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Information card for entry 7134829
Preview
| Coordinates | 7134829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H10 N8 O |
|---|---|
| Calculated formula | C6 H10 N8 O |
| Title of publication | Tetraamino-Driven Hydrogen-Bonding Networks: A Selective Self-Assembly Paradigm for Energetic Materials |
| Authors of publication | Wang, Yaxi; Liu, Junliang; He, Jinxuan; Ren, Xiaoting; Hu, Lu; Pang, Si-Ping |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 3.6169 ± 0.0006 Å |
| b | 19.782 ± 0.003 Å |
| c | 11.752 ± 0.002 Å |
| α | 90° |
| β | 94.717 ± 0.007° |
| γ | 90° |
| Cell volume | 838 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1288 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301249 (current) | 2025-07-15 | cif/ Adding structures of 7134829, 7134830, 7134831 via cif-deposit CGI script. |
7134829.cif |
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Users of the data should acknowledge the original authors of the
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