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Information card for entry 7064129
Preview
| Coordinates | 7064129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H8 N4 O4 |
|---|---|
| Calculated formula | C9 H8 N4 O4 |
| Title of publication | Single-step nitration of N,N′-Bispyrrolylmethane: Polynitro Derivatives as Insensitive Energetic Materials |
| Authors of publication | Panda, Pradeepta; Shanmugapriya, V. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 7.4622 ± 0.0008 Å |
| b | 10.6054 ± 0.0012 Å |
| c | 13.7873 ± 0.0016 Å |
| α | 71.77 ± 0.004° |
| β | 76.216 ± 0.004° |
| γ | 79.495 ± 0.003° |
| Cell volume | 999.6 ± 0.2 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 | 0.0688 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1374 |
| Weighted residual factors for all reflections included in the refinement | 0.1456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303396 (current) | 2025-11-25 | cif/ Adding structures of 7064122, 7064123, 7064124, 7064125, 7064126, 7064127, 7064128, 7064129, 7064130 via cif-deposit CGI script. |
7064129.cif |
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Users of the data should acknowledge the original authors of the
structural data.