Information card for entry 2005973

Structure parameters

• Chemical name: succinyl oleanolic acid
• Formula: C34 H52 O6
• Calculated formula: C34 H52 O6
• SMILES: O=C(O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C)CCC(=O)O
• Title of publication: Succinyl Oleanolic Acid
• Authors of publication: Yang, J.; Quail, J. W.; Jia, Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 349 - 351
• a: 7.371 ± 0.0007 Å
• b: 11.1271 ± 0.0016 Å
• c: 19.191 ± 0.0016 Å
• α: 90°
• β: 99.725 ± 0.008°
• γ: 90°
• Cell volume: 1551.4 ± 0.3 ų
• Cell temperature: 287 K
• Ambient diffraction temperature: 287 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No