Information card for entry 4102844

Structure parameters

• Formula: C33 H33 N2 O4
• Calculated formula: C33 H33 N2 O4
• SMILES: O=C1N(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](COCc2ccccc2)[C@@H]1C(=O)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: 7.76 ± 0.013 Å
• b: 10.958 ± 0.019 Å
• c: 15.61 ± 0.03 Å
• α: 90°
• β: 99.559 ± 0.016°
• γ: 90°
• Cell volume: 1309 ± 4 ų
• Cell temperature: 150 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No