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Information card for entry 7241940
Preview
| Coordinates | 7241940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H36 Cl N O3 |
|---|---|
| Calculated formula | C16 H36 Cl N O3 |
| Title of publication | Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications |
| Authors of publication | Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G. |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 73 |
| Pages of publication | 44973 - 44980 |
| a | 12.0476 ± 0.0016 Å |
| b | 24.535 ± 0.003 Å |
| c | 14.501 ± 0.002 Å |
| α | 90° |
| β | 114.01 ± 0.002° |
| γ | 90° |
| Cell volume | 3915.4 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241940.cif |
| 260114 | 2020-12-23 | cif/ Adding structures of 7241937, 7241938, 7241939, 7241940 via cif-deposit CGI script. |
7241940.cif |
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Users of the data should acknowledge the original authors of the
structural data.