Information card for entry 2007032

Structure parameters

• Chemical name: 2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
• Formula: C17 H16 O5
• Calculated formula: C17 H16 O5
• SMILES: O1C(CC(=O)c2c(cc(c(c12)O)OC)OC)c1ccccc1
• Title of publication: 2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one
• Authors of publication: Kan Chantrapromma; Vatcharee Seechamnanturakit; Chaveng Pakawatchai; Suchada Chantrapromma; Kandasamy Chinnakali; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: IUC9800001
• a: 36.858 ± 0.005 Å
• b: 6.5975 ± 0.001 Å
• c: 12.145 ± 0.002 Å
• α: 90°
• β: 101.255 ± 0.01°
• γ: 90°
• Cell volume: 2896.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections: 0.3289
• Weighted residual factors for significantly intense reflections: 0.3023
• Goodness-of-fit parameter for all reflections: 1.12
• Goodness-of-fit parameter for significantly intense reflections: 1.426
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No