Information card for entry 4116321

Structure parameters

• Chemical name: 3-(2-(2,5-dimethyl(3-thienyl))-3,3,4,4,5,6-hexafluorocyclopent-1-enyl)-2,5-d imethylthiophene
• Formula: C17 H14 F6 S2
• Calculated formula: C17 H14 F6 S2
• Title of publication: Photochromism of 1,2-Bis(2,5-dimethyl-3-thienyl)perfluoro- cyclopentene in a Single Crystalline Phase
• Authors of publication: Seiya Kobatake; Taro Yamada; Kingo Uchida; Nobuo Kato; Masahiro Irie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 2380 - 2386
• a: 8.833 ± 0.002 Å
• b: 11.178 ± 0.002 Å
• c: 11.431 ± 0.002 Å
• α: 100.588 ± 0.008°
• β: 112.708 ± 0.006°
• γ: 113.218 ± 0.012°
• Cell volume: 878.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No