Information card for entry 1519348

Structure parameters

• Formula: C15 H17 N O4
• Calculated formula: C15 H17 N O4
• SMILES: C1(=O)[C@@H]2C[C@@H](C[C@H](C(=O)OC)N2Cc2ccccc2)O1
• Title of publication: C15H17NO4
• Authors of publication: Littlechild, Jenny A.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 780
• a: 7.6905 ± 0.0015 Å
• b: 9.93 ± 0.002 Å
• c: 9.0526 ± 0.0018 Å
• α: 90°
• β: 97.07 ± 0.03°
• γ: 90°
• Cell volume: 686.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No