Information card for entry 2226816

Structure parameters

• Chemical name: 5-Hydroxy-7-methoxy-2-methyl-4<i>H</i>-chromen-4-one
• Formula: C11 H10 O4
• Calculated formula: C11 H10 O4
• SMILES: COc1cc(O)c2c(c1)oc(cc2=O)C
• Title of publication: 5-Hydroxy-7-methoxy-2-methyl-4<i>H</i>-chromen-4-one from <i>Dysoxylum macrocarpum</i> (Meliaceae)
• Authors of publication: Najmuldeen, Ibrahim A.; Abdul Hadi, Abdul Hamid; Awang, Khalijah; Mohamad, Khalit; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1883
• a: 7.7393 ± 0.0003 Å
• b: 14.5373 ± 0.0006 Å
• c: 16.8263 ± 0.0007 Å
• α: 90°
• β: 98.848 ± 0.001°
• γ: 90°
• Cell volume: 1870.57 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes