Information card for entry 4116177

Structure parameters

• Chemical name: (S)-1-(2-methyl-5-phenyl-3-thienyl)-2-[2-(3-methyl-1-penten-1-yl) -5-phenyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene
• Formula: C32 H26 F6 S2
• Calculated formula: C32 H26 F6 S2
• Title of publication: Reversible Diastereoselective Photocyclization of a Diarylethene in a Single-Crystalline Phase
• Authors of publication: Tetsuhiro Kodani; Kenji Matsuda; Taro Yamada; Seiya Kobatake; Masahiro Irie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 9631 - 9637
• a: 9.3904 ± 0.0016 Å
• b: 11.8641 ± 0.0019 Å
• c: 25.019 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2787.3 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No