Information card for entry 4116014

Structure parameters

• Common name: 1,2-bis(2-methyl-5-tolyl-3-thienyl)perfluorocyclopentene
• Chemical name: 3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-(4-methylphenyl)(3-thienyl))cyclopent- 1-enyl)-2-methyl-5-(4-methylphenyl)thiophene
• Formula: C29 H22 F6 S2
• Calculated formula: C29 H22 F6 S2
• Title of publication: Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase
• Authors of publication: Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 4871 - 4876
• a: 25.978 ± 0.004 Å
• b: 9.2508 ± 0.0015 Å
• c: 10.7141 ± 0.0018 Å
• α: 90°
• β: 102.708 ± 0.003°
• γ: 90°
• Cell volume: 2511.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No