Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7232837
Preview
| Coordinates | 7232837.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H12 N26 O4 |
|---|---|
| Calculated formula | C8 H12 N26 O4 |
| Title of publication | From BTO2− to HBTO− insensitive energetic salt: a route to boost energy |
| Authors of publication | Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 25 |
| Pages of publication | 3873 |
| a | 6.4179 ± 0.0005 Å |
| b | 7.4575 ± 0.0005 Å |
| c | 10.8598 ± 0.0008 Å |
| α | 74.881 ± 0.005° |
| β | 74.297 ± 0.005° |
| γ | 88.026 ± 0.006° |
| Cell volume | 482.68 ± 0.06 Å3 |
| Cell temperature | 205 K |
| Ambient diffraction temperature | 205 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 | 0.0902 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1584 |
| Weighted residual factors for all reflections included in the refinement | 0.1748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232837.cif |
| 223616 | 2019-11-07 | cif/ Updating files of 7232837, 7232838 Original log message: Adding full bibliography for 7232837--7232838.cif. |
7232837.cif |
| 215575 | 2019-05-29 | cif/ Adding structures of 7232837, 7232838 via cif-deposit CGI script. |
7232837.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.