Information card for entry 1555774

Structure parameters

• Formula: C37 H41 N3 O6
• Calculated formula: C37 H41 N3 O6
• SMILES: N1([C@@H](N(N([C@@]1(c1oc(c(c1)C(=O)C)C)c1ccc(cc1)C(C)(C)C)C(=O)OCC)C(=O)OCC)c1ccccc1)c1ccccc1.N1([C@H](N(N([C@]1(c1oc(c(c1)C(=O)C)C)c1ccc(cc1)C(C)(C)C)C(=O)OCC)C(=O)OCC)c1ccccc1)c1ccccc1
• 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: 11.0788 ± 0.0015 Å
• b: 11.3956 ± 0.0017 Å
• c: 13.782 ± 0.002 Å
• α: 74.825 ± 0.003°
• β: 88.857 ± 0.004°
• γ: 85.704 ± 0.004°
• Cell volume: 1674.6 ± 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: 0.1377
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No