Information card for entry 7151765

Structure parameters

• Formula: C25 H26 Cl N O5
• Calculated formula: C25 H26 Cl N O5
• SMILES: N1([C@H]2[C@@H]([C@H]3OC(O[C@H]3C[C@H]2CC1)(C)C)c1cc2OCOc2cc1)C(=O)c1ccc(Cl)cc1.N1([C@@H]2[C@H]([C@@H]3OC(O[C@@H]3C[C@@H]2CC1)(C)C)c1cc2OCOc2cc1)C(=O)c1ccc(Cl)cc1
• 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: 6.0988 ± 0.0002 Å
• b: 11.8551 ± 0.0004 Å
• c: 16.3205 ± 0.0005 Å
• α: 102.804 ± 0.003°
• β: 98.74 ± 0.003°
• γ: 102.13 ± 0.003°
• Cell volume: 1100.31 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No