C8B—H8B2	108.7	H5E1—C5E—H5E2	107.9
C9B—C8B—H8B2	108.7	C5E—C6E—C7E	115.9 (6)
H8B1—C8B—H8B2	107.6	C5E—C6E—H6E1	108.3
C10B—C9B—C8B	112.14 (18)	C7E—C6E—H6E1	108.3
C10B—C9B—H9B1	109.2	C5E—C6E—H6E2	108.3
C8B—C9B—H9B1	109.2	C7E—C6E—H6E2	108.3
C10B—C9B—H9B2	109.2	H6E1—C6E—H6E2	107.4
C8B—C9B—H9B2	109.2	C8E—C7E—C6E	113.1 (5)
H9B1—C9B—H9B2	107.9	C8E—C7E—H7E1	109.0
C9B—C10B—C11B	112.49 (19)	C6E—C7E—H7E1	109.0
C9B—C10B—H10C	109.1	C8E—C7E—H7E2	109.0
C11B—C10B—H10C	109.1	C6E—C7E—H7E2	109.0
C9B—C10B—H10D	109.1	H7E1—C7E—H7E2	107.8
C11B—C10B—H10D	109.1	C7E—C8E—C9E	115.1 (6)
H10C—C10B—H10D	107.8	C7E—C8E—H8E1	108.5
C12B—C11B—C10B	113.00 (19)	C9E—C8E—H8E1	108.5
C12B—C11B—H11C	109.0	C7E—C8E—H8E2	108.5
C10B—C11B—H11C	109.0	C9E—C8E—H8E2	108.5
C12B—C11B—H11D	109.0	H8E1—C8E—H8E2	107.5
C10B—C11B—H11D	109.0	C10E—C9E—C8E	112.7 (5)
H11C—C11B—H11D	107.8	C10E—C9E—H9E1	109.0
F2B—C12B—F1B	105.42 (18)	C8E—C9E—H9E1	109.0
F2B—C12B—C11B	110.92 (19)	C10E—C9E—H9E2	109.0
F1B—C12B—C11B	110.86 (19)	C8E—C9E—H9E2	109.0
F2B—C12B—C13B	106.99 (17)	H9E1—C9E—H9E2	107.8
F1B—C12B—C13B	106.41 (18)	C9E—C10E—C11E	112.7 (6)
C11B—C12B—C13B	115.63 (19)	C9E—C10E—H10I	109.0
F4B—C13B—F3B	107.73 (18)	C11E—C10E—H10I	109.0
F4B—C13B—C14B	108.47 (19)	C9E—C10E—H10J	109.0
F3B—C13B—C14B	107.26 (18)	C11E—C10E—H10J	109.0
F4B—C13B—C12B	107.84 (18)	H10I—C10E—H10J	107.8
F3B—C13B—C12B	107.71 (18)	C12E—C11E—C10E	113.2 (5)
C14B—C13B—C12B	117.45 (19)	C12E—C11E—H11I	108.9
F5B—C14B—F6B	107.76 (19)	C10E—C11E—H11I	108.9
F5B—C14B—C13B	109.36 (18)	C12E—C11E—H11J	108.9
F6B—C14B—C13B	109.00 (19)	C10E—C11E—H11J	108.9
F5B—C14B—C15B	107.14 (19)	H11I—C11E—H11J	107.8
F6B—C14B—C15B	106.44 (19)	F1E—C12E—F2E	105.6 (5)
C13B—C14B—C15B	116.8 (2)	F1E—C12E—C11E	110.8 (6)
F7B—C15B—F9B	109.3 (2)	F2E—C12E—C11E	110.4 (6)
F7B—C15B—F8B	108.0 (2)	F1E—C12E—C13E	107.3 (5)
F9B—C15B—F8B	108.3 (2)	F2E—C12E—C13E	107.2 (5)
F7B—C15B—C14B	111.3 (2)	C11E—C12E—C13E	115.1 (6)
