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Information card for entry 7225351
Preview
| Coordinates | 7225351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Diammonium (2R,6S)-tetrahydro-2H-pyran-2,6-dicarboxylate.(2R,6S)-tetrahydro-2H-pyran-2,6-dicarboxylic acid |
|---|---|
| Formula | C7 H13 N O5 |
| Calculated formula | C7 H13 N O5 |
| Title of publication | Concise Syntheses of Bridged Morpholines |
| Authors of publication | Golding, Bernard Thomas; Pickles, James; Zaytsev, Andrey; Harnor, Suzannah; Henderson, Alistair; Alyasiri, Mohammed; Waddell, Paul G.; Cano, Celine; Griffin, Roger |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 6.9141 ± 0.0002 Å |
| b | 9.3897 ± 0.0003 Å |
| c | 14.4781 ± 0.0005 Å |
| α | 101.468 ± 0.003° |
| β | 96.993 ± 0.003° |
| γ | 98.349 ± 0.003° |
| Cell volume | 900.35 ± 0.05 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 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 | 0.0345 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7225351.cif |
| 183145 | 2016-05-28 | cif/ Adding structures of 7225351 via cif-deposit CGI script. |
7225351.cif |
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Users of the data should acknowledge the original authors of the
structural data.