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Information card for entry 2240798
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| Coordinates | 2240798.cif |
|---|---|
| Structure factors | 2240798.hkl |
| Original IUCr paper | HTML |
| Common name | Seleno-<i>L</i>-cystine dihydrochloride |
|---|---|
| Chemical name | (<i>R</i>,<i>R</i>)-1,1'-Dicarboxy-2,2'-(diselanediyl)diethanaminium dichloride |
| Formula | C6 H14 Cl2 N2 O4 Se2 |
| Calculated formula | C6 H14 Cl2 N2 O4 Se2 |
| SMILES | C(=O)([C@H](C[Se][Se]C[C@@H](C(=O)O)[NH3+])[NH3+])O.[Cl-].[Cl-] |
| Title of publication | Crystal structure of seleno-<small>L</small>-cystine dihydrochloride |
| Authors of publication | Görbitz, Carl Henrik; Levchenko, Vladimir; Semjonovs, Jevgenijs; Sharif, Mohamed Yusuf |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 726 - 729 |
| a | 18.8045 ± 0.0016 Å |
| b | 5.2529 ± 0.0004 Å |
| c | 7.2719 ± 0.0006 Å |
| α | 90° |
| β | 102.219 ± 0.001° |
| γ | 90° |
| Cell volume | 702.03 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0242 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0613 |
| Weighted residual factors for all reflections included in the refinement | 0.0616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240798.cif 2240798.hkl |
| 137559 | 2015-05-30 | cif/ hkl/ Adding structures of 2240798 via cif-deposit CGI script. |
2240798.cif 2240798.hkl |
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Users of the data should acknowledge the original authors of the
structural data.