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Information card for entry 7201805
Preview
| Coordinates | 7201805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | phenylethylamine succinate-succinic acid |
|---|---|
| Formula | C24 H34 N2 O8 |
| Calculated formula | C24 H34 N2 O8 |
| SMILES | [NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1.[O-]C(=O)CCC(=O)[O-].OC(=O)CCC(=O)O |
| Title of publication | Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid |
| Authors of publication | Haynes, Delia A.; Pietersen, Lauren K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 5 |
| Pages of publication | 518 |
| a | 9.3231 ± 0.0003 Å |
| b | 10.8304 ± 0.0004 Å |
| c | 12.703 ± 0.0005 Å |
| α | 80.931 ± 0.003° |
| β | 86.268 ± 0.003° |
| γ | 88.868 ± 0.003° |
| Cell volume | 1263.88 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| 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 | 0.0628 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1309 |
| Weighted residual factors for all reflections included in the refinement | 0.1374 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180349 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/18. |
7201805.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201805.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201805.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7201805.cif |
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