Information card for entry 4032195

Structure parameters

• Formula: C18 H14 Cl N O3
• Calculated formula: C18 H14 Cl N O3
• SMILES: Clc1ccc(C(=O)c2n3ccc(cc3c(C)c2)C(=O)OC)cc1
• Title of publication: CuBr-Catalyzed Aerobic Decarboxylative Cycloaddition for the Synthesis of Indolizines under Solvent-Free Conditions.
• Authors of publication: Wang, Wenhui; Han, Junwen; Sun, Jinwei; Liu, Yun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 6
• Pages of publication: 2835 - 2842
• a: 7.517 ± 0.003 Å
• b: 9.801 ± 0.004 Å
• c: 11.65 ± 0.005 Å
• α: 113.325 ± 0.007°
• β: 97.507 ± 0.007°
• γ: 97.595 ± 0.007°
• Cell volume: 765.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No