Information card for entry 4120906

Structure parameters

• Formula: C30 H27 Br N2 O2
• Calculated formula: C30 H27 Br N2 O2
• SMILES: [C@](C(=O)OC)(/C=N/N(c1ccccc1)c1ccccc1)(Cc1ccc(Br)cc1)c1ccc(cc1)C
• Title of publication: Catalytic Asymmetric Insertion of Diazoesters into Aryl-CHO Bonds: Highly Enantioselective Construction of Chiral All-Carbon Quaternary Centers
• Authors of publication: Lizhu Gao; Byung Chul Kang; Do Hyun Ryu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 14556 - 14559
• a: 9.785 ± 0.003 Å
• b: 9.651 ± 0.003 Å
• c: 14.06 ± 0.004 Å
• α: 90°
• β: 101.86 ± 0.006°
• γ: 90°
• Cell volume: 1299.4 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1988
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.705
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No