Information card for entry 7219623

Structure parameters

• Common name: Carglumic Acid
• Chemical name: N-Carbamoyl-L-Glutamic Acid
• Formula: C6 H10 N2 O5
• Calculated formula: C6 H10 N2 O5
• SMILES: O=C(N)N[C@@H](CCC(=O)O)C(=O)O
• Title of publication: Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid
• Authors of publication: Maddileti, D.; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 28
• Pages of publication: 5252
• a: 5.3615 ± 0.0005 Å
• b: 15.8123 ± 0.0015 Å
• c: 9.9631 ± 0.0009 Å
• α: 90°
• β: 90.899 ± 0.002°
• γ: 90°
• Cell volume: 844.54 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No