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The title compound, C22H15ClF6S2, is a new asymmetric photochromic dithienylethene with an ortho-chloro­phenyl substituent. The mol­ecule adopts a photoactive anti­parallel conformation, the distance between the two reactive C atoms being 3.582 (4) Å. The dihedral angles between the central cyclo­pentene ring and the two thio­phene rings are 41.0 (5) and 52.1 (5)°, and that between one thio­phene ring and the attached benzene ring is 39.9 (5)°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807003285/kj2041sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807003285/kj2041Isup2.hkl
Contains datablock I

CCDC reference: 615590

Key indicators

  • Single-crystal X-ray study
  • T = 294 K
  • Mean [sigma](C-C) = 0.002 Å
  • Disorder in main residue
  • R factor = 0.039
  • wR factor = 0.105
  • Data-to-parameter ratio = 12.4

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT301_ALERT_3_C Main Residue Disorder ......................... 22.00 Perc. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C7 - C11 ... 1.35 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact C1 .. F3' .. 2.96 Ang. PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 3.46 Deg. C8 -C7 -C8' 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 13.84 Deg. C10 -C11 -C10' 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

1-[5-(2-Chlorophenyl)-2-methyl-3-thienyl]-2-(2,5-dimethyl-3-thienyl)- 3,3,4,4,5,5-hexafluorocyclopent-1-ene top
Crystal data top
C22H15ClF6S2Dx = 1.499 Mg m3
Mr = 492.91Melting point: 354 K
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 6.9539 (12) ÅCell parameters from 3439 reflections
b = 21.661 (4) Åθ = 2.8–24.9°
c = 14.543 (2) ŵ = 0.42 mm1
β = 94.278 (3)°T = 294 K
V = 2184.5 (6) Å3Block, colourless
Z = 40.35 × 0.27 × 0.21 mm
F(000) = 1000
Data collection top
Bruker SMART APEX2 CCD area-detector
diffractometer
3841 independent reflections
Radiation source: fine-focus sealed tube2519 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.034
φ and ω scansθmax = 25.0°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 87
Tmin = 0.866, Tmax = 0.916k = 1825
10959 measured reflectionsl = 1717
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.039Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.105H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0446P)2 + 0.7775P]
where P = (Fo2 + 2Fc2)/3
3841 reflections(Δ/σ)max = 0.005
311 parametersΔρmax = 0.23 e Å3
64 restraintsΔρmin = 0.21 e Å3
Special details top

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 (Å2) top
xyzUiso*/UeqOcc. (<1)
C80.1151 (2)0.83335 (7)0.91066 (10)0.0552 (4)0.9036 (7)
F10.24123 (16)0.79949 (4)0.96606 (6)0.0771 (3)0.9036 (7)
F20.04565 (14)0.79788 (5)0.90063 (7)0.0831 (3)0.9036 (7)
C90.0726 (2)0.89515 (7)0.95687 (10)0.0602 (5)0.9036 (7)
F30.11533 (17)0.89499 (5)1.04803 (6)0.0842 (4)0.9036 (7)
F40.11775 (15)0.90753 (5)0.94060 (8)0.0937 (4)0.9036 (7)
C100.1880 (2)0.94173 (7)0.90493 (10)0.0585 (5)0.9036 (7)
F50.35556 (16)0.95452 (5)0.95492 (6)0.0913 (4)0.9036 (7)
F60.09423 (18)0.99596 (4)0.89349 (7)0.0921 (4)0.9036 (7)
C8'0.1212 (6)0.8297 (2)0.9104 (3)0.0552 (4)0.0964 (7)
F1'0.2813 (9)0.8034 (4)0.9535 (6)0.0771 (3)0.0964 (7)
F2'0.0503 (8)0.7993 (4)0.9073 (7)0.0831 (3)0.0964 (7)
C9'0.0962 (7)0.8911 (2)0.9611 (3)0.0602 (5)0.0964 (7)
F3'0.2315 (10)0.8966 (4)1.0329 (4)0.0842 (4)0.0964 (7)
F4'0.0714 (8)0.8986 (5)1.0023 (6)0.0937 (4)0.0964 (7)
C10'0.1390 (7)0.9430 (2)0.8948 (3)0.0585 (5)0.0964 (7)
F5'0.2530 (11)0.9888 (3)0.9325 (6)0.0913 (4)0.0964 (7)
F6'0.0294 (9)0.9738 (4)0.8753 (6)0.0921 (4)0.0964 (7)
S10.40682 (6)0.734694 (18)0.64092 (3)0.06876 (13)
S20.30771 (5)0.996484 (16)0.57918 (2)0.04925 (10)
Cl10.39033 (6)1.139927 (18)0.53925 (3)0.07499 (13)
C10.0904 (3)0.65315 (7)0.62802 (13)0.0935 (7)
H1A0.03480.64800.65060.140*
H1B0.16940.61810.64530.140*
H1C0.07760.65670.56200.140*
C20.1831 (2)0.71093 (6)0.66896 (10)0.0612 (5)
C30.1131 (2)0.75016 (6)0.73036 (9)0.0520 (4)
H30.00590.74480.75450.062*
C40.23860 (19)0.80078 (6)0.75487 (9)0.0432 (4)
C50.40745 (19)0.79790 (6)0.71212 (9)0.0507 (4)
C60.5825 (2)0.83842 (8)0.72273 (12)0.0739 (5)
H6A0.57020.87120.67830.111*
H6B0.69520.81440.71290.111*
H6C0.59420.85550.78380.111*
C70.19373 (18)0.84961 (6)0.82046 (8)0.0427 (4)
C110.22222 (18)0.91096 (6)0.81520 (8)0.0440 (4)
C120.28329 (18)0.94848 (5)0.73772 (8)0.0422 (4)
C130.20118 (18)0.94493 (6)0.64967 (9)0.0437 (4)
C140.0348 (2)0.90649 (7)0.61052 (10)0.0610 (5)
H14A0.08040.86630.59500.091*
H14B0.02350.92610.55610.091*
H14C0.05890.90260.65540.091*
C150.43252 (19)0.99374 (6)0.74792 (9)0.0455 (4)
H150.50091.00210.80390.055*
C160.46566 (18)1.02350 (6)0.66816 (9)0.0443 (4)
C170.62270 (17)1.06838 (6)0.65590 (9)0.0435 (4)
C180.8019 (2)1.05817 (7)0.70357 (10)0.0606 (5)
H180.81961.02280.73950.073*
C190.9530 (2)1.09885 (7)0.69890 (12)0.0715 (5)
H191.07051.09080.73150.086*
C200.9303 (2)1.15120 (7)0.64615 (11)0.0677 (5)
H201.03181.17890.64350.081*
C210.7578 (2)1.16253 (6)0.59739 (10)0.0583 (4)
H210.74271.19780.56110.070*
C220.60573 (19)1.12160 (6)0.60199 (9)0.0492 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C80.0705 (9)0.0449 (8)0.0510 (8)0.0049 (7)0.0103 (7)0.0036 (7)
F10.1159 (7)0.0618 (5)0.0543 (5)0.0168 (5)0.0112 (5)0.0147 (4)
F20.0975 (6)0.0823 (6)0.0740 (5)0.0374 (5)0.0374 (5)0.0084 (5)
C90.0776 (10)0.0583 (9)0.0466 (8)0.0051 (7)0.0179 (7)0.0005 (7)
F30.1402 (9)0.0723 (6)0.0435 (5)0.0006 (6)0.0282 (5)0.0020 (4)
F40.0828 (6)0.0908 (7)0.1107 (8)0.0174 (6)0.0285 (6)0.0065 (6)
C100.0840 (10)0.0414 (8)0.0499 (8)0.0000 (7)0.0040 (8)0.0030 (7)
F50.1177 (8)0.0980 (7)0.0564 (5)0.0432 (6)0.0058 (5)0.0102 (5)
F60.1624 (9)0.0460 (5)0.0719 (6)0.0264 (6)0.0363 (6)0.0014 (5)
C8'0.0705 (9)0.0449 (8)0.0510 (8)0.0049 (7)0.0103 (7)0.0036 (7)
F1'0.1159 (7)0.0618 (5)0.0543 (5)0.0168 (5)0.0112 (5)0.0147 (4)
F2'0.0975 (6)0.0823 (6)0.0740 (5)0.0374 (5)0.0374 (5)0.0084 (5)
C9'0.0776 (10)0.0583 (9)0.0466 (8)0.0051 (7)0.0179 (7)0.0005 (7)
F3'0.1402 (9)0.0723 (6)0.0435 (5)0.0006 (6)0.0282 (5)0.0020 (4)
F4'0.0828 (6)0.0908 (7)0.1107 (8)0.0174 (6)0.0285 (6)0.0065 (6)
C10'0.0840 (10)0.0414 (8)0.0499 (8)0.0000 (7)0.0040 (8)0.0030 (7)
F5'0.1177 (8)0.0980 (7)0.0564 (5)0.0432 (6)0.0058 (5)0.0102 (5)
F6'0.1624 (9)0.0460 (5)0.0719 (6)0.0264 (6)0.0363 (6)0.0014 (5)
S10.0931 (3)0.0541 (2)0.0618 (2)0.0170 (2)0.0238 (2)0.00288 (19)
S20.05292 (18)0.04933 (19)0.04506 (18)0.01053 (16)0.00071 (15)0.00518 (15)
Cl10.0606 (2)0.0590 (2)0.1037 (3)0.00362 (18)0.0054 (2)0.0286 (2)
C10.1250 (15)0.0552 (10)0.0965 (13)0.0068 (10)0.0167 (12)0.0195 (9)
C20.0852 (10)0.0436 (8)0.0539 (9)0.0037 (7)0.0013 (8)0.0012 (7)
C30.0592 (8)0.0422 (7)0.0548 (8)0.0040 (6)0.0067 (7)0.0009 (6)
C40.0509 (7)0.0369 (7)0.0424 (7)0.0016 (6)0.0070 (6)0.0054 (6)
C50.0536 (8)0.0447 (7)0.0547 (8)0.0050 (6)0.0101 (6)0.0039 (7)
C60.0512 (8)0.0708 (10)0.1020 (12)0.0038 (8)0.0209 (8)0.0028 (9)
C70.0443 (7)0.0391 (7)0.0449 (7)0.0024 (6)0.0047 (6)0.0016 (6)
C110.0481 (7)0.0408 (7)0.0430 (7)0.0024 (6)0.0026 (6)0.0017 (6)
C120.0492 (7)0.0330 (6)0.0445 (7)0.0018 (6)0.0032 (6)0.0005 (6)
C130.0453 (7)0.0387 (7)0.0473 (7)0.0017 (6)0.0050 (6)0.0011 (6)
C140.0620 (9)0.0622 (9)0.0571 (9)0.0160 (7)0.0062 (7)0.0021 (7)
C150.0537 (7)0.0375 (7)0.0445 (7)0.0025 (6)0.0019 (6)0.0009 (6)
C160.0425 (7)0.0375 (7)0.0528 (8)0.0014 (6)0.0023 (6)0.0030 (6)
C170.0450 (7)0.0380 (7)0.0481 (7)0.0018 (6)0.0077 (6)0.0058 (6)
C180.0535 (8)0.0550 (9)0.0722 (9)0.0054 (7)0.0022 (7)0.0013 (8)
C190.0497 (8)0.0694 (10)0.0937 (12)0.0079 (8)0.0050 (8)0.0075 (9)
C200.0548 (8)0.0623 (9)0.0879 (10)0.0198 (7)0.0187 (8)0.0159 (8)
C210.0623 (8)0.0423 (8)0.0727 (9)0.0078 (7)0.0211 (7)0.0045 (7)
C220.0474 (7)0.0440 (7)0.0572 (8)0.0001 (6)0.0102 (6)0.0033 (6)
Geometric parameters (Å, º) top
C8—F21.3555 (18)C3—C41.4299 (18)
C8—F11.3603 (17)C3—H30.9300
C8—C71.5002 (19)C4—C51.3703 (19)
C8—C91.537 (2)C4—C71.4733 (17)
C9—F31.3369 (17)C5—C61.499 (2)
C9—F41.3537 (19)C6—H6A0.9600
C9—C101.524 (2)C6—H6B0.9600
C10—F61.3479 (17)C6—H6C0.9600
C10—F51.3549 (18)C7—C111.3467 (18)
C10—C111.5000 (19)C11—C121.4770 (18)
C8'—F2'1.360 (7)C12—C131.3647 (17)
C8'—F1'1.360 (7)C12—C151.4272 (17)
C8'—C71.501 (5)C13—C141.5029 (19)
C8'—C9'1.537 (6)C14—H14A0.9600
C9'—F3'1.358 (7)C14—H14B0.9600
C9'—F4'1.359 (7)C14—H14C0.9600
C9'—C10'1.524 (6)C15—C161.3616 (18)
C10'—F5'1.360 (7)C15—H150.9300
C10'—F6'1.360 (7)C16—C171.4827 (18)
C10'—C111.502 (5)C17—C221.3941 (18)
S1—C21.7162 (17)C17—C181.3979 (18)
S1—C51.7164 (14)C18—C191.377 (2)
S2—C131.7204 (13)C18—H180.9300
S2—C161.7353 (13)C19—C201.371 (2)
Cl1—C221.7406 (14)C19—H190.9300
C1—C21.510 (2)C20—C211.369 (2)
C1—H1A0.9600C20—H200.9300
C1—H1B0.9600C21—C221.3854 (19)
C1—H1C0.9600C21—H210.9300
C2—C31.350 (2)
F2—C8—F1104.37 (11)C6—C5—S1119.64 (11)
F2—C8—C7112.97 (11)C5—C6—H6A109.5
F1—C8—C7112.57 (12)C5—C6—H6B109.5
F2—C8—C9110.88 (13)H6A—C6—H6B109.5
F1—C8—C9110.34 (12)C5—C6—H6C109.5
C7—C8—C9105.82 (11)H6A—C6—H6C109.5
F3—C9—F4108.43 (13)H6B—C6—H6C109.5
F3—C9—C10113.99 (13)C11—C7—C4129.24 (12)
F4—C9—C10109.06 (12)C11—C7—C8110.25 (11)
F3—C9—C8113.30 (12)C4—C7—C8120.41 (11)
F4—C9—C8108.30 (12)C11—C7—C8'113.2 (2)
C10—C9—C8103.54 (12)C4—C7—C8'117.3 (2)
F6—C10—F5106.07 (12)C8—C7—C8'3.46 (19)
F6—C10—C11112.73 (12)C7—C11—C12129.65 (12)
F5—C10—C11111.84 (13)C7—C11—C10110.82 (11)
F6—C10—C9111.71 (13)C12—C11—C10119.50 (11)
F5—C10—C9109.46 (12)C7—C11—C10'110.2 (2)
C11—C10—C9105.10 (11)C12—C11—C10'118.9 (2)
F2'—C8'—F1'119.9 (6)C10—C11—C10'13.84 (19)
F2'—C8'—C7117.5 (5)C13—C12—C15112.72 (11)
F1'—C8'—C7101.8 (5)C13—C12—C11124.11 (11)
F2'—C8'—C9'107.7 (5)C15—C12—C11123.15 (11)
F1'—C8'—C9'105.1 (5)C12—C13—C14130.02 (12)
C7—C8'—C9'103.1 (3)C12—C13—S2110.73 (9)
F3'—C9'—F4'102.6 (6)C14—C13—S2119.17 (10)
F3'—C9'—C10'105.3 (5)C13—C14—H14A109.5
F4'—C9'—C10'113.9 (6)C13—C14—H14B109.5
F3'—C9'—C8'110.4 (5)H14A—C14—H14B109.5
F4'—C9'—C8'116.5 (6)C13—C14—H14C109.5
C10'—C9'—C8'107.5 (4)H14A—C14—H14C109.5
F5'—C10'—F6'101.1 (6)H14B—C14—H14C109.5
F5'—C10'—C11113.6 (5)C16—C15—C12113.87 (11)
F6'—C10'—C11116.2 (5)C16—C15—H15123.1
F5'—C10'—C9'114.8 (5)C12—C15—H15123.1
F6'—C10'—C9'106.7 (5)C15—C16—C17125.86 (11)
C11—C10'—C9'104.6 (3)C15—C16—S2109.73 (9)
C2—S1—C593.29 (7)C17—C16—S2124.22 (10)
C13—S2—C1692.94 (6)C22—C17—C18116.40 (12)
C2—C1—H1A109.5C22—C17—C16125.28 (11)
C2—C1—H1B109.5C18—C17—C16118.29 (11)
H1A—C1—H1B109.5C19—C18—C17121.98 (14)
C2—C1—H1C109.5C19—C18—H18119.0
H1A—C1—H1C109.5C17—C18—H18119.0
H1B—C1—H1C109.5C20—C19—C18120.02 (14)
C3—C2—C1128.17 (15)C20—C19—H19120.0
C3—C2—S1110.29 (11)C18—C19—H19120.0
C1—C2—S1121.54 (12)C21—C20—C19119.85 (14)
C2—C3—C4113.81 (13)C21—C20—H20120.1
C2—C3—H3123.1C19—C20—H20120.1
C4—C3—H3123.1C20—C21—C22120.16 (13)
C5—C4—C3112.33 (12)C20—C21—H21119.9
C5—C4—C7123.81 (12)C22—C21—H21119.9
C3—C4—C7123.85 (12)C21—C22—C17121.57 (12)
C4—C5—C6130.04 (13)C21—C22—Cl1117.30 (10)
C4—C5—S1110.26 (10)C17—C22—Cl1121.12 (10)
F2—C8—C9—F395.68 (15)F2'—C8'—C7—C463.4 (5)
F1—C8—C9—F319.45 (18)F1'—C8'—C7—C469.7 (5)
C7—C8—C9—F3141.48 (13)C9'—C8'—C7—C4178.4 (2)
F2—C8—C9—F424.64 (16)F2'—C8'—C7—C890 (3)
F1—C8—C9—F4139.77 (13)F1'—C8'—C7—C8137 (3)
C7—C8—C9—F498.20 (13)C9'—C8'—C7—C828 (3)
F2—C8—C9—C10140.33 (12)C4—C7—C11—C128.7 (2)
F1—C8—C9—C10104.54 (13)C8—C7—C11—C12175.01 (13)
C7—C8—C9—C1017.49 (15)C8'—C7—C11—C12176.9 (2)
F3—C9—C10—F692.99 (15)C4—C7—C11—C10169.76 (13)
F4—C9—C10—F628.34 (16)C8—C7—C11—C106.54 (15)
C8—C9—C10—F6143.48 (12)C8'—C7—C11—C104.6 (2)
F3—C9—C10—F524.19 (18)C4—C7—C11—C10'175.5 (2)
F4—C9—C10—F5145.52 (12)C8—C7—C11—C10'8.2 (2)
C8—C9—C10—F599.34 (13)C8'—C7—C11—C10'10.1 (3)
F3—C9—C10—C11144.46 (12)F6—C10—C11—C7139.73 (13)
F4—C9—C10—C1194.21 (14)F5—C10—C11—C7100.85 (14)
C8—C9—C10—C1120.92 (15)C9—C10—C11—C717.83 (15)
