Information card for entry 4104253

Structure parameters

• Formula: C29 H44 N2 O5 Si
• Calculated formula: C29 H44 N2 O5 Si
• SMILES: [Si](OC[C@@H]1[C@@]23[C@]4(N(c5c3cc(OC)cc5)C(=O)OC(C)(C)C)N(CC2)C(=O)C[C@H]1CC4)(C)(C)C(C)(C)C.[Si](OC[C@H]1[C@]23[C@@]4(N(c5c3cc(OC)cc5)C(=O)OC(C)(C)C)N(CC2)C(=O)C[C@@H]1CC4)(C)(C)C(C)(C)C
• Title of publication: Total Synthesis of the Akuammiline Alkaloid (\±)-Vincorine
• Authors of publication: Min Zhang; Xiaoping Huang; Liqun Shen; Yong Qin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6013 - 6020
• a: 7.591 ± 0.001 Å
• b: 14.08 ± 0.002 Å
• c: 14.268 ± 0.003 Å
• α: 94.31 ± 0.01°
• β: 103.19 ± 0.01°
• γ: 90.93 ± 0.01°
• Cell volume: 1479.7 ± 0.4 ų
• Cell temperature: 286 ± 2 K
• Ambient diffraction temperature: 286 ± 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: 0.0966
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No