Information card for entry 2007644

Structure parameters

• Formula: C23 H27 N O2
• Calculated formula: C23 H27 N O2
• SMILES: C[C@H](c1ccccc1)NC1=C(CC[C@@H]1C(O)(C)C)C(=O)c1ccccc1
• Title of publication: Enantiopure δ-Hydroxy-β-enamino Ketones
• Authors of publication: Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1306 - 1309
• a: 10.802 ± 0.003 Å
• b: 12.896 ± 0.008 Å
• c: 14.936 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2080.6 ± 1.6 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.152
• Weighted residual factors for significantly intense reflections: 0.086
• Goodness-of-fit parameter for significantly intense reflections: 1.178
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No