Information card for entry 1555772

Structure parameters

• Formula: C35 H33 N O6
• Calculated formula: C35 H33 N O6
• SMILES: c1(c(cc([C@@]2(C(=C([C@@H](N2c2ccccc2)c2ccccc2)C(=O)OCC)C(=O)OCC)c2ccccc2)o1)C(=O)C)C.c1(c(cc([C@]2(C(=C([C@H](N2c2ccccc2)c2ccccc2)C(=O)OCC)C(=O)OCC)c2ccccc2)o1)C(=O)C)C
• Title of publication: A Route to Polysubstituted Aziridines from Carbenes and Imines through a Nondiazo Approach.
• Authors of publication: Luo, Hejiang; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 5208 - 5211
• a: 8.6021 ± 0.0013 Å
• b: 11.6111 ± 0.0017 Å
• c: 16.938 ± 0.003 Å
• α: 70.766 ± 0.003°
• β: 89.038 ± 0.003°
• γ: 68.763 ± 0.003°
• Cell volume: 1478.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No