Information card for entry 2206314

Structure parameters

• Common name: xanthone V1
• Chemical name: 5,9,10-Trihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)-2H,6H- pyrano[3,2-b]xanthen-6-one methanol solvate
• Formula: C24 H26 O7
• Calculated formula: C24 H26 O7
• SMILES: Oc1ccc2c(oc3c(c2=O)c(O)c2c(OC(C=C2)(C)C)c3CC=C(C)C)c1O.OC
• Title of publication: 5,9,10-Trihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)-2<i>H</i>,6<i>H</i>-pyrano[3,2-<i>b</i>]xanthen-6-one methanol solvate
• Authors of publication: Suchada Chantrapromma; Nawong Boonnak; Hoong-Kun Fun; Shazia Anjum; Atta-ur-Rahman; Chatchanok Karalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2136 - o2138
• a: 9.9258 ± 0.0011 Å
• b: 20.089 ± 0.002 Å
• c: 11.8605 ± 0.0013 Å
• α: 90°
• β: 111.324 ± 0.002°
• γ: 90°
• Cell volume: 2203.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2245
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes