Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7237134
Preview
| Coordinates | 7237134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H4 N8 O6 |
|---|---|
| Calculated formula | C6 H4 N8 O6 |
| Title of publication | Boosting energetic performance by trimerizing furoxan |
| Authors of publication | He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 20 |
| Pages of publication | 9391 |
| a | 9.5817 ± 0.001 Å |
| b | 10.2973 ± 0.0011 Å |
| c | 10.5303 ± 0.0011 Å |
| α | 90° |
| β | 97.562 ± 0.003° |
| γ | 90° |
| Cell volume | 1029.94 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0904 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| 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. |
7237134.cif |
| 237442 | 2019-11-24 | cif/ Adding structures of 7237134, 7237135 via cif-deposit CGI script. |
7237134.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.