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Information card for entry 7153778
Preview
Coordinates | 7153778.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H8 Br N2 |
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Calculated formula | C13 H8 Br N2 |
SMILES | Brc1cc2c(c3ccncc3)c[nH]c2cc1 |
Title of publication | Metal-free (Boc)2O-mediated C4-selective direct indolation of pyridines using TEMPO. |
Authors of publication | Qin, Wen-Bing; Zhu, Jia-Yi; Kong, Yu-Bo; Bao, Yun-Hong; Chen, Zheng-Wang; Liu, Liang-Xian |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 24 |
Pages of publication | 4252 - 4259 |
a | 4.8956 ± 0.0002 Å |
b | 18.524 ± 0.0006 Å |
c | 12.7557 ± 0.0004 Å |
α | 90° |
β | 100.433 ± 0.002° |
γ | 90° |
Cell volume | 1137.64 ± 0.07 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.12 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.1088 |
Weighted residual factors for all reflections included in the refinement | 0.1351 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
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/7153778.html
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Users of the data should acknowledge the original authors of the
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