Information card for entry 4505746

Structure parameters

• Formula: C30 H11 F16 S2
• Calculated formula: C30 H11 F16 S2
• Title of publication: Aryl−Perfluoroaryl Interaction in Photochromic Diarylethene Crystals
• Authors of publication: Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 847
• a: 8.565 ± 0.003 Å
• b: 12.886 ± 0.004 Å
• c: 12.896 ± 0.004 Å
• α: 91.569 ± 0.006°
• β: 101.802 ± 0.005°
• γ: 100.209 ± 0.006°
• Cell volume: 1368.2 ± 0.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No