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Information card for entry 4029955
Preview
Coordinates | 4029955.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H17 N3 O3 |
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Calculated formula | C16 H17 N3 O3 |
SMILES | N(N(C(=O)C)Cc1ccccc1)(=O)=NOCc1ccccc1 |
Title of publication | Direct reaction of amides with nitric oxide to form diazeniumdiolates. |
Authors of publication | Holland, Ryan J.; Klose, John R.; Deschamps, Jeffrey R.; Cao, Zhao; Keefer, Larry K.; Saavedra, Joseph E. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 19 |
Pages of publication | 9389 - 9393 |
a | 5.429 ± 0.004 Å |
b | 8.743 ± 0.005 Å |
c | 16.342 ± 0.011 Å |
α | 96.3 ± 0.03° |
β | 96.6 ± 0.03° |
γ | 92.33 ± 0.03° |
Cell volume | 764.8 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2446 |
Residual factor for significantly intense reflections | 0.0772 |
Weighted residual factors for significantly intense reflections | 0.1677 |
Weighted residual factors for all reflections included in the refinement | 0.2435 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.703 |
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/4029955.html
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Users of the data should acknowledge the original authors of the
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