Information card for entry 7151762

Structure parameters

• Formula: C20 H26 O6
• Calculated formula: C20 H26 O6
• SMILES: O1COc2cc(ccc12)C1=C[C@H](C[C@@H]2[C@H]1OC(O2)(C)C)CC(OC)OC.O1COc2cc(ccc12)C1=C[C@@H](C[C@H]2[C@@H]1OC(O2)(C)C)CC(OC)OC
• Title of publication: Total synthesis of the Amaryllidaceae alkaloid clivonine.
• Authors of publication: Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 2809 - 2820
• a: 14.5941 ± 0.0004 Å
• b: 9.4049 ± 0.0002 Å
• c: 13.8121 ± 0.0003 Å
• α: 90°
• β: 91.949 ± 0.002°
• γ: 90°
• Cell volume: 1894.7 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No