Information card for entry 2004276

Structure parameters

• Formula: C16 H21 N O4
• Calculated formula: C16 H21 N O4
• SMILES: COC1=N[C@@](C)(C(=O)O[C@H]1C(C)C)[C@H](c1ccccc1)O
• Title of publication: Structural Investigation of Dihydrooxazinones
• Authors of publication: Bolte, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2587 - 2593
• a: 8.039 ± 0.001 Å
• b: 11.097 ± 0.001 Å
• c: 8.498 ± 0.001 Å
• α: 90°
• β: 98.92 ± 0.01°
• γ: 90°
• Cell volume: 748.93 ± 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: 0.027
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 1.37
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No