Information card for entry 2222495

Structure parameters

• Chemical name: Maleopimaric acid acetic acid solvate
• Formula: C26 H36 O7
• Calculated formula: C26 H36 O7
• SMILES: C1(=O)[C@H]2[C@@H]3C[C@@H]4[C@]([C@H]2C(=O)O1)(C=C3C(C)C)CC[C@@H]1[C@@](CCC[C@@]41C)(C)C(=O)O.C(=O)(C)O
• Title of publication: Maleopimaric acid acetic acid solvate
• Authors of publication: Zhang, Meng; Zhou, Yong-hong; Guo, Xiao-xin; Hu, Li-hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1714
• a: 7.9469 ± 0.001 Å
• b: 12.7755 ± 0.0016 Å
• c: 24.884 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2526.4 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes