Information card for entry 1568720

Structure parameters

• Formula: C27 H26 N2 O2
• Calculated formula: C27 H26 N2 O2
• Title of publication: Enantio- and diastereodivergent synthesis of fused indolizines enabled by synergistic Cu/Ir catalysis.
• Authors of publication: Zhu, Bing-Ke; Xu, Hui; Xiao, Lu; Chang, Xin; Wei, Liang; Teng, Huailong; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 4134 - 4142
• a: 6.94728 ± 0.00004 Å
• b: 13.79687 ± 0.00007 Å
• c: 22.55057 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2161.49 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No