Information card for entry 1555773

Structure parameters

• Formula: C28 H25 N O2
• Calculated formula: C28 H25 N O2
• SMILES: N1([C@](c2oc(c(c2)C(=O)C)C)([C@H]1c1ccccc1)c1ccccc1)c1cc(ccc1)C.N1([C@@](c2oc(c(c2)C(=O)C)C)([C@@H]1c1ccccc1)c1ccccc1)c1cc(ccc1)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: 9.92 ± 0.002 Å
• b: 11.199 ± 0.002 Å
• c: 12.122 ± 0.002 Å
• α: 64.365 ± 0.004°
• β: 68.38 ± 0.004°
• γ: 81.92 ± 0.004°
• Cell volume: 1128.4 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No