Information card for entry 1519596

Structure parameters

• Formula: C20 H24 N2 O5
• Calculated formula: C20 H24 N2 O5
• SMILES: CN1C(=O)[C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@@H]1Cc1ccc(cc1)O.O
• Title of publication: C20H24N2O5
• Authors of publication: Croft, Anna K.; Foley, Mark K.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 876
• a: 8.5936 ± 0.0018 Å
• b: 7.2355 ± 0.0014 Å
• c: 15.311 ± 0.007 Å
• α: 90°
• β: 103.98 ± 0.03°
• γ: 90°
• Cell volume: 923.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0573
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No