Information card for entry 4116265

Structure parameters

• Chemical name: 1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene
• Formula: C29 H22 F6 S2
• Calculated formula: C29 H22 F6 S2
• Title of publication: Photochromism of 1,2-Bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase. Conrotatory Thermal Cycloreversion of the Closed-Ring Isomer
• Authors of publication: Seiya Kobatake; Katsunori Shibata; Kingo Uchida; Masahiro Irie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 12135 - 12141
• a: 22.277 ± 0.003 Å
• b: 10.9507 ± 0.0016 Å
• c: 10.5694 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2578.4 ± 0.6 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No