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Information card for entry 3500099
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| Coordinates | 3500099.cif |
|---|
| Common name | tetraoctadecylammonium bromide |
|---|---|
| Chemical name | tetraoctadecylazanium bromide |
| Formula | C72 H148 Br N |
| Calculated formula | C72 H148 Br N |
| Title of publication | tetraoctadecylammonium bromide |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 9.2166 ± 0.0007 Å |
| b | 9.386 ± 0.0008 Å |
| c | 40.8259 ± 0.0005 Å |
| α | 84.677 ± 0.005° |
| β | 86.411 ± 0.004° |
| γ | 89.304 ± 0.004° |
| Cell volume | 3509.5 ± 0.4 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 | 0.1057 |
| Residual factor for significantly intense reflections | 0.0834 |
| Weighted residual factors for significantly intense reflections | 0.2288 |
| Weighted residual factors for all reflections included in the refinement | 0.2443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247191 (current) | 2020-01-24 | cif/ Adding structures of 3500099 via cif-deposit CGI script. |
3500099.cif |
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Users of the data should acknowledge the original authors of the
structural data.