Information card for entry 7225628

Structure parameters

• Common name: glycine-DL-tartaric acid (1:1)
• Chemical name: glycine-DL-tartaric acid (1:1)
• Formula: C6 H11 N O8
• Calculated formula: C6 H11 N O8
• SMILES: O[C@@H](C(=O)O)[C@@H](O)C(=O)O.[O-]C(=O)C[NH3+].O[C@H](C(=O)O)[C@H](O)C(=O)O.[O-]C(=O)C[NH3+]
• Title of publication: Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study
• Authors of publication: Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 31
• Pages of publication: 5869
• a: 4.8316 ± 0.0003 Å
• b: 9.291 ± 0.002 Å
• c: 20.4354 ± 0.0015 Å
• α: 90°
• β: 102.972 ± 0.006°
• γ: 90°
• Cell volume: 893.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 100000 kPa
• Ambient diffracton pressure: 100000 kPa
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No