Information card for entry 2211721

Structure parameters

• Chemical name: 5,7-Dimethoxy-2H-chromen-2-one
• Formula: C11 H10 O4
• Calculated formula: C11 H10 O4
• SMILES: c1(cc(c2ccc(=O)oc2c1)OC)OC
• Title of publication: 5,7-Dimethoxy-2<i>H</i>-chromen-2-one
• Authors of publication: Hu, Zhi-Yan; Fan, Jie-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o345 - o346
• a: 10.518 ± 0.003 Å
• b: 6.706 ± 0.002 Å
• c: 13.652 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 962.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes