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Information card for entry 1553489
Preview
Coordinates | 1553489.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H11 I N2 O |
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Calculated formula | C18 H11 I N2 O |
SMILES | c1cccc2c1cc(cc2)C(=O)c1nc(c2ccccn12)I |
Title of publication | Iodine-promoted sequential dual oxidative Csp3‒H amination/Csp3‒H iodination reactions: efficient synthesis of 1-iodoimidazo[1,5-a]pyridines |
Authors of publication | Wu, Yan-Dong; Geng, Xiao; Gao, Qinghe; Zhang, Jingjing; Wu, Xia; Wu, An-Xin |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2016 |
Journal volume | 3 |
Journal issue | 11 |
Pages of publication | 1430 |
a | 7.504 ± 0.011 Å |
b | 8.467 ± 0.012 Å |
c | 13.179 ± 0.018 Å |
α | 95.607 ± 0.018° |
β | 102.6 ± 0.02° |
γ | 110.95 ± 0.02° |
Cell volume | 748.8 ± 1.8 Å3 |
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 | 0.0428 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1136 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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