Information card for entry 4128144

Structure parameters

• Formula: C29 H38 N2 O3 Si
• Calculated formula: C29 H38 N2 O3 Si
• SMILES: [Si](C[C@@]1(O)[C@@]2(c3[nH]c4ccccc4c3[C@@H]([C@]1(CN(C2)Cc1ccccc1)C(=O)OC)C)C)(C)(C)C.[Si](C[C@]1(O)[C@]2(c3[nH]c4ccccc4c3[C@H]([C@@]1(CN(C2)Cc1ccccc1)C(=O)OC)C)C)(C)(C)C
• Title of publication: Enantioselective Total Synthesis of (+)-Arboridinine.
• Authors of publication: Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 17
• Pages of publication: 7147 - 7154
• a: 13.567 ± 0.005 Å
• b: 21.132 ± 0.008 Å
• c: 10.077 ± 0.004 Å
• α: 90°
• β: 107.266 ± 0.006°
• γ: 90°
• Cell volume: 2758.9 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No