Information card for entry 4022996

Structure parameters

• Formula: C20 H18 N2 O3
• Calculated formula: C20 H18 N2 O3
• SMILES: O=n1c(cccc1C(O)C(=O)N(c1ccccc1)c1ccccc1)C
• Title of publication: Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides
• Authors of publication: Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9195 - 9202
• a: 10.7259 ± 0.0006 Å
• b: 18.5233 ± 0.001 Å
• c: 17.1998 ± 0.0009 Å
• α: 90°
• β: 94.687 ± 0.003°
• γ: 90°
• Cell volume: 3405.8 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.113
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No