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Information card for entry 4028474
Preview
Coordinates | 4028474.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H3 Br2 Cl2 I N2 |
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Calculated formula | C10 H3 Br2 Cl2 I N2 |
SMILES | Ic1c(c2cc(Cl)ncc2Br)c(Br)cnc1Cl |
Title of publication | Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines |
Authors of publication | Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 7683 - 7689 |
a | 6.8899 ± 0.0001 Å |
b | 9.0638 ± 0.0001 Å |
c | 11.7741 ± 0.0002 Å |
α | 90.773 ± 0.001° |
β | 101.424 ± 0.001° |
γ | 111.34 ± 0.001° |
Cell volume | 668.341 ± 0.018 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0289 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0711 |
Weighted residual factors for all reflections included in the refinement | 0.0718 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.7107 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/4028474.html
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Users of the data should acknowledge the original authors of the
structural data.