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Information card for entry 4029955
Preview
| Coordinates | 4029955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 N3 O3 |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178478 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/99. |
4029955.cif |
| 124811 | 2014-10-06 | cif/ Updating files of 4029955, 4029956 Original log message: Adding full bibliography for 4029955--4029956.cif. |
4029955.cif |
| 124125 | 2014-09-23 | cif/ Adding structures of 4029955 via cif-deposit CGI script. |
4029955.cif |
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Users of the data should acknowledge the original authors of the
structural data.