Information card for entry 4028513

Structure parameters

• Formula: C24 H29 N O3
• Calculated formula: C24 H29 N O3
• SMILES: O(C(=O)N1[C@H](c2ccccc2C)CC(=O)C[C@H]1Cc1ccccc1)C(C)(C)C.O(C(=O)N1[C@@H](c2ccccc2C)CC(=O)C[C@@H]1Cc1ccccc1)C(C)(C)C
• Title of publication: Conjugate Addition Reactions of N-Carbamoyl-4-pyridones and 2,3-Dihydropyridones with Grignard Reagents in the Absence of Cu(I) Salts
• Authors of publication: Fenghai Guo; Ramesh C. Dhakal; R. Karl Dieter
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 8451 - 8464
• a: 9.797 ± 0.002 Å
• b: 6.1428 ± 0.0012 Å
• c: 35.557 ± 0.007 Å
• α: 90°
• β: 93.51 ± 0.03°
• γ: 90°
• Cell volume: 2135.8 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1263
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2368
• Weighted residual factors for all reflections included in the refinement: 0.294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No