Information card for entry 7154608
| Formula |
C20 H14 N6 O4 |
| Calculated formula |
C20 H14 N6 O4 |
| SMILES |
O=C1c2n(nnc2C(=O)c2nnn(c12)c1ccc(OC)cc1)c1ccc(OC)cc1 |
| Title of publication |
Metal-free cycloaddition to synthesize naphtho[2,3-d][1,2,3]triazole-4,9-diones. |
| Authors of publication |
Chen, Ping-Fan; Kuo, Kung-Kai; Vandavasi, Jaya Kishore; Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Wang, Jeh-Jeng |
| Journal of publication |
Organic & biomolecular chemistry |
| Year of publication |
2015 |
| Journal volume |
13 |
| Journal issue |
35 |
| Pages of publication |
9261 - 9266 |
| a |
17.0052 ± 0.0007 Å |
| b |
17.3045 ± 0.0008 Å |
| c |
19.3461 ± 0.0008 Å |
| α |
74.882 ± 0.004° |
| β |
64.37 ± 0.004° |
| γ |
64.823 ± 0.004° |
| Cell volume |
4624.5 ± 0.4 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 |
0.0904 |
| Residual factor for significantly intense reflections |
0.053 |
| Weighted residual factors for significantly intense reflections |
0.1011 |
| Weighted residual factors for all reflections included in the refinement |
0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.002 |
| Diffraction radiation probe |
x-ray |
| 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/7154608.html
