Information card for entry 7158764

Structure parameters

• Formula: C32 H20 Cl N O3
• Calculated formula: C32 H20 Cl N O3
• Title of publication: Organocatalytic Formal [3+3] Cyclization of α-(6-Indolyl) Propargylic Alcohols
• Authors of publication: Yue, Zhibin; Wang, Ziyang; Zhang, Yunfeng; Chen, Xuling; Li, Pengfei; Li, Wenjun
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 14.9392 ± 0.0006 Å
• b: 10.0969 ± 0.0004 Å
• c: 17.2076 ± 0.0007 Å
• α: 90°
• β: 111.715 ± 0.001°
• γ: 90°
• Cell volume: 2411.39 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1033
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No