Information card for entry 4102845

Structure parameters

• Formula: C28 H29 N4 O5
• Calculated formula: C28 H29 N4 O5
• SMILES: O=C(C(=N#N)C(=O)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)OC)N(OC)C
• 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: 9.3264 ± 0.0014 Å
• b: 14.781 ± 0.002 Å
• c: 18.711 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2579.4 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No