Information card for entry 7124346

Structure parameters

• Formula: C21 H22 N2 O3
• Calculated formula: C21 H22 N2 O3
• Title of publication: Gold(I)-Catalyzed Pathway-Switchable Tandem Cycloisomerizations to Indolizino[8,7-b]indole and Indolo[2,3-a]quinolizine Derivatives
• Authors of publication: Liu, Chengjun; Sun, Zenghui; Xie, Fukai; Liang, Guoduan; Yang, Lu; Li, Yaqiao; Cheng, Mao-sheng; Lin, Bin; Liu, Yongxiang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.426 ± 0.002 Å
• b: 7.9081 ± 0.0007 Å
• c: 14.0205 ± 0.0016 Å
• α: 90°
• β: 106.829 ± 0.013°
• γ: 90°
• Cell volume: 1849.4 ± 0.4 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0954
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2124
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No