F9B—C15B—C14B	110.7 (2)	F3E—C13E—F4E	108.6 (5)
F8B—C15B—C14B	109.0 (2)	F3E—C13E—C12E	108.2 (5)
C1C—O1C—H1C	109.5	F4E—C13E—C12E	108.1 (5)
O2C—C1C—O1C	123.5 (2)	F3E—C13E—C14E	107.4 (5)
O2C—C1C—C2C	124.4 (2)	F4E—C13E—C14E	107.8 (5)
O1C—C1C—C2C	112.2 (2)	C12E—C13E—C14E	116.5 (6)
C1C—C2C—C3C	115.58 (19)	F6E—C14E—F5E	108.5 (5)
C1C—C2C—H2C1	108.4	F6E—C14E—C15E	108.7 (5)
C3C—C2C—H2C1	108.4	F5E—C14E—C15E	106.5 (5)
C1C—C2C—H2C2	108.4	F6E—C14E—C13E	109.3 (5)
C3C—C2C—H2C2	108.4	F5E—C14E—C13E	107.8 (5)
H2C1—C2C—H2C2	107.4	C15E—C14E—C13E	115.8 (5)
C2C—C3C—C4C	110.61 (18)	F9E—C15E—F8E	110.4 (6)
C2C—C3C—H3C1	109.5	F9E—C15E—F7E	108.7 (6)
C4C—C3C—H3C1	109.5	F8E—C15E—F7E	107.6 (6)
C2C—C3C—H3C2	109.5	F9E—C15E—C14E	111.7 (5)
C4C—C3C—H3C2	109.5	F8E—C15E—C14E	111.0 (5)
H3C1—C3C—H3C2	108.1	F7E—C15E—C14E	107.3 (6)
C5C—C4C—C3C	114.95 (19)	C1F—O1F—H1F	109.5
C5C—C4C—H4C1	108.5	O2F—C1F—O1F	124.1 (6)
C3C—C4C—H4C1	108.5	O2F—C1F—C2F	124.5 (6)
C5C—C4C—H4C2	108.5	O1F—C1F—C2F	111.4 (6)
C3C—C4C—H4C2	108.5	C1F—C2F—C3F	115.5 (6)
H4C1—C4C—H4C2	107.5	C1F—C2F—H2F1	108.4
C4C—C5C—C6C	112.60 (19)	C3F—C2F—H2F1	108.4
C4C—C5C—H5C1	109.1	C1F—C2F—H2F2	108.4
C6C—C5C—H5C1	109.1	C3F—C2F—H2F2	108.4
C4C—C5C—H5C2	109.1	H2F1—C2F—H2F2	107.5
C6C—C5C—H5C2	109.1	C2F—C3F—C4F	111.1 (5)
H5C1—C5C—H5C2	107.8	C2F—C3F—H3F1	109.4
C7C—C6C—C5C	114.9 (2)	C4F—C3F—H3F1	109.4
C7C—C6C—H6C1	108.5	C2F—C3F—H3F2	109.4
C5C—C6C—H6C1	108.5	C4F—C3F—H3F2	109.4
C7C—C6C—H6C2	108.5	H3F1—C3F—H3F2	108.0
C5C—C6C—H6C2	108.5	C5F—C4F—C3F	116.3 (6)
H6C1—C6C—H6C2	107.5	C5F—C4F—H4F1	108.2
C6C—C7C—C8C	113.5 (2)	C3F—C4F—H4F1	108.2
C6C—C7C—H7C1	108.9	C5F—C4F—H4F2	108.2
C8C—C7C—H7C1	108.9	C3F—C4F—H4F2	108.2
C6C—C7C—H7C2	108.9	H4F1—C4F—H4F2	107.4
C8C—C7C—H7C2	108.9	C6F—C5F—C4F	113.7 (6)
H7C1—C7C—H7C2	107.7	C6F—C5F—H5F1	108.8
C9C—C8C—C7C	113.5 (2)	C4F—C5F—H5F1	108.8
C9C—C8C—H8C1	108.9	C6F—C5F—H5F2	108.8
C7C—C8C—H8C1	108.9	C4F—C5F—H5F2	108.8
C9C—C8C—H8C2	108.9	H5F1—C5F—H5F2	107.7
C7C—C8C—H8C2	108.9	C5F—C6F—C7F	115.5 (6)
H8C1—C8C—H8C2	107.7	C5F—C6F—H6F1	108.4
C8C—C9C—C10C	113.8 (2)	C7F—C6F—H6F1	108.4
C8C—C9C—H9C1	108.8	C5F—C6F—H6F2	108.4
C10C—C9C—H9C1	108.8	C7F—C6F—H6F2	108.4
C8C—C9C—H9C2	108.8	H6F1—C6F—H6F2	107.5
C10C—C9C—H9C2	108.8	C6F—C7F—C8F	113.4 (5)
H9C1—C9C—H9C2	107.7	C6F—C7F—H7F1	108.9
C9C—C10C—C11C	111.7 (2)	C8F—C7F—H7F1	108.9
C9C—C10C—H10E	109.3	C6F—C7F—H7F2	108.9
C11C—C10C—H10E	109.3	C8F—C7F—H7F2	108.9
C9C—C10C—H10F	109.3	H7F1—C7F—H7F2	107.7
C11C—C10C—H10F	109.3	C7F—C8F—C9F	113.4 (6)
H10E—C10C—H10F	107.9	C7F—C8F—H8F1	108.9
C12C—C11C—C10C	113.1 (2)	C9F—C8F—H8F1	108.9
C12C—C11C—H11E	109.0	C7F—C8F—H8F2	108.9
C10C—C11C—H11E	109.0	C9F—C8F—H8F2	108.9
C12C—C11C—H11F	109.0	H8F1—C8F—H8F2	107.7
C10C—C11C—H11F	109.0	C10F—C9F—C8F	113.8 (6)
H11E—C11C—H11F	107.8	C10F—C9F—H9F1	108.8
F1C—C12C—F2C	105.5 (2)	C8F—C9F—H9F1	108.8
F1C—C12C—C11C	110.8 (2)	C10F—C9F—H9F2	108.8
F2C—C12C—C11C	110.9 (2)	C8F—C9F—H9F2	108.8
F1C—C12C—C13C	106.8 (2)	H9F1—C9F—H9F2	107.7
F2C—C12C—C13C	107.1 (2)	C9F—C10F—C11F	112.8 (6)
C11C—C12C—C13C	115.1 (2)	C9F—C10F—H10K	109.0
F3C—C13C—F4C	107.2 (2)	C11F—C10F—H10K	109.0
F3C—C13C—C12C	108.2 (2)	C9F—C10F—H10L	109.0
F4C—C13C—C12C	108.2 (2)	C11F—C10F—H10L	109.0
F3C—C13C—C14C	96.9 (3)	H10K—C10F—H10L	107.8
F4C—C13C—C14C	116.0 (4)	C12F—C11F—C10F	113.6 (5)
C12C—C13C—C14C	118.9 (4)	C12F—C11F—H11K	108.8
F3C—C13C—C14X	118.1 (4)	C10F—C11F—H11K	108.8
F4C—C13C—C14X	99.2 (3)	C12F—C11F—H11L	108.8
C12C—C13C—C14X	114.9 (4)	C10F—C11F—H11L	108.8
F5C—C14C—F6C	106.9 (7)	H11K—C11F—H11L	107.7
F5C—C14C—C15C	109.2 (7)	F2F—C12F—F1F	105.6 (5)
F6C—C14C—C15C	106.5 (6)	F2F—C12F—C11F	110.8 (6)
F5C—C14C—C13C	103.9 (5)	F1F—C12F—C11F	110.2 (5)
F6C—C14C—C13C	111.8 (5)	F2F—C12F—C13F	108.0 (5)
C15C—C14C—C13C	118.0 (7)	F1F—C12F—C13F	107.2 (5)
F7C—C15C—F9C	109.0 (9)	C11F—C12F—C13F	114.6 (5)
F7C—C15C—F8C	109.5 (10)	F3F—C13F—F4F	107.8 (5)
F9C—C15C—F8C	108.1 (9)	F3F—C13F—C12F	108.9 (4)
