Information card for entry 8105911

Structure parameters

• Formula: C41 H26 F6 N2 S2
• Calculated formula: C41 H26 F6 N2 S2
• Title of publication: Crystal structure and photochromic properties of 1-(2-methyl-5-phenyl-3-thienyl)-2-{2-methyl-5-[4-(9-fluorenone hydrazone)-phenyl]-3-thienyl}perfluorocyclopentene, C41H26F6N2S2
• Authors of publication: Xu, Dongming; Zheng, Chunhong; Pu, Shouzhi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 979 - 981
• a: 11.7525 ± 0.0012 Å
• b: 12.243 ± 0.0012 Å
• c: 13.421 ± 0.0013 Å
• α: 84.914 ± 0.001°
• β: 66.86 ± 0.001°
• γ: 82.543 ± 0.001°
• Cell volume: 1759.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No