Information card for entry 2023309

Structure parameters

• Formula: C17 H14 F6 S2
• Calculated formula: C17 H14 F6 S2
• Title of publication: Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates
• Authors of publication: Isobe, Mami; Kitagawa, Daichi; Kobatake, Seiya
• Journal of publication: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• a: 12.047 ± 0.003 Å
• b: 17.4 ± 0.005 Å
• c: 16.281 ± 0.005 Å
• α: 90°
• β: 92.306 ± 0.003°
• γ: 90°
• Cell volume: 3410 ± 1.7 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes