Information card for entry 4307899

Structure parameters

• Common name: 06123
• Formula: C17 H15 N O3
• Calculated formula: C17 H15 N O3
• SMILES: O=C1Oc2ccccc2C(=O)[C@]1(N(C)C)c1ccccc1
• Title of publication: N,N'-Dimethylformamide-Derived Products from Catalytic Oxidation of 3-Hydroxyflavone
• Authors of publication: Aramice Y. S. Malkhasian; Maila E. Finch; Borislava Nikolovski; Adarsh Menon; Benjamin E. Kucera; Ferman A. Chavez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2950 - 2952
• a: 8.7252 ± 0.0013 Å
• b: 11.5021 ± 0.0017 Å
• c: 13.944 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1399.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No