Information card for entry 2211582

Structure parameters

• Chemical name: 2-Anilino-3-benzoyl-4-(2-chlorophenyl)-7,7-dimethyl-7,8-dihydro- 4H-chromen-5(6H)-one
• Formula: C30 H26 Cl N O3
• Calculated formula: C30 H26 Cl N O3
• SMILES: Clc1c(C2C3=C(OC(=C2C(=O)c2ccccc2)Nc2ccccc2)CC(CC3=O)(C)C)cccc1
• Title of publication: 2-Anilino-3-benzoyl-4-(2-chlorophenyl)-7,7-dimethyl-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one
• Authors of publication: Ming Li; En-Tao Sun; Li-Rong Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5607 - o5608
• a: 19.982 ± 0.005 Å
• b: 13.768 ± 0.004 Å
• c: 19.018 ± 0.005 Å
• α: 90°
• β: 103.956 ± 0.003°
• γ: 90°
• Cell volume: 5078 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0827
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes