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Information card for entry 2018980
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| Coordinates | 2018980.cif |
|---|---|
| Structure factors | 2018980.hkl |
| Original IUCr paper | HTML |
| Common name | <i>L</i>-Serinium semi-maleate |
|---|---|
| Chemical name | <i>L</i>-Serinium semi-maleate |
| Formula | C7 H11 N O7 |
| Calculated formula | C7 H11 N O7 |
| SMILES | C(=O)(O)[C@@H]([NH3+])CO.C(=O)([O-])/C=C\C(=O)O |
| Title of publication | Semi-maleate salts of <small>L</small>- and <small>DL</small>-serinium: the first example of chiral and racemic serinium salts with the same composition and stoichiometry |
| Authors of publication | Arkhipov, Sergey G.; Zakharov, Boris A.; Boldyreva, Elena V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | 517 - 521 |
| a | 6.9527 ± 0.0011 Å |
| b | 6.5631 ± 0.001 Å |
| c | 10.4284 ± 0.0019 Å |
| α | 90° |
| β | 97.094 ± 0.014° |
| γ | 90° |
| Cell volume | 472.22 ± 0.14 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.0603 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (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 2/01/89. |
2018980.cif 2018980.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. |
2018980.cif 2018980.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. |
2018980.cif 2018980.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018980.cif 2018980.hkl |
| 86666 | 2013-07-11 | cif/ Adding structures of 2018980, 2018981 via cif-deposit CGI script. |
2018980.cif |
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Users of the data should acknowledge the original authors of the
structural data.