Information card for entry 1545749

Structure parameters

• Formula: C29 H39 N O9
• Calculated formula: C29 H39 N O9
• SMILES: N12CCc3c(cc4OCOc4c3)[C@H]3[C@]1(CCC2)C=C(OC)[C@H]3OC(=O)[C@](O)(CC(=O)OC)CCCC(O)(C)C
• Title of publication: Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction.
• Authors of publication: Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 2250 - 2253
• a: 11.732 ± 0.004 Å
• b: 15.204 ± 0.005 Å
• c: 15.864 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2829.7 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No