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Information card for entry 7115946
Preview
Coordinates | 7115946.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H17 Cl2 N O3 |
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Calculated formula | C23 H17 Cl2 N O3 |
SMILES | c1(ccc(cc1)Cl)C(=O)NC(=O)C(CC(=O)c1ccccc1)c1ccc(cc1)Cl |
Title of publication | Double oxidation of alpha-(alkylideneamino)nitriles to imides by molecular oxygen under mild basic conditions |
Authors of publication | Yu Zhang; Ling Pan; Yunjia Zou; Xianxiu Xu; Qun Liu |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 14334 |
a | 9.8294 ± 0.0019 Å |
b | 10.05 ± 0.0019 Å |
c | 12.169 ± 0.002 Å |
α | 114.273 ± 0.001° |
β | 97.114 ± 0.002° |
γ | 105.645 ± 0.001° |
Cell volume | 1016.8 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.06 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1065 |
Weighted residual factors for all reflections included in the refinement | 0.1147 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 7115945 |
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/7115946.html
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