Information card for entry 1529075

Structure parameters

• Formula: C28.52 H21.52 F6 N0.48 O2 S2
• Calculated formula: C28.52 H21.52 F6 N0.48 O2 S2
• Title of publication: Light-driven bending of diarylethene mixed crystals
• Authors of publication: Ohshima, Satoko; Morimoto, Masakazu; Irie, Masahiro
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5746
• a: 18.2529 ± 0.0005 Å
• b: 6.5741 ± 0.0002 Å
• c: 21.2658 ± 0.0006 Å
• α: 90°
• β: 100.998 ± 0.0014°
• γ: 90°
• Cell volume: 2504.95 ± 0.13 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No