Information card for entry 2004274

Structure parameters

• Formula: C19 H31 N O4
• Calculated formula: C19 H31 N O4
• SMILES: COC1=N[C@@](C)(C(=O)O[C@H]1C(C)C)[C@@H](C1CCCCC1)CC(=O)C
• 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: 8.712 ± 0.001 Å
• b: 12.848 ± 0.002 Å
• c: 17.971 ± 0.002 Å
• α: 90°
• β: 90.39 ± 0.01°
• γ: 90°
• Cell volume: 2011.5 ± 0.4 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: 0.051
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 1.402
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No