Information card for entry 4022995

Structure parameters

• Formula: C20 H18 N2 O
• Calculated formula: C20 H18 N2 O
• SMILES: O=C(N(c1ccccc1)c1ccccc1)Cc1nc(ccc1)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: 15.9783 ± 0.0016 Å
• b: 6.2843 ± 0.0007 Å
• c: 32.044 ± 0.003 Å
• α: 90°
• β: 101.218 ± 0.005°
• γ: 90°
• Cell volume: 3156.2 ± 0.6 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No