Information card for entry 7225638

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: C(=O)([C@@H]([C@H](C(=O)O)O)O)O.C(=O)(C[NH3+])[O-].C(=O)([C@H]([C@@H](C(=O)O)O)O)O.C(=O)(C[NH3+])[O-]
• 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: 4.6691 ± 0.0003 Å
• b: 8.8675 ± 0.001 Å
• c: 18.0795 ± 0.0011 Å
• α: 99.614 ± 0.007°
• β: 96.706 ± 0.005°
• γ: 94.481 ± 0.007°
• Cell volume: 729.34 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 5310000 kPa
• Ambient diffracton pressure: 5310000 kPa
• 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: 0.1171
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No