Information card for entry 7219622

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: OC(=O)CC[C@H](NC(=O)N)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: 5.1179 ± 0.0008 Å
• b: 12.2079 ± 0.0018 Å
• c: 12.7508 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 796.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No