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Information card for entry 7157874
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Coordinates | 7157874.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H16 Br N O2 |
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Calculated formula | C18 H16 Br N O2 |
Title of publication | Radical bromination-induced <i>ipso</i> cyclization-<i>ortho</i> cyclization sequence of <i>N</i>-hydroxylethyl-<i>N</i>-arylpropiolamides. |
Authors of publication | Wang, Yu-Chao; Huang, Keke; Lai, Xiaojing; Shi, Zhongning; Liu, Jin-Biao; Qiu, Guanyinsheng |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 9 |
Pages of publication | 1940 - 1944 |
a | 8.9145 ± 0.0007 Å |
b | 9.9325 ± 0.0008 Å |
c | 10.1186 ± 0.0008 Å |
α | 87.116 ± 0.006° |
β | 69.183 ± 0.007° |
γ | 70.272 ± 0.007° |
Cell volume | 785.82 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1027 |
Residual factor for significantly intense reflections | 0.0644 |
Weighted residual factors for significantly intense reflections | 0.1384 |
Weighted residual factors for all reflections included in the refinement | 0.158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7157874.html
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Users of the data should acknowledge the original authors of the
structural data.