Information card for entry 1520157

Structure parameters

• Formula: C24 H23 N O5
• Calculated formula: C24 H23 N O5
• SMILES: C1(=O)[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@@]1(CC[C@@]2(C(=O)OCC)O1)c1ccc(cc1)C.C1(=O)[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@]1(CC[C@]2(C(=O)OCC)O1)c1ccc(cc1)C
• Title of publication: C24H23NO5
• Authors of publication: McDonald, E.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 594
• a: 26.8727 ± 0.0005 Å
• b: 11.8039 ± 0.0002 Å
• c: 12.7914 ± 0.0003 Å
• α: 90°
• β: 100.374 ± 0.001°
• γ: 90°
• Cell volume: 3991.14 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No