Information card for entry 2003506

Structure parameters

• Formula: C32 H46 O7
• Calculated formula: C32 H46 O7
• SMILES: COC(=O)C(=O)C([C@@H]1CC[C@@]2([C@@H]([C@@]1(C)C=O)C(=O)C=C1[C@@]2(C)CC[C@@]2([C@H]1CC(CC2)(C)C)C(=O)OC)C)(C)C
• Title of publication: Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters
• Authors of publication: Gzella, A.; Wrzeciono, U.; Zaprutko, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 908 - 912
• a: 7.709 ± 0.001 Å
• b: 18.293 ± 0.002 Å
• c: 21.082 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2973 ± 0.7 ų
• Cell temperature: 293 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 significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 3.8027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No