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Information card for entry 7040257
Preview
| Coordinates | 7040257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 14 |
|---|---|
| Chemical name | 14 |
| Formula | C11 H10 N6 O11 |
| Calculated formula | C11 H10 N6 O11 |
| Title of publication | Electrophilic iodination: a gateway to high iodine compounds and energetic materials. |
| Authors of publication | Chand, Deepak; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 35 |
| Pages of publication | 13827 - 13833 |
| a | 7.8304 ± 0.0007 Å |
| b | 9.3182 ± 0.0008 Å |
| c | 12.2176 ± 0.0011 Å |
| α | 102.459 ± 0.003° |
| β | 104.03 ± 0.003° |
| γ | 100.776 ± 0.003° |
| Cell volume | 817.12 ± 0.13 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 | 0.0536 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7040257.cif |
| 186383 | 2016-09-10 | cif/ Updating files of 7040256, 7040257 Original log message: Adding full bibliography for 7040256--7040257.cif. |
7040257.cif |
| 185723 | 2016-08-10 | cif/ Adding structures of 7040256, 7040257 via cif-deposit CGI script. |
7040257.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.