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CIF Information Card
Information card for 7205799
7205798 << 7205799 >> 7205800Preview
|
Coordinates |
7205799.cif |
Structure parameters
| 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 |
| Hermann-Mauguin symmetry space group | P 62 |
| Hall symmetry space group | P 62 |
| Residual factor for all reflections | 0.1018 |
| Residual factor for observed reflections | 0.0542 |
| Weighted residual factors for the observed reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for observed reflections | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |