Information card for entry 7205799

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 ų
• 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