Information card for entry 2005055

Structure parameters

• Formula: C23 H36 O4
• Calculated formula: C23 H36 O4
• SMILES: O=C1CC[C@]2([C@H](C1(C)C)CC[C@@]13[C@@H]2CC[C@]2(C3)[C@@H](O1)COC(OC2)(C)C)C
• Title of publication: Acetonide-3-trinervinone
• Authors of publication: Soriano-García, M.; Jiménez, M.; González de la Parra, M.; Navarro, A.; Campos, M. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1460 - 1462
• a: 8.664 ± 0.002 Å
• b: 12.314 ± 0.004 Å
• c: 19.763 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2108.5 ± 0.9 ų
• Cell temperature: 296 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: 0.052
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for significantly intense reflections: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No