F2'—C8'—C9'—F3'125.5 (7)F6—C10—C11—C1241.65 (18)
F1'—C8'—C9'—F3'3.4 (7)F5—C10—C11—C1277.78 (15)
C7—C8'—C9'—F3'109.7 (5)C9—C10—C11—C12163.54 (12)
F2'—C8'—C9'—F4'9.0 (8)F6—C10—C11—C10'49.8 (8)
F1'—C8'—C9'—F4'119.9 (7)F5—C10—C11—C10'169.3 (8)
C7—C8'—C9'—F4'133.8 (5)C9—C10—C11—C10'72.1 (8)
F2'—C8'—C9'—C10'120.2 (6)F5'—C10'—C11—C7138.5 (4)
F1'—C8'—C9'—C10'111.0 (5)F6'—C10'—C11—C7104.9 (5)
C7—C8'—C9'—C10'4.7 (4)C9'—C10'—C11—C712.5 (4)
F3'—C9'—C10'—F5'17.6 (7)F5'—C10'—C11—C1253.1 (5)
F4'—C9'—C10'—F5'94.0 (7)F6'—C10'—C11—C1263.5 (5)
C8'—C9'—C10'—F5'135.3 (5)C9'—C10'—C11—C12179.1 (2)
F3'—C9'—C10'—F6'128.7 (6)F5'—C10'—C11—C1043.1 (7)
F4'—C9'—C10'—F6'17.1 (7)F6'—C10'—C11—C10159.8 (11)
C8'—C9'—C10'—F6'113.6 (5)C9'—C10'—C11—C1082.9 (8)
F3'—C9'—C10'—C11107.6 (5)C7—C11—C12—C1349.6 (2)
F4'—C9'—C10'—C11140.7 (5)C10—C11—C12—C13132.07 (14)
C8'—C9'—C10'—C1110.1 (4)C10'—C11—C12—C13116.2 (2)
C5—S1—C2—C30.05 (11)C7—C11—C12—C15132.06 (15)
C5—S1—C2—C1179.29 (13)C10—C11—C12—C1546.27 (18)
C1—C2—C3—C4179.92 (14)C10'—C11—C12—C1562.1 (3)
S1—C2—C3—C40.81 (15)C15—C12—C13—C14176.41 (13)
C2—C3—C4—C51.53 (17)C11—C12—C13—C142.1 (2)
C2—C3—C4—C7179.95 (12)C15—C12—C13—S20.48 (14)
C3—C4—C5—C6175.44 (14)C11—C12—C13—S2178.97 (10)
C7—C4—C5—C63.1 (2)C16—S2—C13—C120.12 (10)
C3—C4—C5—S11.49 (14)C16—S2—C13—C14177.39 (11)
C7—C4—C5—S1179.98 (10)C13—C12—C15—C161.06 (16)
C2—S1—C5—C40.90 (11)C11—C12—C15—C16179.56 (12)
C2—S1—C5—C6176.40 (12)C12—C15—C16—C17174.06 (12)
C5—C4—C7—C1143.4 (2)C12—C15—C16—S21.11 (14)
C3—C4—C7—C11138.24 (14)C13—S2—C16—C150.71 (10)
C5—C4—C7—C8132.56 (14)C13—S2—C16—C17174.56 (11)
C3—C4—C7—C845.79 (18)C15—C16—C17—C22141.76 (14)
C5—C4—C7—C8'130.8 (2)S2—C16—C17—C2243.74 (18)
C3—C4—C7—C8'47.6 (2)C15—C16—C17—C1836.48 (19)
F2—C8—C7—C11128.84 (13)S2—C16—C17—C18138.02 (12)
F1—C8—C7—C11113.25 (13)C22—C17—C18—C191.0 (2)
C9—C8—C7—C117.34 (15)C16—C17—C18—C19177.39 (14)
F2—C8—C7—C454.48 (17)C17—C18—C19—C200.1 (2)
F1—C8—C7—C463.43 (16)C18—C19—C20—C210.7 (2)
C9—C8—C7—C4175.98 (12)C19—C20—C21—C220.7 (2)
F2—C8—C7—C8'82 (3)C20—C21—C22—C170.3 (2)
F1—C8—C7—C8'36 (3)C20—C21—C22—Cl1179.11 (12)
C9—C8—C7—C8'157 (3)C18—C17—C22—C211.1 (2)
F2'—C8'—C7—C11121.5 (5)C16—C17—C22—C21177.21 (13)
F1'—C8'—C7—C11105.4 (4)C18—C17—C22—Cl1179.87 (11)
C9'—C8'—C7—C113.3 (3)C16—C17—C22—Cl11.61 (19)
 

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