Information card for entry 8106590

Structure parameters

• Formula: C29 H16 F6 N2 S2
• Calculated formula: C29 H16 F6 N2 S2
• Title of publication: The crystal structure of 1,2-bis[2-methyl-5-(3-cyanophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C29H16F6N2S2
• Authors of publication: Lei, Luo-Na; Xu, Wen-Yuan; Yi, Jian-Min
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 517 - 519
• a: 18.91 ± 0.003 Å
• b: 8.572 ± 0.0014 Å
• c: 16.757 ± 0.003 Å
• α: 90°
• β: 100.474 ± 0.002°
• γ: 90°
• Cell volume: 2671 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No