Information card for entry 1520274

Structure parameters

• Formula: C17 H21 N O4
• Calculated formula: C17 H21 N O4
• SMILES: C1(=O)N([C@H](CO1)C(C)C)[C@@H]1C[C@H]1COC(=O)c1ccccc1
• Title of publication: C17H21NO4
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Motherwell, W.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 416
• a: 7.4019 ± 0.0002 Å
• b: 15.8155 ± 0.0003 Å
• c: 26.8034 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3137.73 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No