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Information card for entry 7249684
Preview
| Coordinates | 7249684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H34 N20 O14 S |
|---|---|
| Calculated formula | C16 H34 N20 O14 S |
| Title of publication | A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity |
| Authors of publication | Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 3 |
| Pages of publication | 311 - 324 |
| a | 20.3798 ± 0.0006 Å |
| b | 6.49 ± 0.0002 Å |
| c | 25.5179 ± 0.0007 Å |
| α | 90° |
| β | 107.008 ± 0.002° |
| γ | 90° |
| Cell volume | 3227.51 ± 0.17 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298226 (current) | 2025-03-04 | cif/ Updating files of 7249684, 7249685, 7249686 Original log message: Adding full bibliography for 7249684--7249686.cif. |
7249684.cif |
| 296833 | 2024-12-11 | cif/ Adding structures of 7249684, 7249685, 7249686 via cif-deposit CGI script. |
7249684.cif |
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Users of the data should acknowledge the original authors of the
structural data.