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Information card for entry 2018904
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| Coordinates | 2018904.cif |
|---|---|
| Structure factors | 2018904.hkl |
| Original IUCr paper | HTML |
| Common name | (±)-ephedrine tetrachloaurate(III) |
|---|---|
| Chemical name | <i>D</i>,<i>L</i>-(1-Hydroxy-1-phenylpropan-2-yl)(methyl)azanium tetrachloridoaurate(III) |
| Formula | C10 H16 Au Cl4 N O |
| Calculated formula | C10 H16 Au Cl4 N O |
| SMILES | [Au](Cl)(Cl)(Cl)[Cl-].OC(C([NH2+]C)C)c1ccccc1 |
| Title of publication | Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine |
| Authors of publication | Wood, Matthew R.; Lalancette, Roger A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | 388 - 393 |
| a | 7.7537 ± 0.0004 Å |
| b | 25.0264 ± 0.0013 Å |
| c | 15.4587 ± 0.0008 Å |
| α | 90° |
| β | 93.92 ± 0.002° |
| γ | 90° |
| Cell volume | 2992.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/89. |
2018904.cif 2018904.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018904.cif 2018904.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018904.cif 2018904.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018904.cif 2018904.hkl |
| 85345 | 2013-05-07 | cif/ Adding structures of 2018902, 2018903, 2018904 via cif-deposit CGI script. |
2018904.cif |
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Users of the data should acknowledge the original authors of the
structural data.