Information card for entry 2228774

Structure parameters

• Chemical name: 6-Methoxy-4-methyl-2<i>H</i>-chromen-2-one
• Formula: C11 H10 O3
• Calculated formula: C11 H10 O3
• SMILES: o1c2ccc(OC)cc2c(cc1=O)C
• Title of publication: 6-Methoxy-4-methyl-2<i>H</i>-chromen-2-one
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Wu, Dongdong; Zhang, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o136
• a: 7.2554 ± 0.0002 Å
• b: 8.088 ± 0.0002 Å
• c: 8.545 ± 0.0002 Å
• α: 112.988 ± 0.001°
• β: 90.234 ± 0.001°
• γ: 93.873 ± 0.001°
• Cell volume: 460.31 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes