Information card for entry 7150774

Structure parameters

• Formula: C22 H20 Cl N O2
• Calculated formula: C22 H20 Cl N O2
• SMILES: Clc1c(cccc1)C(=O)C1=C(N(C(=C(C1)C(=O)C)C)C)c1ccccc1
• Title of publication: l-Proline-catalyzed synthesis of highly functionalized multisubstituted 1,4-dihydropyridines
• Authors of publication: Jiang, Huanfeng; Mai, Ronghuan; Cao, Hua; Zhu, Qiuhua; Liu, Xiaohang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 23
• Pages of publication: 4943 - 4953
• a: 17.53 ± 0.003 Å
• b: 14.759 ± 0.003 Å
• c: 14.559 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3766.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1059
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No