Information card for entry 7151763

Structure parameters

• Formula: C21 H29 N O6
• Calculated formula: C21 H29 N O6
• SMILES: O1COc2cc(ccc12)C1=C[C@@H](C[C@H]2[C@@H]1OC(O2)(C)C)CCN(=O)=C(C)C.O.O1COc2cc(ccc12)C1=C[C@H](C[C@@H]2[C@H]1OC(O2)(C)C)CCN(=O)=C(C)C.O
• 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: 7.2818 ± 0.0001 Å
• b: 33.8728 ± 0.0003 Å
• c: 8.3252 ± 0.0001 Å
• α: 90°
• β: 104.148 ± 0.001°
• γ: 90°
• Cell volume: 1991.17 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No