Information card for entry 7116124

Structure parameters

• Formula: C22 H24 N2 O2
• Calculated formula: C22 H24 N2 O2
• SMILES: C1CCN2C=C([C@H]([C@@H]([C@@]12C)N(=O)=O)c1ccccc1)Cc1ccccc1
• Title of publication: A highly efficient asymmetric synthesis of quaternary stereocenter-containing indolizidine and quinolizidine alkaloids using aldehydes, nitroalkenes, and unactivated cyclic ketimines
• Authors of publication: Yu Tan; Yong-Jian Chen; Hua Lin; Han-Lin Luan; Xing-Wen Sun; Xiao-Di Yang; Guo-Qiang Lin
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15913
• a: 8.435 ± 0.004 Å
• b: 11.876 ± 0.005 Å
• c: 19.47 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1950.4 ± 1.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No