Information card for entry 2201089

Structure parameters

• Common name: Arjunolic acid
• Chemical name: 2α,3β-24-trihydroxyolean-12-en-28-oic acid
• Formula: C30 H48 O5
• Calculated formula: C30 H48 O5
• SMILES: O[C@@H]1C[C@]2([C@H]([C@@]([C@H]1O)(CO)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)C
• Title of publication: Arjunolic acid
• Authors of publication: Abdul Ajees, A.; Balakrishna, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o682 - o684
• a: 11.58 ± 0.002 Å
• b: 14.623 ± 0.002 Å
• c: 15.952 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2701.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.162
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No