Information card for entry 1545952

Structure parameters

• Formula: C26 H38 N4 O4 Si
• Calculated formula: C26 H38 N4 O4 Si
• SMILES: [Si](OCC[C@@]12c3c(N([C@@]41O[C@@H](C[C@@H]4N=N#N)C2=C)C(=O)OC(C)(C)C)cccc3)(C)(C)C(C)(C)C.[Si](OCC[C@]12c3c(N([C@]41O[C@H](C[C@H]4N=N#N)C2=C)C(=O)OC(C)(C)C)cccc3)(C)(C)C(C)(C)C
• Title of publication: Asymmetric Total Synthesis of (-)-Aspidophylline A.
• Authors of publication: Wang, Taimin; Duan, Xiaoguang; Zhao, Hua; Zhai, Shengxian; Tao, Cheng; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1650 - 1653
• a: 26.0702 ± 0.0018 Å
• b: 10.9823 ± 0.0007 Å
• c: 21.191 ± 0.0012 Å
• α: 90°
• β: 108.083 ± 0.006°
• γ: 90°
• Cell volume: 5767.5 ± 0.7 ų
• Cell temperature: 290.9 ± 0.1 K
• Ambient diffraction temperature: 290.9 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No