Information card for entry 2237826

Structure parameters

• Common name: Alternariol 9-<i>O</i>-methyl ether dimethyl sulfoxide monosolvate
• Chemical name: 3,7-Dihydroxy-9-methoxy-1-methyl-6<i>H</i>-benzo[<i>c</i>]chromen-6-one dimethylsulfoxide monosolvate
• Formula: C17 H18 O6 S
• Calculated formula: C17 H18 O6 S
• Title of publication: Alternariol 9-<i>O</i>-methyl ether dimethyl sulfoxide monosolvate
• Authors of publication: Dasari, Sreekanth; Miller, Kristin I.; Kalaitzis, John A.; Bhadbhade, Mohan; Neilan, Brett A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o872 - o873
• a: 18.8906 ± 0.0008 Å
• b: 6.8391 ± 0.0003 Å
• c: 15.3542 ± 0.0008 Å
• α: 90°
• β: 126.815 ± 0.003°
• γ: 90°
• Cell volume: 1588.08 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes