Information card for entry 4118705

Structure parameters

• Formula: C21 H18 N2 O
• Calculated formula: C21 H18 N2 O
• SMILES: N1(=NC(=O)[C@H]2[C@@H]3CC[C@H]([C@@H]12)C3)=C1c2ccccc2c2ccccc12.N1(=NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]12)C3)=C1c2ccccc2c2ccccc12
• 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: 7.1212 ± 0.0005 Å
• b: 10.1936 ± 0.0006 Å
• c: 20.9572 ± 0.0014 Å
• α: 90°
• β: 95.486 ± 0.003°
• γ: 90°
• Cell volume: 1514.33 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No