Information card for entry 4505747

Structure parameters

• Formula: C37 H16 F16 S2
• Calculated formula: C37 H16 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: 29.337 ± 0.006 Å
• b: 8.0513 ± 0.0017 Å
• c: 31.583 ± 0.006 Å
• α: 90°
• β: 117.188 ± 0.004°
• γ: 90°
• Cell volume: 6636 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No