Information card for entry 7118052

Structure parameters

• Formula: C116 H128 Cl4 N12 O12
• Calculated formula: C116 H122 Cl4 N12 O12
• Title of publication: The asymmetric synthesis of polycyclic 3-spirooxindole alkaloids via the cascade reaction of 2-isocyanoethylindoles
• Authors of publication: Zhao, Xiaohu; Liu, Xiaohua; Xiong, Qian; Mei, Hongjiang; Ma, Baiwei; Lin, Lili; Feng, Xiaoming
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 89
• Pages of publication: 16076 - 16079
• a: 9.2218 ± 0.0002 Å
• b: 27.5508 ± 0.0006 Å
• c: 24.8963 ± 0.0005 Å
• α: 90°
• β: 92.701 ± 0.002°
• γ: 90°
• Cell volume: 6318.3 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7118020
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No