Information card for entry 4118707

Structure parameters

• Formula: C31 H25 N3 O3
• Calculated formula: C31 H25 N3 O3
• SMILES: N12N([C@H]3[C@@H](C1=O)[C@@H]1CC[C@H]3C1)C1([C@@H]3C(=O)N(C(=O)[C@H]23)c2ccccc2)c2ccccc2c2ccccc12.N12N([C@@H]3[C@H](C1=O)[C@H]1CC[C@@H]3C1)C1([C@H]3C(=O)N(C(=O)[C@@H]23)c2ccccc2)c2ccccc2c2ccccc12
• Title of publication: A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes
• Authors of publication: Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 16111 - 16114
• a: 9.9898 ± 0.0002 Å
• b: 11.2967 ± 0.0003 Å
• c: 11.9851 ± 0.0003 Å
• α: 69.535 ± 0.001°
• β: 77.957 ± 0.001°
• γ: 87.466 ± 0.001°
• Cell volume: 1238.68 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No