Information card for entry 2008533

Structure parameters

• Chemical name: Oleana-13(18), 15(16)-diene-3β, 28-diol diacetate
• Formula: C34 H52 O4
• Calculated formula: C34 H52 O4
• SMILES: CC(=O)OC[C@@]12CCC(CC2=C2[C@](C=C1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)OC(=O)C)(C)C
• Title of publication: Dimethyl oleana-13(18),15(16)-diene-3β,28-diacetate
• Authors of publication: Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Bocelli, Gabriele; Righi, Lara
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 992 - 994
• a: 14.835 ± 0.002 Å
• b: 7.157 ± 0.003 Å
• c: 14.971 ± 0.003 Å
• α: 90°
• β: 103.05 ± 0.04°
• γ: 90°
• Cell volume: 1548.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1122
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections: 0.1716
• Weighted residual factors for significantly intense reflections: 0.1247
• Goodness-of-fit parameter for all reflections: 0.822
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes