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Information card for entry 3500079
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| Coordinates | 3500079.cif |
|---|
| Common name | tetradecylammonium bromide |
|---|---|
| Formula | C40 H84 Br N |
| Calculated formula | C40 H84 Br N |
| Title of publication | Tetradecylammonium Bromide |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2019 |
| a | 13.5933 ± 0.0007 Å |
| b | 13.7213 ± 0.0007 Å |
| c | 44.838 ± 0.002 Å |
| α | 90° |
| β | 90.119 ± 0.002° |
| γ | 90° |
| Cell volume | 8363.1 ± 0.7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0332 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0915 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287889 (current) | 2023-11-30 | cif/ Corrected the '_chemical_name_common' data name in entries 3500079, 4313665, 7056232, 7702839. |
3500079.cif |
| 245317 | 2019-12-18 | cif/ Updating files of 3500079 Original log message: Name/Title Added |
3500079.cif |
| 245262 | 2019-12-17 | cif/ Adding structures of 3500079 via cif-deposit CGI script. |
3500079.cif |
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Users of the data should acknowledge the original authors of the
structural data.