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Information card for entry 4037314
Preview
Coordinates | 4037314.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H17 N O |
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Calculated formula | C19 H17 N O |
SMILES | c1c(cc2c(C(=O)c3ccccc3)c(C3CC3)[nH]c2c1)C |
Title of publication | Iodine/Copper Iodide-Mediated C-H Functionalization: Synthesis of Imidazo[1,2-a]pyridines and Indoles from N-Aryl Enamines. |
Authors of publication | Liu, Jing; Wei, Wei; Zhao, Ting; Liu, Xuanyu; Wu, Jie; Yu, Wenquan; Chang, Junbiao |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 19 |
Pages of publication | 9326 - 9336 |
a | 8.6368 ± 0.0002 Å |
b | 12.3637 ± 0.0003 Å |
c | 27.5206 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2938.73 ± 0.12 Å3 |
Cell temperature | 270 ± 2 K |
Ambient diffraction temperature | 270 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0523 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1187 |
Weighted residual factors for all reflections included in the refinement | 0.1237 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4037314.html
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