Information card for entry 2006445

Structure parameters

• Formula: C26 H26 N2 O3 S2
• Calculated formula: C26 H26 N2 O3 S2
• SMILES: s1cccc1c1c(ccc(NC(=O)C)c1)c1c(cc(NC(=O)C)cc1)c1sccc1.OCC
• Title of publication: 4,4'-Bis(acetylamino)-2,2'-di(2-thienyl)biphenyl‒Ethanol (1/1)
• Authors of publication: Park, Koon Ha; Kang, Jin Soo; Oh, Mi-Ran; Suh, Il-Hwan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1320 - 1322
• a: 13.228 ± 0.003 Å
• b: 12.805 ± 0.002 Å
• c: 16.817 ± 0.006 Å
• α: 90°
• β: 119.35 ± 0.02°
• γ: 90°
• Cell volume: 2482.9 ± 1.2 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 5
• 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: 0.1478
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.0881
• Goodness-of-fit parameter for all reflections: 0.737
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No