Information card for entry 4114132

Structure parameters

• Chemical name: A mixture of 1,2-bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene and 1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene
• Formula: C17 H14 F6 S2
• Calculated formula: C17 H14 F6 S2
• Title of publication: Multicolor Photochromism of Two- and Three-Component Diarylethene Crystals
• Authors of publication: Masakazu Morimoto; Seiya Kobatake; Masahiro Irie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 11080 - 11087
• a: 12.096 ± 0.01 Å
• b: 17.406 ± 0.015 Å
• c: 16.336 ± 0.014 Å
• α: 90°
• β: 92.669 ± 0.015°
• γ: 90°
• Cell volume: 3436 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No