Information card for entry 8102798

Structure parameters

• Formula: C24 H24 O S2
• Calculated formula: C24 H24 O S2
• SMILES: s1c(c(C2=C(CC(c3ccc(cc3)C=O)C2)c2c(sc(c2)C)C)cc1C)C
• Title of publication: Crystal structure of 4-(3,4-bis(2,5-dimethylthiophen-3-yl)cyclopent-3-en-1-yl)benzaldehyde, C24H24OS2
• Authors of publication: Xiaochuan Li; Jing Li; Aiping Zhang; Shuangshuang Li; Jiajia Zhu; Honggai Liu; Young-A Son
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 606
• a: 17.971 ± 0.008 Å
• b: 14.91 ± 0.007 Å
• c: 7.964 ± 0.004 Å
• α: 90°
• β: 93.453 ± 0.006°
• γ: 90°
• Cell volume: 2130.1 ± 1.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2301
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No