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Information card for entry 2230436
Preview
| Coordinates | 2230436.cif |
|---|---|
| Structure factors | 2230436.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | Bis(tetraethylammonium) bis(hydrogen L-tartrate) L-tartaric acid monohydrate |
|---|---|
| Formula | C28 H58 N2 O19 |
| Calculated formula | C28 H58 N2 O19 |
| SMILES | [O-]C(=O)[C@@H](O)[C@H](O)C(=O)O.[O-]C(=O)[C@@H](O)[C@H](O)C(=O)O.O=C(O)[C@@H](O)[C@H](O)C(=O)O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O |
| Title of publication | Bis(tetraethylammonium) bis(hydrogen <small>L</small>-tartrate) <small>L</small>-tartaric acid monohydrate |
| Authors of publication | Rajalakshmi, M.; Indirajith, R.; Gopalakrishnan, R.; Ramamurthi, K.; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | o1315 - o1316 |
| a | 7.5725 ± 0.0004 Å |
| b | 27.7907 ± 0.0013 Å |
| c | 8.762 ± 0.0006 Å |
| α | 90° |
| β | 99.884 ± 0.005° |
| γ | 90° |
| Cell volume | 1816.55 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.0639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2230436.cif 2230436.hkl |
| 181226 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/04. |
2230436.cif 2230436.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230436.cif 2230436.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230436.cif 2230436.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230436.cif 2230436.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230436.cif 2230436.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230436.cif 2230436.hkl |
| 22421 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230436 via cif-deposit CGI script. |
2230436.cif |
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Users of the data should acknowledge the original authors of the
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