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Information card for entry 7158038
Preview
Coordinates | 7158038.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H11 Br N2 O |
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Calculated formula | C18 H11 Br N2 O |
Title of publication | Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides. |
Authors of publication | Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 19 |
Pages of publication | 4268 - 4271 |
a | 11.7732 ± 0.0005 Å |
b | 7.7539 ± 0.0003 Å |
c | 15.9751 ± 0.0007 Å |
α | 90° |
β | 104.728 ± 0.004° |
γ | 90° |
Cell volume | 1410.42 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0943 |
Residual factor for significantly intense reflections | 0.0845 |
Weighted residual factors for significantly intense reflections | 0.2077 |
Weighted residual factors for all reflections included in the refinement | 0.2305 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7158038.html
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structural data.