Information card for entry 7235353
| Formula |
C14 H18 N16 O17 |
| Calculated formula |
C14 H18 N16 O17 |
| Title of publication |
A novel N–N bond cleavage in 1,5-diaminotetrazole: synthesis and characterization of 5-picrylamino-1,2,3,4-tetrazole (PAT) |
| Authors of publication |
Tang, Yongxing; Yang, Hongwei; Ju, Xuehai; Huang, Hui; Lu, Chunxu; Cheng, Guangbin |
| Journal of publication |
Journal of Materials Chemistry A |
| Year of publication |
2014 |
| Journal volume |
2 |
| Journal issue |
12 |
| Pages of publication |
4127 |
| a |
18.6978 ± 0.0011 Å |
| b |
12.2385 ± 0.00013 Å |
| c |
13.6407 ± 0.0012 Å |
| α |
90° |
| β |
110.702 ± 0.003° |
| γ |
90° |
| Cell volume |
2919.9 ± 0.3 Å3 |
| Cell temperature |
291 ± 2 K |
| Ambient diffraction temperature |
291 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0692 |
| Residual factor for significantly intense reflections |
0.0564 |
| Weighted residual factors for significantly intense reflections |
0.1416 |
| Weighted residual factors for all reflections included in the refinement |
0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.076 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7235353.html
