Information card for entry 1546280

Structure parameters

• Formula: C23 H20 N2 O2
• Calculated formula: C23 H20 N2 O2
• SMILES: c1(c(c(c2ccccc2)n2ccccc12)Cc1ncccc1)C(=O)OCC
• Title of publication: Direct Oxidative Cleavage of Multiple Csp(3)-H Bonds and a C-C Bond in 2-(Pyridin-2-yl)acetate Derivatives: Formal [3 + 1 + 1] Synthesis of 3-(Pyridin-2-yl)indolizine Skeletons.
• Authors of publication: Wu, Xia; Zhao, Peng; Geng, Xiao; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 3319 - 3322
• a: 9.675 ± 0.004 Å
• b: 22.388 ± 0.008 Å
• c: 9.675 ± 0.004 Å
• α: 90°
• β: 118.2°
• γ: 90°
• Cell volume: 1846.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0848
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No