Information card for entry 2003847

Structure parameters

• Formula: C19 H18 O5
• Calculated formula: C19 H18 O5
• SMILES: O1C(CC(=O)c2ccc(OCC(=O)OCC)cc12)c1ccccc1
• Title of publication: 7-Hydroxyflavanone (I) and 7-Ethoxycarbonylmethoxyflavanone (II)
• 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: 9
• Pages of publication: 1880 - 1883
• a: 7.238 ± 0.003 Å
• b: 7.822 ± 0.003 Å
• c: 29.518 ± 0.013 Å
• α: 90°
• β: 90.48 ± 0.04°
• γ: 90°
• Cell volume: 1671.1 ± 1.2 ų
• Cell temperature: 298 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 significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0474
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No