Information card for entry 7124509

Structure parameters

• Formula: C30 H21 N O3
• Calculated formula: C30 H21 N O3
• Title of publication: Completely regioselective insertion of unsymmetrical alkynes into electron-deficient alkenes for the synthesis of new pentacyclic indoles
• Authors of publication: Jiang, Bo; Chen, Ke; Xu, Ting; Liang , Jian; Zhou, Meng; Zhang, Jie; Hao, Wen-Juan; Wang, Jianyi; Tu, Shu-Jiang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.9309 ± 0.0008 Å
• b: 15.243 ± 0.0013 Å
• c: 17.0309 ± 0.0015 Å
• α: 90°
• β: 101.808 ± 0.003°
• γ: 90°
• Cell volume: 2269.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No