Information card for entry 2212964

Structure parameters

• Chemical name: Methyl 1-tert-butyl-4-(hydroxydiphenylmethyl)-2-oxopyrrolidine-3-carboxylate
• Formula: C23 H27 N O4
• Calculated formula: C23 H27 N O4
• SMILES: C(N1C(=O)[C@@H]([C@H](C1)C(O)(c1ccccc1)c1ccccc1)C(=O)OC)(C)(C)C.C(N1C(=O)[C@H]([C@@H](C1)C(O)(c1ccccc1)c1ccccc1)C(=O)OC)(C)(C)C
• Title of publication: Methyl 1-<i>tert</i>-butyl-4-(hydroxydiphenylmethyl)-2-oxopyrrolidine-3-carboxylate
• Authors of publication: Jin-Di Yu; Gao-Yan Lian; Dan-Wei Zhang; Jing-Mei Wang; Min-Qin Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1766 - o1768
• a: 13.426 ± 0.002 Å
• b: 11.001 ± 0.002 Å
• c: 13.933 ± 0.004 Å
• α: 90°
• β: 97.85 ± 0.01°
• γ: 90°
• Cell volume: 2038.6 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1272
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes