Information card for entry 7225621

Structure parameters

• Common name: glycine-phthalic acid (1:1)
• Chemical name: glycine-phthalic acid (1:1)
• Formula: C10 H11 N O6
• Calculated formula: C10 H11 N O6
• SMILES: O=C([O-])C[NH3+].OC(=O)c1c(C(=O)O)cccc1
• 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: 8.0565 ± 0.001 Å
• b: 11.3647 ± 0.0012 Å
• c: 23.719 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2171.7 ± 0.5 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No