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Information card for entry 4028477
Preview
Coordinates | 4028477.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H12 Br2 Cl2 N2 Sn |
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Calculated formula | C13 H12 Br2 Cl2 N2 Sn |
SMILES | [Sn](c1c(c(Br)cnc1Cl)c1cc(Cl)ncc1Br)(C)(C)C |
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 | 9.36 ± 0.0001 Å |
b | 14.3708 ± 0.0001 Å |
c | 26.1227 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3513.78 ± 0.05 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0303 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0796 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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