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Information card for entry 2019022
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| Coordinates | 2019022.cif |
|---|---|
| Structure factors | 2019022.hkl |
| Original IUCr paper | HTML |
| Chemical name | Cysteamine tartrate(1-) monohydrate |
|---|---|
| Formula | C6 H15 N O7 S |
| Calculated formula | C6 H15 N O7 S |
| SMILES | OC(=O)[C@H](O)[C@@H](O)C(=O)[O-].SCC[NH3+].O |
| Title of publication | Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid |
| Authors of publication | Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | 658 - 664 |
| a | 7.063 ± 0.0002 Å |
| b | 10.3833 ± 0.0005 Å |
| c | 14.8591 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1089.73 ± 0.08 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (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 2/01/90. |
2019022.cif 2019022.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. |
2019022.cif 2019022.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. |
2019022.cif 2019022.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019022.cif 2019022.hkl |
| 86825 | 2013-07-11 | cif/ Adding structures of 2019022, 2019023, 2019024 via cif-deposit CGI script. |
2019022.cif |
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Users of the data should acknowledge the original authors of the
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