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Information card for entry 4030200
Preview
Coordinates | 4030200.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H13 Cl N2 O2 |
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Calculated formula | C19 H13 Cl N2 O2 |
SMILES | c1(ccc(cc1)c1c2c(cc(c1)OC(=O)C)n1c(cccc1)n2)Cl |
Title of publication | Substituent electronic effects govern direct intramolecular C-N cyclization of N-(Biphenyl)pyridin-2-amines induced by hypervalent iodine(III) reagents. |
Authors of publication | Chu, Jean-Ho; Hsu, Wen-Ting; Wu, Yi-Hua; Chiang, Meng-Fan; Hsu, Nan-Hai; Huang, Hao-Ping; Wu, Ming-Jung |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 23 |
Pages of publication | 11395 - 11408 |
a | 24.266 ± 0.017 Å |
b | 5.72 ± 0.004 Å |
c | 13.017 ± 0.01 Å |
α | 90° |
β | 120.428 ± 0.01° |
γ | 90° |
Cell volume | 1558 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.1849 |
Residual factor for significantly intense reflections | 0.0749 |
Weighted residual factors for significantly intense reflections | 0.1801 |
Weighted residual factors for all reflections included in the refinement | 0.2653 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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