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Information card for entry 2019996
Preview
| Coordinates | 2019996.cif |
|---|---|
| Structure factors | 2019996.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>L</i>-Norvalinium hydrogen maleate–<i>L</i>-norvaline (1/1) |
|---|---|
| Formula | C14 H26 N2 O8 |
| Calculated formula | C14 H26 N2 O8 |
| Title of publication | New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline |
| Authors of publication | Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| a | 12.2269 ± 0.0006 Å |
| b | 5.30779 ± 0.00017 Å |
| c | 15.4678 ± 0.0006 Å |
| α | 90° |
| β | 113.055 ± 0.005° |
| γ | 90° |
| Cell volume | 923.65 ± 0.07 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.0569 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2019996.cif 2019996.hkl |
| 181869 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019996.cif 2019996.hkl |
| 139369 | 2015-06-19 | cif/ hkl/ Adding structures of 2019994, 2019995, 2019996 via cif-deposit CGI script. |
2019996.cif 2019996.hkl |
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Users of the data should acknowledge the original authors of the
structural data.