Information card for entry 4102842

Structure parameters

• Formula: C32 H29 N O4
• Calculated formula: C32 H29 N O4
• SMILES: O=C1N([C@@H]([C@H]1C(=O)OC)COCc1ccccc1)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: 10.8506 ± 0.0018 Å
• b: 13.267 ± 0.002 Å
• c: 17.997 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2590.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No