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Information card for entry 7708241
Preview
| Coordinates | 7708241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H6 N10 O |
|---|---|
| Calculated formula | C5 H6 N10 O |
| SMILES | o1nc(c2n(N)c3n(n2)c(nn3)N)c(N)n1 |
| Title of publication | Synthesis of nitrogen-rich and thermostable energetic materials based on hetarenecarboxylic acids |
| Authors of publication | Lei, Caijin; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 6.8113 ± 0.0009 Å |
| b | 8.2072 ± 0.001 Å |
| c | 8.5119 ± 0.0012 Å |
| α | 108.619 ± 0.005° |
| β | 109.314 ± 0.005° |
| γ | 92.75 ± 0.005° |
| Cell volume | 419.23 ± 0.1 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 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 | 0.0782 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269052 (current) | 2021-09-09 | cif/ Adding structures of 7708240, 7708241, 7708242 via cif-deposit CGI script. |
7708241.cif |
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Users of the data should acknowledge the original authors of the
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