Information card for entry 2227781

Structure parameters

• Common name: Guanidinium L-glutamate
• Chemical name: bis(carbamimidoylazanium) (2R)-2-aminopentanedioate
• Formula: C6 H14 N4 O4
• Calculated formula: C6 H14 N4 O4
• SMILES: C(=O)([C@H](CCC(=O)[O-])[NH3+])[O-].C(=[NH2+])(N)N
• Title of publication: Guanidinium <small>L</small>-glutamate
• Authors of publication: Peng, Bing; Peng, Qingrong; Zhou, Wenfeng; Zhou, Zhiqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2679
• a: 8.7793 ± 0.0007 Å
• b: 10.8729 ± 0.001 Å
• c: 10.0801 ± 0.0009 Å
• α: 90°
• β: 104.552 ± 0.001°
• γ: 90°
• Cell volume: 931.34 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes