Information card for entry 2005370

Structure parameters

• Formula: C16 H25 N O4
• Calculated formula: C16 H25 N O4
• SMILES: O1C(=O)[C@@](N=C([C@@H]1C(C)(C)C)OC)(C)[C@H]1CC(=O)CCC1.O1C(=O)[C@](N=C([C@H]1C(C)(C)C)OC)(C)[C@@H]1CC(=O)CCC1
• Title of publication: A Dihydrooxazinone
• Authors of publication: Beck, H.; Egert, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2253 - 2254
• a: 6.806 ± 0.001 Å
• b: 8.166 ± 0.001 Å
• c: 15.568 ± 0.002 Å
• α: 100.69 ± 0.01°
• β: 94.99 ± 0.02°
• γ: 103.29 ± 0.01°
• Cell volume: 819.8 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 1.58
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No