Information card for entry 4307900

Structure parameters

• Common name: 06110
• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• SMILES: O=C1c2ccccc2OC1(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: 6.9123 ± 0.0006 Å
• b: 9.3536 ± 0.0008 Å
• c: 11.0002 ± 0.0009 Å
• α: 82.589 ± 0.001°
• β: 72.43 ± 0.001°
• γ: 69.268 ± 0.001°
• Cell volume: 633.94 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0881
• 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