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Information card for entry 4028574
Preview
Coordinates | 4028574.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H17 Br N2 O |
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Calculated formula | C19 H17 Br N2 O |
SMILES | Brc1ccc2nc(c3c(c2c1)[C@H]1C[C@@H]3[C@@H]2[C@H]1C=CC2)C(=O)NC.Brc1ccc2nc(c3c(c2c1)[C@@H]1C[C@H]3[C@H]2[C@@H]1C=CC2)C(=O)NC |
Title of publication | Catalytic sp3C-H Oxidation of Peptides and Their Analogues by Radical Cation Salts: From Glycine Amides to Quinolines |
Authors of publication | Xiaodong Jia; Yaxin Wang; Fangfang Peng; Congde Huo; Liangliang Yu; Jing Liu; Xicun Wang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 9450 - 9456 |
a | 7.5169 ± 0.0013 Å |
b | 16.51 ± 0.003 Å |
c | 13.022 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1616.1 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0363 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0863 |
Weighted residual factors for all reflections included in the refinement | 0.0904 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4028574.html
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