Information card for entry 2003619

Structure parameters

• Chemical name: 7-Hydroxy-4'-methoxy Flavanone
• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• SMILES: COc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2)O
• Title of publication: 7-Hydroxy-4'-methoxyflavanone
• Authors of publication: Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1442 - 1444
• a: 12.841 ± 0.007 Å
• b: 8.113 ± 0.004 Å
• c: 14.219 ± 0.007 Å
• α: 90°
• β: 115.89 ± 0.04°
• γ: 90°
• Cell volume: 1332.6 ± 1.3 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: 0.1035
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections: 0.1868
• Weighted residual factors for significantly intense reflections: 0.1614
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No