Information card for entry 2202986

Structure parameters

• Common name: anhydrofulvic acid
• Chemical name: 7,8-Dihydroxy-3-methyl-10-oxo-1H,10H-pyrano[4,3-b]chromene-9-carboxylic acid
• Formula: C14 H10 O7
• Calculated formula: C14 H10 O7
• SMILES: O1c2cc(c(c(c2C(=O)C2=C1C=C(OC2)C)C(=O)O)O)O
• Title of publication: 7,8-Dihydroxy-3-methyl-10-oxo-1<i>H</i>,10<i>H</i>-pyrano[4,3-<i>b</i>]chromene-9-carboxylic acid
• Authors of publication: Wang, Jian-Feng; Zhang, Yong-Jie; Fang, Mei-Juan; Huang, Yao-Jian; Wei, Zan-Bin; Zheng, Zhong-Hui; Su, Wen-Jin; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1244 - o1245
• a: 7.814 ± 0.005 Å
• b: 10.085 ± 0.005 Å
• c: 15.124 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.178 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1191.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes