Information card for entry 2236091

Structure parameters

• Common name: 2-[2-(3,4-Dimethoxybenzoyl)benzoyl]thiophene
• Chemical name: (3,4-Dimethoxyphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone
• Formula: C20 H16 O4 S
• Calculated formula: C20 H16 O4 S
• SMILES: COc1ccc(cc1OC)C(=O)c1ccccc1C(=O)c1cccs1
• Title of publication: (3,4-Dimethoxyphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone
• Authors of publication: Ganesh, G.; Sivasakthikumaran, R.; Govindan, E.; Krishnan, A. K. Mohana; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2844
• a: 15.7324 ± 0.0006 Å
• b: 10.7988 ± 0.0005 Å
• c: 20.4877 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3480.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes