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Information card for entry 4035157
Preview
Coordinates | 4035157.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H8 Cl2 N2 O6 |
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Calculated formula | C10 H8 Cl2 N2 O6 |
SMILES | Cl[C@@H](COC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)CCl |
Title of publication | Synthesis of Vicinal Dichlorides via Activation of Aliphatic Terminal Epoxides with Triphosgene and Pyridine. |
Authors of publication | Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 6 |
Pages of publication | 3367 - 3377 |
a | 5.194 ± 0.0002 Å |
b | 10.453 ± 0.0005 Å |
c | 23.0032 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1248.91 ± 0.1 Å3 |
Cell temperature | 100 ± 0.5 K |
Ambient diffraction temperature | 100 ± 0.5 K |
Number of distinct elements | 5 |
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 | 0.0418 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0663 |
Weighted residual factors for all reflections included in the refinement | 0.0695 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4035157.html
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Users of the data should acknowledge the original authors of the
structural data.