Information card for entry 4500342

Structure parameters

• Chemical name: 1,2-dimethoxy-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo-[10.3.0.0^2,6^.0^7,11^] pentadeca-4,6(7),11(12),13-tetraene (1b)
• Formula: C27 H18 F6 O2 S2
• Calculated formula: C27 H18 F6 O2 S2
• Title of publication: High-Convertible Photochromism of a Diarylethene Single Crystal Accompanying the Crystal Shape Deformation
• Authors of publication: Kobatake, Seiya; Hasegawa, Hiroki; Miyamura, Kentaro
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1223
• a: 16.2352 ± 0.0016 Å
• b: 10.4609 ± 0.001 Å
• c: 15.2238 ± 0.0015 Å
• α: 90°
• β: 112.103 ± 0.002°
• γ: 90°
• Cell volume: 2395.5 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No