Information card for entry 4111340

Structure parameters

• Chemical name: Photoirradiated mixed crystal (1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene (20%) and 1,2-bis(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (80%))
• Formula: C25.4 H16.4 F6 N1.6 S2
• Calculated formula: C25.46 H16.46 F6 N1.54 S2
• Title of publication: Photochromism of Mixed Crystals Containing Bisthienyl-, Bisthiazolyl-, and Bisoxazolylethene Derivatives
• Authors of publication: Shizuka Takami; Lumi Kuroki; Masahiro Irie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7319 - 7326
• a: 7.362 ± 0.0012 Å
• b: 26.25 ± 0.004 Å
• c: 12.701 ± 0.002 Å
• α: 90°
• β: 103.271 ± 0.002°
• γ: 90°
• Cell volume: 2389 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1906
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No