Information card for entry 2203657

Structure parameters

• Common name: 1-hydroxy-2,3,4,7-tetramethoxyxanthone
• Chemical name: 1-hydroxy-2,3,4,7-tetramethoxy-9H-xanthen-9-one
• Formula: C17 H16 O7
• Calculated formula: C17 H16 O7
• SMILES: O(C)c1cc2c(oc3c(c2=O)c(O)c(OC)c(OC)c3OC)cc1
• Title of publication: 1-Hydroxy-2,3,4,7-tetramethoxyxanthone from<i>Swertia Chirayita</i>
• Authors of publication: Gao-Feng Shi; Run-Hua Lu; Yun-Shang Yang; Chun-lei Li; Ai-Mei Yang; Li-Xiang Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o878 - o880
• a: 7.151 ± 0.001 Å
• b: 13.229 ± 0.003 Å
• c: 16.044 ± 0.003 Å
• α: 90°
• β: 95.18 ± 0.03°
• γ: 90°
• Cell volume: 1511.6 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2285
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes