Information card for entry 2202583

Structure parameters

• Common name: Fulvic acid
• Chemical name: 3,7,8-Trihydroxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene- 9-carboxylic acid (fulvic acid)
• Formula: C14.75 H15 O8.75
• Calculated formula: C14.75 H15 O8.75
• SMILES: o1c2cc(O)c(O)c(c2c(=O)c2c1CC(OC2)(O)C)C(=O)O.OC
• Title of publication: 3,7,8-Trihydroxy-3-methyl-10-oxo-4,10-dihydro-1<i>H</i>,3<i>H</i>-pyrano[4,3-<i>b</i>]chromene-9-carboxylic acid (fulvic acid) methanol 0.75-solvate
• Authors of publication: Wang, Jian-Feng; Fang, Mei-Juan; Huang, Hui-Qiong; Li, Gui-Ling; Su, Wen-Jin; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1517 - o1518
• a: 12.483 ± 0.0007 Å
• b: 12.6558 ± 0.0008 Å
• c: 19.0259 ± 0.0013 Å
• α: 94.608 ± 0.003°
• β: 100.871 ± 0.003°
• γ: 98.399 ± 0.003°
• Cell volume: 2902.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes