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Information card for entry 2017984
Preview
| Coordinates | 2017984.cif |
|---|---|
| Structure factors | 2017984.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | DL-alaninium semi-oxalate hydrate |
|---|---|
| Chemical name | DL-Alaninium semioxalate monohydrate |
| Formula | C5 H11 N O7 |
| Calculated formula | C5 H11 N O7 |
| SMILES | OC(=O)C(=O)[O-].O=C(O)C([NH3+])C.O |
| Title of publication | <small>DL</small>-Alaninium semi-oxalate monohydrate |
| Authors of publication | Zakharov, Boris A.; Boldyreva, Elena V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o47 - o51 |
| a | 12.4987 ± 0.0019 Å |
| b | 6.6017 ± 0.0006 Å |
| c | 11.3732 ± 0.0018 Å |
| α | 90° |
| β | 113.585 ± 0.012° |
| γ | 90° |
| Cell volume | 860 ± 0.2 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2017984.cif 2017984.hkl |
| 180848 | 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 2/01/79. |
2017984.cif 2017984.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. |
2017984.cif 2017984.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017984.cif 2017984.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. | 2017984.cif 2017984.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017984.cif 2017984.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2017984.cif 2017984.hkl |
| 12188 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2017984 via cif-deposit CGI script. |
2017984.cif |
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Users of the data should acknowledge the original authors of the
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