Information card for entry 8106536

Structure parameters

• Formula: C27 H16 Cl2 F6 S2
• Calculated formula: C27 H16 Cl2 F6 S2
• Title of publication: Structure and photochromism of 1,2-bis[2-methyl-5-(2-chlorophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C27H16Cl2F6S2
• Authors of publication: Wang, Jingcheng; Liu, Gang; Fan, Congbin; Pu, Shouzhi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 359 - 361
• a: 8.3612 ± 0.0005 Å
• b: 11.8991 ± 0.0007 Å
• c: 13.3979 ± 0.0007 Å
• α: 94.667 ± 0.003°
• β: 99.927 ± 0.003°
• γ: 105.882 ± 0.003°
• Cell volume: 1251.21 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No