Information card for entry 8105154

Structure parameters

• Formula: C23 H17 F6 N O S2
• Calculated formula: C23 H17 F6 N O S2
• Title of publication: Crystal structure and photochromism of 1-(2,5-dimethyl-3-thienyl)-2-[2-methyl-5-(benzaldoxime)-3-thienyl] perfluorocyclopentene, C23H17F6NOS2
• Authors of publication: Wu, Xiaoxiao; Liu, Hongliang; Yang, Yuping; Pu, Shouzhi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 505 - 507
• a: 8.379 ± 0.003 Å
• b: 11.509 ± 0.002 Å
• c: 12.817 ± 0.003 Å
• α: 71.272 ± 0.003°
• β: 81.342 ± 0.004°
• γ: 77.553 ± 0.003°
• Cell volume: 1138.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No