Information card for entry 1563749

Structure parameters

• Formula: C29 H37 N O4 Si
• Calculated formula: C29 H37 N O4 Si
• SMILES: Cc1cc2c(c(n1)OC)c(c1c(c2)C[C@H](C1=O)[C@H](c1ccc(cc1)C)O[Si](C)(C)C(C)(C)C)OC.Cc1cc2c(c(n1)OC)c(c1c(c2)C[C@@H](C1=O)[C@@H](c1ccc(cc1)C)O[Si](C)(C)C(C)(C)C)OC
• Title of publication: Assembly of Multicyclic Isoquinoline Scaffolds from Pyridines: Formal Total Synthesis of Fredericamycin A
• Authors of publication: Wang, Fang-Xin; Yan, Jialei; Liu, Zhixin; Zhu, Tingshun; Liu, Yingguo; Ren, Shichao; Lv, Wen-Xin; Jin, Zhichao; Chi, Yonggui Robin
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 12.9594 ± 0.0004 Å
• b: 15.028 ± 0.0004 Å
• c: 28.0269 ± 0.0011 Å
• α: 90°
• β: 95.99 ± 0.002°
• γ: 90°
• Cell volume: 5428.5 ± 0.3 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 2 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: 0.1052
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No