F7C—C15C—C14C	111.2 (9)	F4F—C13F—C12F	108.4 (4)
F9C—C15C—C14C	109.6 (9)	F3F—C13F—C14F	107.6 (5)
F8C—C15C—C14C	109.4 (8)	F4F—C13F—C14F	107.4 (5)
F5C'—C14X—F6C'	108.6 (8)	C12F—C13F—C14F	116.5 (5)
F5C'—C14X—C13C	105.8 (6)	F5F—C14F—F6F	107.9 (7)
F6C'—C14X—C13C	116.5 (6)	F5F—C14F—C15F	107.2 (6)
F5C'—C14X—C15X	105.4 (7)	F6F—C14F—C15F	106.6 (6)
F6C'—C14X—C15X	105.4 (7)	F5F—C14F—C13F	107.7 (6)
C13C—C14X—C15X	114.4 (8)	F6F—C14F—C13F	109.2 (6)
F9C'—C15X—F8C'	107.8 (11)	C15F—C14F—C13F	117.8 (6)
F9C'—C15X—F7C'	110.5 (11)	F9F^ii—C15F—F7F	74.7 (4)
F8C'—C15X—F7C'	107.4 (9)	F9F^ii—C15F—F8F	91.2 (4)
F9C'—C15X—C14X	113.0 (11)	F7F—C15F—F8F	107.3 (6)
F8C'—C15X—C14X	109.5 (9)	F7F—C15F—F9F	109.2 (5)
F7C'—C15X—C14X	108.6 (9)	F8F—C15F—F9F	106.1 (5)
C1D—O1D—H1D	109.5	F9F^ii—C15F—C14F	150.9 (6)
O2D—C1D—O1D	123.3 (2)	F7F—C15F—C14F	112.8 (5)
O2D—C1D—C2D	124.3 (2)	F8F—C15F—C14F	111.6 (5)
O1D—C1D—C2D	112.4 (2)	F9F—C15F—C14F	109.5 (5)
O2A—C1A—C2A—C3A	1.2 (3)	C2D—C3D—C4D—C5D	178.36 (19)
O1A—C1A—C2A—C3A	−178.60 (19)	C3D—C4D—C5D—C6D	179.41 (19)
C1A—C2A—C3A—C4A	176.08 (19)	C4D—C5D—C6D—C7D	176.15 (19)
C2A—C3A—C4A—C5A	172.77 (19)	C5D—C6D—C7D—C8D	−176.3 (2)
C3A—C4A—C5A—C6A	−177.37 (19)	C6D—C7D—C8D—C9D	176.66 (19)
C4A—C5A—C6A—C7A	170.13 (19)	C7D—C8D—C9D—C10D	−173.15 (19)
C5A—C6A—C7A—C8A	−177.17 (19)	C8D—C9D—C10D—C11D	177.21 (19)
C6A—C7A—C8A—C9A	174.5 (2)	C9D—C10D—C11D—C12D	−173.6 (2)
C7A—C8A—C9A—C10A	−179.31 (19)	C10D—C11D—C12D—F1D	58.4 (3)
C8A—C9A—C10A—C11A	175.6 (2)	C10D—C11D—C12D—F2D	−58.8 (3)
C9A—C10A—C11A—C12A	−178.6 (2)	C10D—C11D—C12D—C13D	−178.4 (5)
C10A—C11A—C12A—F1A	59.8 (3)	C10D—C11D—C12D—C13Y	177.2 (13)
C10A—C11A—C12A—F2A	−57.2 (3)	F1D—C12D—C13D—F3D	76.0 (7)
C10A—C11A—C12A—C13A	−179.0 (2)	F2D—C12D—C13D—F3D	−170.2 (6)
F1A—C12A—C13A—F3A	59.5 (3)	C11D—C12D—C13D—F3D	−48.4 (8)
F2A—C12A—C13A—F3A	173.12 (19)	C13Y—C12D—C13D—F3D	85 (18)
C11A—C12A—C13A—F3A	−63.2 (3)	F1D—C12D—C13D—F4D	−167.6 (9)
F1A—C12A—C13A—F4A	176.35 (19)	F2D—C12D—C13D—F4D	−53.8 (10)
F2A—C12A—C13A—F4A	−70.0 (2)	C11D—C12D—C13D—F4D	68.1 (11)
C11A—C12A—C13A—F4A	53.6 (3)	F1D—C12D—C13D—C14D	−43.4 (9)
F1A—C12A—C13A—C14A	−62.4 (3)	F2D—C12D—C13D—C14D	70.4 (9)
F2A—C12A—C13A—C14A	51.2 (3)	C11D—C12D—C13D—C14D	−167.8 (6)
C11A—C12A—C13A—C14A	174.9 (2)	F3D—C13D—C14D—F6D	−49.5 (9)
F3A—C13A—C14A—F6A	−70.3 (3)	F4D—C13D—C14D—F6D	−165.4 (10)
F4A—C13A—C14A—F6A	173.39 (19)	C12D—C13D—C14D—F6D	71.1 (9)
C12A—C13A—C14A—F6A	52.0 (3)	F3D—C13D—C14D—F5D	−165.3 (8)
F3A—C13A—C14A—F5A	171.04 (19)	F4D—C13D—C14D—F5D	78.8 (11)
F4A—C13A—C14A—F5A	54.8 (3)	C12D—C13D—C14D—F5D	−44.7 (10)
C12A—C13A—C14A—F5A	−66.6 (3)	F3D—C13D—C14D—C15D	72.4 (11)
F3A—C13A—C14A—C15A	51.2 (3)	F4D—C13D—C14D—C15D	−43.5 (13)
F4A—C13A—C14A—C15A	−65.1 (3)	C12D—C13D—C14D—C15D	−167.0 (8)
C12A—C13A—C14A—C15A	173.6 (2)	F6D—C14D—C15D—F7D	73.0 (10)
F6A—C14A—C15A—F7A	56.4 (3)	F5D—C14D—C15D—F7D	−173.2 (8)
F5A—C14A—C15A—F7A	171.9 (2)	C13D—C14D—C15D—F7D	−50.1 (12)
C13A—C14A—C15A—F7A	−66.8 (3)	F6D—C14D—C15D—F9D	−48.4 (10)
F6A—C14A—C15A—F8A	178.8 (2)	F5D—C14D—C15D—F9D	65.4 (10)
F5A—C14A—C15A—F8A	−65.8 (3)	C13D—C14D—C15D—F9D	−171.5 (8)
C13A—C14A—C15A—F8A	55.5 (3)	F6D—C14D—C15D—F8D	−168.3 (7)
F6A—C14A—C15A—F9A	−61.9 (3)	F5D—C14D—C15D—F8D	−54.5 (10)
F5A—C14A—C15A—F9A	53.6 (3)	C13D—C14D—C15D—F8D	68.6 (11)
C13A—C14A—C15A—F9A	174.9 (2)	F1D—C12D—C13Y—F4D'	179 (2)
O2B—C1B—C2B—C3B	7.9 (3)	F2D—C12D—C13Y—F4D'	−69 (3)
O1B—C1B—C2B—C3B	−172.5 (2)	C11D—C12D—C13Y—F4D'	56 (3)
C1B—C2B—C3B—C4B	−177.22 (19)	F1D—C12D—C13Y—F3D'	62.9 (19)
C2B—C3B—C4B—C5B	−178.02 (19)	F2D—C12D—C13Y—F3D'	174.9 (16)
C3B—C4B—C5B—C6B	−178.05 (19)	C11D—C12D—C13Y—F3D'	−60 (2)
C4B—C5B—C6B—C7B	179.83 (19)	F1D—C12D—C13Y—C14Y	−69 (2)
C5B—C6B—C7B—C8B	178.49 (19)	F2D—C12D—C13Y—C14Y	43 (2)
C6B—C7B—C8B—C9B	178.77 (19)	C11D—C12D—C13Y—C14Y	168.5 (15)
C7B—C8B—C9B—C10B	175.61 (18)	F4D'—C13Y—C14Y—F6D'	177 (3)
C8B—C9B—C10B—C11B	−178.50 (19)	F3D'—C13Y—C14Y—F6D'	−68 (3)
C9B—C10B—C11B—C12B	176.44 (19)	C12D—C13Y—C14Y—F6D'	62 (3)
C10B—C11B—C12B—F2B	−54.9 (3)	F4D'—C13Y—C14Y—F5D'	53 (3)
C10B—C11B—C12B—F1B	61.9 (2)	F3D'—C13Y—C14Y—F5D'	169 (2)
C10B—C11B—C12B—C13B	−176.89 (19)	C12D—C13Y—C14Y—F5D'	−62 (3)
F2B—C12B—C13B—F4B	−56.2 (2)	F4D'—C13Y—C14Y—C15Y	−64 (3)
F1B—C12B—C13B—F4B	−168.52 (17)	F3D'—C13Y—C14Y—C15Y	51 (3)
C11B—C12B—C13B—F4B	67.9 (2)	C12D—C13Y—C14Y—C15Y	−179 (2)
F2B—C12B—C13B—F3B	−172.22 (17)	F6D'—C14Y—C15Y—F9D'	−177 (2)
F1B—C12B—C13B—F3B	75.5 (2)	F5D'—C14Y—C15Y—F9D'	−56 (3)
C11B—C12B—C13B—F3B	−48.1 (3)	C13Y—C14Y—C15Y—F9D'	65 (3)
F2B—C12B—C13B—C14B	66.7 (3)	F6D'—C14Y—C15Y—F8D'	54 (3)
F1B—C12B—C13B—C14B	−45.7 (3)	F5D'—C14Y—C15Y—F8D'	175 (2)
C11B—C12B—C13B—C14B	−169.2 (2)	C13Y—C14Y—C15Y—F8D'	−64 (3)
F4B—C13B—C14B—F5B	77.0 (2)	F6D'—C14Y—C15Y—F7D'	−59 (3)
F3B—C13B—C14B—F5B	−166.90 (17)	F5D'—C14Y—C15Y—F7D'	62 (2)
C12B—C13B—C14B—F5B	−45.5 (3)	C13Y—C14Y—C15Y—F7D'	−177.2 (19)
F4B—C13B—C14B—F6B	−165.44 (17)	O2E—C1E—C2E—C3E	−1.5 (13)
F3B—C13B—C14B—F6B	−49.3 (2)	O1E—C1E—C2E—C3E	−178.8 (7)
C12B—C13B—C14B—F6B	72.0 (2)	C1E—C2E—C3E—C4E	176.5 (7)
F4B—C13B—C14B—C15B	−44.8 (3)	C2E—C3E—C4E—C5E	−177.7 (8)
F3B—C13B—C14B—C15B	71.3 (3)	C3E—C4E—C5E—C6E	176.4 (6)
C12B—C13B—C14B—C15B	−167.4 (2)	C4E—C5E—C6E—C7E	174.0 (8)
F5B—C14B—C15B—F7B	−56.5 (3)	C5E—C6E—C7E—C8E	−178.4 (7)
F6B—C14B—C15B—F7B	−171.57 (19)	C6E—C7E—C8E—C9E	176.1 (8)
C13B—C14B—C15B—F7B	66.5 (3)	C7E—C8E—C9E—C10E	−176.5 (8)
F5B—C14B—C15B—F9B	−178.3 (2)	C8E—C9E—C10E—C11E	176.7 (7)
F6B—C14B—C15B—F9B	66.6 (3)	C9E—C10E—C11E—C12E	−178.5 (8)
C13B—C14B—C15B—F9B	−55.3 (3)	C10E—C11E—C12E—F1E	55.5 (9)
F5B—C14B—C15B—F8B	62.6 (3)	C10E—C11E—C12E—F2E	−61.1 (9)
F6B—C14B—C15B—F8B	−52.5 (3)	C10E—C11E—C12E—C13E	177.5 (6)
C13B—C14B—C15B—F8B	−174.5 (2)	F1E—C12E—C13E—F3E	173.4 (5)
O2C—C1C—C2C—C3C	8.3 (3)	F2E—C12E—C13E—F3E	−73.6 (6)
O1C—C1C—C2C—C3C	−172.8 (2)	C11E—C12E—C13E—F3E	49.5 (9)
