Information card for entry 4031133

Structure parameters

• Formula: C24 H19 N O3
• Calculated formula: C24 H19 N O3
• SMILES: O(C(=O)c1c2n(c(C(=O)c3ccccc3)c1c1ccccc1)cccc2)CC
• Title of publication: Synthesis of Indolizines through Oxidative Linkage of C-C and C-N Bonds from 2-Pyridylacetates.
• Authors of publication: Chandra Mohan, Darapaneni; Ravi, Chitrakar; Pappula, Venkatanarayana; Adimurthy, Subbarayappa
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 13
• Pages of publication: 6846 - 6855
• a: 12.1682 ± 0.0012 Å
• b: 10.0256 ± 0.001 Å
• c: 17.779 ± 0.0013 Å
• α: 90°
• β: 120.663 ± 0.005°
• γ: 90°
• Cell volume: 1865.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No