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Information card for entry 7205799
Preview
| Coordinates | 7205799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | solvated gamma-aminobutyric acid |
|---|---|
| Chemical name | solvated gamma-aminobutyric acid |
| Formula | C8.2 H18 N2 O4.1 |
| Calculated formula | C8.2 H18 N2 O4.1 |
| Title of publication | A hexagonal solvate of the neurotransmitter γ-aminobutyric acid |
| Authors of publication | de Vries, Elise J. C.; Levendis, Demetrius C.; Reece, Hayley A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 10 |
| Pages of publication | 3334 |
| a | 15.9164 ± 0.0008 Å |
| b | 15.9164 ± 0.0008 Å |
| c | 7.8769 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1728.13 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 171 |
| Hermann-Mauguin space group symbol | P 62 |
| Hall space group symbol | P 62 |
| Residual factor for all reflections | 0.1018 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7205799.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205799.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205799.cif |
| 21014 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205799 via cif-deposit CGI script. |
7205799.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.