C1C—C2C—C3C—C4C	−174.79 (19)	F1E—C12E—C13E—F4E	56.0 (6)
C2C—C3C—C4C—C5C	178.52 (19)	F2E—C12E—C13E—F4E	169.0 (5)
C3C—C4C—C5C—C6C	−178.47 (19)	C11E—C12E—C13E—F4E	−67.8 (8)
C4C—C5C—C6C—C7C	−176.4 (2)	F1E—C12E—C13E—C14E	−65.5 (7)
C5C—C6C—C7C—C8C	178.1 (2)	F2E—C12E—C13E—C14E	47.5 (7)
C6C—C7C—C8C—C9C	−176.5 (2)	C11E—C12E—C13E—C14E	170.6 (7)
C7C—C8C—C9C—C10C	175.8 (2)	F3E—C13E—C14E—F6E	170.2 (4)
C8C—C9C—C10C—C11C	−177.8 (2)	F4E—C13E—C14E—F6E	−73.0 (6)
C9C—C10C—C11C—C12C	176.5 (2)	C12E—C13E—C14E—F6E	48.7 (8)
C10C—C11C—C12C—F1C	−58.3 (3)	F3E—C13E—C14E—F5E	52.5 (6)
C10C—C11C—C12C—F2C	58.6 (3)	F4E—C13E—C14E—F5E	169.3 (4)
C10C—C11C—C12C—C13C	−179.6 (2)	C12E—C13E—C14E—F5E	−69.0 (7)
F1C—C12C—C13C—F3C	−70.9 (3)	F3E—C13E—C14E—C15E	−66.6 (7)
F2C—C12C—C13C—F3C	176.39 (19)	F4E—C13E—C14E—C15E	50.2 (7)
C11C—C12C—C13C—F3C	52.5 (3)	C12E—C13E—C14E—C15E	171.9 (6)
F1C—C12C—C13C—F4C	173.2 (2)	F6E—C14E—C15E—F9E	179.7 (5)
F2C—C12C—C13C—F4C	60.5 (3)	F5E—C14E—C15E—F9E	−63.6 (7)
C11C—C12C—C13C—F4C	−63.3 (3)	C13E—C14E—C15E—F9E	56.2 (8)
F1C—C12C—C13C—C14C	38.1 (4)	F6E—C14E—C15E—F8E	56.1 (7)
F2C—C12C—C13C—C14C	−74.6 (4)	F5E—C14E—C15E—F8E	172.8 (5)
C11C—C12C—C13C—C14C	161.6 (4)	C13E—C14E—C15E—F8E	−67.4 (7)
F1C—C12C—C13C—C14X	63.4 (4)	F6E—C14E—C15E—F7E	−61.2 (7)
F2C—C12C—C13C—C14X	−49.3 (4)	F5E—C14E—C15E—F7E	55.5 (7)
C11C—C12C—C13C—C14X	−173.1 (4)	C13E—C14E—C15E—F7E	175.3 (6)
F3C—C13C—C14C—F5C	161.2 (5)	O2F—C1F—C2F—C3F	1.8 (18)
F4C—C13C—C14C—F5C	−85.8 (6)	O1F—C1F—C2F—C3F	−177.9 (12)
C12C—C13C—C14C—F5C	45.9 (7)	C1F—C2F—C3F—C4F	−173.7 (8)
C14X—C13C—C14C—F5C	−39.8 (12)	C2F—C3F—C4F—C5F	−174.3 (8)
F3C—C13C—C14C—F6C	46.3 (5)	C3F—C4F—C5F—C6F	178.4 (7)
F4C—C13C—C14C—F6C	159.3 (4)	C4F—C5F—C6F—C7F	−176.6 (8)
C12C—C13C—C14C—F6C	−69.0 (6)	C5F—C6F—C7F—C8F	176.9 (8)
C14X—C13C—C14C—F6C	−154.8 (19)	C6F—C7F—C8F—C9F	−174.7 (7)
F3C—C13C—C14C—C15C	−77.7 (6)	C7F—C8F—C9F—C10F	176.4 (7)
F4C—C13C—C14C—C15C	35.2 (7)	C8F—C9F—C10F—C11F	−176.4 (6)
