Information card for entry 4003281

Structure parameters

• Chemical name: 1-(2-methyl-5-(4-(phenylcarbarylmethyl)phenyl)-3-thienyl)-2-(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene
• Formula: C35 H25 F6 N O2 S2
• Calculated formula: C35 H25 F6 N O2 S2
• Title of publication: Photoinduced Rapid and Explosive Fragmentation of Diarylethene Crystals Having Urethane Bonding
• Authors of publication: Kitagawa, Daichi; Okuyama, Tomohiro; Tanaka, Rika; Kobatake, Seiya
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 4889
• a: 9.246 ± 0.003 Å
• b: 10.857 ± 0.003 Å
• c: 60.062 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6029 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2454
• Weighted residual factors for all reflections included in the refinement: 0.2616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No