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Information card for entry 7225631
Preview
| Coordinates | 7225631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | glycine-DL-tartaric acid (1:1) |
|---|---|
| Chemical name | glycine-DL-tartaric acid (1:1) |
| Formula | C6 H11 N O8 |
| Calculated formula | C6 H11 N O8 |
| SMILES | C(=O)([C@@H]([C@H](C(=O)O)O)O)O.C(=O)(C[NH3+])[O-].C(=O)([C@H]([C@@H](C(=O)O)O)O)O.C(=O)(C[NH3+])[O-] |
| Title of publication | Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study |
| Authors of publication | Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 31 |
| Pages of publication | 5869 |
| a | 4.8011 ± 0.0003 Å |
| b | 9.1664 ± 0.0013 Å |
| c | 18.8557 ± 0.0016 Å |
| α | 99.072 ± 0.009° |
| β | 93.873 ± 0.006° |
| γ | 96.313 ± 0.008° |
| Cell volume | 811.42 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Cell measurement pressure | 1480000 kPa |
| Ambient diffracton pressure | 1010000 kPa |
| 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 | 0.1395 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1306 |
| Weighted residual factors for all reflections included in the refinement | 0.1527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185253 (current) | 2016-08-07 | cif/ Updating files of 7225609, 7225610, 7225611, 7225612, 7225613, 7225614, 7225615, 7225616, 7225617, 7225618, 7225619, 7225620, 7225621, 7225622, 7225623, 7225624, 7225625, 7225626, 7225627, 7225628, 7225629, 7225630, 7225631, 7225632, 7225633, 7225634, 7225635, 7225636, 7225637, 7225638 Original log message: Adding full bibliography for 7225609--7225638.cif. |
7225631.cif |
| 183858 | 2016-06-23 | cif/ Adding structures of 7225609, 7225610, 7225611, 7225612, 7225613, 7225614, 7225615, 7225616, 7225617, 7225618, 7225619, 7225620, 7225621, 7225622, 7225623, 7225624, 7225625, 7225626, 7225627, 7225628, 7225629, 7225630, 7225631, 7225632, 7225633, 7225634, 7225635, 7225636, 7225637, 7225638 via cif-deposit CGI script. |
7225631.cif |
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Users of the data should acknowledge the original authors of the
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