C12C—C13C—C14C—C15C	167.0 (6)	C9F—C10F—C11F—C12F	−179.5 (6)
C14X—C13C—C14C—C15C	81.2 (17)	C10F—C11F—C12F—F2F	59.8 (7)
F5C—C14C—C15C—F7C	175.5 (8)	C10F—C11F—C12F—F1F	−56.7 (7)
F6C—C14C—C15C—F7C	−69.4 (10)	C10F—C11F—C12F—C13F	−177.7 (5)
C13C—C14C—C15C—F7C	57.3 (10)	F2F—C12F—C13F—F3F	−171.5 (5)
F5C—C14C—C15C—F9C	−63.9 (9)	F1F—C12F—C13F—F3F	−58.1 (6)
F6C—C14C—C15C—F9C	51.2 (9)	C11F—C12F—C13F—F3F	64.5 (7)
C13C—C14C—C15C—F9C	177.8 (6)	F2F—C12F—C13F—F4F	71.6 (6)
F5C—C14C—C15C—F8C	54.5 (12)	F1F—C12F—C13F—F4F	−175.0 (5)
F6C—C14C—C15C—F8C	169.6 (8)	C11F—C12F—C13F—F4F	−52.4 (7)
C13C—C14C—C15C—F8C	−63.8 (11)	F2F—C12F—C13F—C14F	−49.6 (7)
F3C—C13C—C14X—F5C'	61.6 (8)	F1F—C12F—C13F—C14F	63.8 (7)
F4C—C13C—C14X—F5C'	176.8 (6)	C11F—C12F—C13F—C14F	−173.6 (6)
C12C—C13C—C14X—F5C'	−68.1 (7)	F3F—C13F—C14F—F5F	65.1 (6)
F3C—C13C—C14X—F6C'	−177.6 (5)	F4F—C13F—C14F—F5F	−179.1 (5)
F4C—C13C—C14X—F6C'	−62.3 (7)	C12F—C13F—C14F—F5F	−57.4 (8)
C12C—C13C—C14X—F6C'	52.7 (7)	F3F—C13F—C14F—F6F	−177.9 (5)
F3C—C13C—C14X—C15X	−54.0 (7)	F4F—C13F—C14F—F6F	−62.2 (6)
F4C—C13C—C14X—C15X	61.3 (6)	C12F—C13F—C14F—F6F	59.5 (7)
C12C—C13C—C14X—C15X	176.3 (5)	F3F—C13F—C14F—C15F	−56.2 (7)
F5C'—C14X—C15X—F9C'	−69.7 (13)	F4F—C13F—C14F—C15F	59.6 (7)
F6C'—C14X—C15X—F9C'	175.5 (9)	C12F—C13F—C14F—C15F	−178.7 (5)
C13C—C14X—C15X—F9C'	46.1 (12)	F5F—C14F—C15F—F7F	−61.4 (8)
F5C'—C14X—C15X—F8C'	170.2 (9)	F6F—C14F—C15F—F7F	−176.7 (6)
F6C'—C14X—C15X—F8C'	55.3 (11)	C13F—C14F—C15F—F7F	60.2 (8)
C13C—C14X—C15X—F8C'	−74.0 (10)	F5F—C14F—C15F—F8F	177.7 (6)
F5C'—C14X—C15X—F7C'	53.2 (10)	F6F—C14F—C15F—F8F	62.4 (8)
F6C'—C14X—C15X—F7C'	−61.6 (9)	C13F—C14F—C15F—F8F	−60.7 (8)
C13C—C14X—C15X—F7C'	169.1 (6)	F5F—C14F—C15F—F9F	60.5 (8)
O2D—C1D—C2D—C3D	−5.4 (3)	F6F—C14F—C15F—F9F	−54.9 (8)
O1D—C1D—C2D—C3D	175.8 (2)	C13F—C14F—C15F—F9F	−178.0 (6)
C1D—C2D—C3D—C4D	172.85 (19)

Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x−3, −y+2, −z.