Information card for entry 4111339

Structure parameters

• Chemical name: 1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene (32%) and 1,2-bis(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (53%) and 1,2-bis(5-methyl-2-phenyl-4-oxazolyl)perfluorocyclopentene (15%)
• Formula: C25.63 H16.63 F6 N1.37 O0.3 S1.7
• Calculated formula: C25.624 H16.624 F6 N1.376 O0.426 S1.574
• 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: 7.288 ± 0.003 Å
• b: 25.792 ± 0.01 Å
• c: 12.586 ± 0.005 Å
• α: 90°
• β: 102.519 ± 0.006°
• γ: 90°
• Cell volume: 2309.6 ± 1.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• 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: 0.1397
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.306
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No