Information card for entry 7108626

Structure parameters

• Formula: C23 H21 N O3
• Calculated formula: C23 H21 N O3
• SMILES: o1c2c(c(c3ccc(cc3)C)c1C(=O)c1ncccc1)C(=O)CC(C2)(C)C
• Title of publication: Unexpected manganese(III) acetate-mediated reactions of beta-enamino carbonyl compounds with 1-(pyridin-2-yl)-enones under mechanical milling conditions
• Authors of publication: Zi Liu; Guang-Peng Fan; Guan-Wu Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11665
• a: 18.5722 ± 0.0006 Å
• b: 6.3147 ± 0.0003 Å
• c: 16.7573 ± 0.0007 Å
• α: 90°
• β: 93.197 ± 0.003°
• γ: 90°
• Cell volume: 1962.2 ± 0.14 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No