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Information card for entry 7132526
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Coordinates | 7132526.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H15 Br N2 O4 |
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Calculated formula | C13 H15 Br N2 O4 |
Title of publication | Solvent-controlled halohydroxylation or C3-C2 coupling of pyridinium salts through an interrupted dearomative reduction. |
Authors of publication | Zhang, Congcong; Chen, Qinhao; Qin, Yunlong; Bu, Zhanwei; Wang, Qilin |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 8 |
Pages of publication | 992 - 995 |
a | 19.5005 ± 0.0019 Å |
b | 7.9603 ± 0.0006 Å |
c | 18.992 ± 0.002 Å |
α | 90° |
β | 110.951 ± 0.013° |
γ | 90° |
Cell volume | 2753.2 ± 0.5 Å3 |
Cell temperature | 220 ± 0.1 K |
Ambient diffraction temperature | 220 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0543 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0771 |
Weighted residual factors for all reflections included in the refinement | 0.0853 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
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/7132526.html
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