Information card for entry 4115937

Structure parameters

• Chemical name: 8,8,9,9,10,10-hexafluoro-trans-1,2,4,14-tetramethyl-3,15-dithiatetracyclo[10 .3. pentadeca-4,6(7),11(12),13-tetraene 3-(2-(2,5-dimethyl(3-thienyl))-3,3,4,4,5,5-hexafluorocyclopent-1-enyl)-2,5-d imethylthiophene
• Formula: C17 H14 F6 S2
• Calculated formula: C17 H14 F6 S2
• Title of publication: X-ray Crystallographic Study on Single-Crystalline Photochromism of Bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene
• Authors of publication: Taro Yamada; Seiya Kobatake; Keishi Muto; Masahiro Irie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 1589 - 1592
• a: 6.2674 ± 0.0012 Å
• b: 24.787 ± 0.005 Å
• c: 11.381 ± 0.002 Å
• α: 90°
• β: 103.639 ± 0.003°
• γ: 90°
• Cell volume: 1718.2 ± 0.6 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: 0.0647
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No