Information card for entry 1546219

Structure parameters

• Formula: C28 H41 N O11
• Calculated formula: C28 H41 N O11
• SMILES: C1Oc2c(cc3c(c2)CCN2[C@@]4([C@H]3[C@@H](C(=C4)OC)OC(=O)[C@](CC(=O)OC)(CCC(C)(C)O)O)CCC2)O1.O.O
• 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: 10.77 ± 0.005 Å
• b: 15.109 ± 0.007 Å
• c: 17.72 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2883 ± 2 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: 0.0626
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No