Information card for entry 7229614
| Formula |
C16 H15 N3 O5 |
| Calculated formula |
C16 H15 N3 O5 |
| SMILES |
c1ccccc1C(=O)Nc1ccccc1C(=O)NCCON(=O)=O |
| Title of publication |
Highly efficient synthesis of β-nitrate ester carboxamides through the ring-opening of 2-oxazolines |
| Authors of publication |
Qiao, Kai; Yuan, Xin; Wan, Li; Zheng, Mingwei; Zhang, Dong; Fan, Bingbing; Di, Zhechen; Fang, Zheng; Guo, Kai |
| Journal of publication |
Green Chemistry |
| Year of publication |
2017 |
| a |
7.4889 ± 0.0007 Å |
| b |
8.9633 ± 0.0008 Å |
| c |
12.2743 ± 0.0011 Å |
| α |
98.953 ± 0.003° |
| β |
106.482 ± 0.003° |
| γ |
98.679 ± 0.003° |
| Cell volume |
763.71 ± 0.12 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0803 |
| Residual factor for significantly intense reflections |
0.0461 |
| Weighted residual factors for significantly intense reflections |
0.0917 |
| Weighted residual factors for all reflections included in the refinement |
0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.051 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7229614.html
