Information card for entry 4102843

Structure parameters

• Formula: C33 H31 N2 O4
• Calculated formula: C33 H31 N2 O4
• SMILES: O=C1N([C@@H](COCc2ccccc2)[C@@H]1C(=O)N(OC)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis
• Authors of publication: Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11379 - 11385
• a: 9.51 ± 0.003 Å
• b: 11.941 ± 0.006 Å
• c: 23.992 ± 0.008 Å
• α: 90°
• β: 92.13 ± 0.03°
• γ: 90°
• Cell volume: 2722.6 ± 1.9 ų
• Cell temperature: 133 ± 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: 0.0698
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No