Information card for entry 2237345

Structure parameters

• Common name: 7-Methoxyflavanone
• Chemical name: 7-Methoxy-2-phenylchroman-4-one
• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• SMILES: COc1ccc2c(c1)OC(CC2=O)c1ccccc1
• Title of publication: 7-Methoxy-2-phenylchroman-4-one
• Authors of publication: Piaskowska, Agata; Hodorowicz, Maciej; Nitek, Wojciech
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o271
• a: 8.56 ± 0.0003 Å
• b: 6.632 ± 0.0002 Å
• c: 23.413 ± 0.0007 Å
• α: 90°
• β: 90.742 ± 0.002°
• γ: 90°
• Cell volume: 1329.04 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2556
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes