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Information card for entry 3500093
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| Coordinates | 3500093.cif |
|---|---|
| Structure factors | 3500093.hkl |
| Common name | tributylbenzylammonium bromide |
|---|---|
| Chemical name | N-benzyl-N,N-dibutylbutan-1-aminium bromide |
| Formula | C19 H34 Br N |
| Calculated formula | C19 H34 Br N |
| Title of publication | Tributylbenzylammonium bromide |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 11.5313 ± 0.0009 Å |
| b | 13.1325 ± 0.001 Å |
| c | 14.2336 ± 0.0011 Å |
| α | 82.52 ± 0.004° |
| β | 67.38 ± 0.003° |
| γ | 80.662 ± 0.003° |
| Cell volume | 1957.8 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.137 |
| Weighted residual factors for all reflections included in the refinement | 0.1414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247089 (current) | 2020-01-22 | cif/ hkl/ Adding structures of 3500093 via cif-deposit CGI script. |
3500093.cif 3500093.hkl |
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