Information card for entry 4022994

Structure parameters

• Formula: C38 H32 N4 O5
• Calculated formula: C38 H32 N4 O5
• SMILES: O=n1ccccc1C(O)C(=O)N(c1ccccc1)c1ccccc1.O=n1ccccc1CC(=O)N(c1ccccc1)c1ccccc1
• 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: 6.107 ± 0.0003 Å
• b: 16.1821 ± 0.0008 Å
• c: 15.2318 ± 0.0007 Å
• α: 90°
• β: 92.612 ± 0.002°
• γ: 90°
• Cell volume: 1503.7 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No