Information card for entry 8102757

Structure parameters

• Formula: C24 H26 O S2
• Calculated formula: C24 H26 O S2
• Title of publication: Crystal structure of (4-(3,4-bis(2,5-dimethylthiophen-3-yl)cyclopent-3-en-1-yl)phenyl) methanol, C24H26OS2
• Authors of publication: Xiaochuan Li; Zhengzheng Guo; Young-A Son; Jiange Wang; Sheng Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 495
• a: 12.4931 ± 0.001 Å
• b: 40.201 ± 0.003 Å
• c: 8.487 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4262 ± 4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No