Information card for entry 2202154

Structure parameters

• Common name: Flavone
• Formula: C15 H10 O2
• Calculated formula: C15 H10 O2
• SMILES: c1(=O)cc(c2ccccc2)oc2c1cccc2
• Title of publication: Flavone
• Authors of publication: Waller, Mark P.; Hibbs, David E.; Overgaard, Jacob; Hanrahan, Jane R.; Hambley, Trevor W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o767 - o768
• a: 8.281 ± 0.002 Å
• b: 13.216 ± 0.004 Å
• c: 19.737 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2160.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes