Information card for entry 2009907

Structure parameters

• Formula: C14 H17 N O3
• Calculated formula: C14 H17 N O3
• SMILES: CC([C@@H]1OC(=O)[C@H](NC1=O)Cc1ccccc1)C
• Title of publication: A 2,5-diketomorpholine
• Authors of publication: Bolte, M.; Egert, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1117 - 1118
• a: 9.873 ± 0.001 Å
• b: 6.129 ± 0.001 Å
• c: 11.594 ± 0.001 Å
• α: 90°
• β: 108.23 ± 0.01°
• γ: 90°
• Cell volume: 666.36 ± 0.15 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.79
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No