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Information card for entry 3500019
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| Coordinates | 3500019.cif |
|---|---|
| Structure factors | 3500019.hkl |
| Chemical name | Benzenemethanaminium, N,N,N-trimethyl-, chloride (1:1) |
|---|---|
| Formula | C10 H16 Cl N |
| Calculated formula | C10 H16 Cl N |
| Title of publication | N,N,N-trimethyl-1-phenylmethanaminium chloride |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2019 |
| a | 17.8999 ± 0.0005 Å |
| b | 6.6415 ± 0.0002 Å |
| c | 18.0718 ± 0.0005 Å |
| α | 90° |
| β | 99.2688 ± 0.0012° |
| γ | 90° |
| Cell volume | 2120.36 ± 0.11 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| 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 | 0.0353 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.0962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245327 (current) | 2019-12-18 | cif/ hkl/ Updating files of 3500019 Original log message: Removed Extra Question Mark from Chemical name |
3500019.cif 3500019.hkl |
| 181860 | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 7. |
3500019.cif 3500019.hkl |
| 180707 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 3. |
3500019.cif 3500019.hkl |
| 176722 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 3. |
3500019.cif 3500019.hkl |
| 125481 | 2014-10-16 | cif/ hkl/ Adding structures of 3500019 via cif-deposit CGI script. |
3500019.cif 3500019.hkl |
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Users of the data should acknowledge the original authors of the
structural data.