Information card for entry 7151764

Structure parameters

• Formula: C19 H23 N O4
• Calculated formula: C19 H23 N O4
• SMILES: O1COc2cc3[C@@H]4[C@H]5OC(O[C@H]5C[C@H]5CCN(Cc3cc12)[C@@H]45)(C)C
• 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: 10.695 ± 0.001 Å
• b: 10.695 ± 0.001 Å
• c: 25.134 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2489.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No