Information card for entry 2216601

Structure parameters

• Chemical name: 4,8-Dihydroxy-2,3-dimethoxy-1-(3-methylbut-2-enyl)-9<i>H</i>-xanthen-9-one
• Formula: C20 H20 O6
• Calculated formula: C20 H20 O6
• SMILES: O1c2cccc(O)c2C(=O)c2c1c(O)c(OC)c(OC)c2CC=C(C)C
• Title of publication: 4,8-Dihydroxy-2,3-dimethoxy-1-(3-methylbut-2-enyl)-9<i>H</i>-xanthen-9-one
• Authors of publication: Nawong Boonnak; Suchada Chantrapromma; Hoong-Kun Fun; Chatchanok Karalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4903 - o4904
• a: 4.3883 ± 0.0002 Å
• b: 32.273 ± 0.0013 Å
• c: 11.8006 ± 0.0005 Å
• α: 90°
• β: 92.733 ± 0.003°
• γ: 90°
• Cell volume: 1669.34 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0803
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes