Information card for entry 2232743

Structure parameters

• Chemical name: 4-Methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methoxybenzenesulfonate
• Formula: C17 H14 O6 S
• Calculated formula: C17 H14 O6 S
• SMILES: S(=O)(=O)(Oc1cc2oc(=O)cc(c2cc1)C)c1ccc(OC)cc1
• Title of publication: 4-Methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methoxybenzenesulfonate
• Authors of publication: Sinha, Suman; Osman, Hasnah; Wahab, Habibah A.; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3457
• a: 7.9801 ± 0.0003 Å
• b: 9.2234 ± 0.0004 Å
• c: 10.9682 ± 0.0005 Å
• α: 99.049 ± 0.001°
• β: 90.288 ± 0.001°
• γ: 93.945 ± 0.001°
• Cell volume: 795.26 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes