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Information card for entry 4030918
Preview
Coordinates | 4030918.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H16 Cl N3 O4 |
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Calculated formula | C16 H16 Cl N3 O4 |
SMILES | Cl[C@H]1[C@H](n2nnc(c2C(=O)OC)C(=O)OC)CCc2c1cccc2.Cl[C@@H]1[C@@H](n2nnc(c2C(=O)OC)C(=O)OC)CCc2c1cccc2 |
Title of publication | Taming chlorine azide: access to 1,2-azidochlorides from alkenes. |
Authors of publication | Valiulin, Roman A.; Mamidyala, Sreeman; Finn, M. G. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 5 |
Pages of publication | 2740 - 2755 |
a | 8.72 ± 0.003 Å |
b | 23.945 ± 0.008 Å |
c | 8.704 ± 0.003 Å |
α | 90° |
β | 112.823 ± 0.005° |
γ | 90° |
Cell volume | 1675.1 ± 1 Å3 |
Cell temperature | 252 K |
Ambient diffraction temperature | 252 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 | 0.0868 |
Residual factor for significantly intense reflections | 0.078 |
Weighted residual factors for significantly intense reflections | 0.2064 |
Weighted residual factors for all reflections included in the refinement | 0.2117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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