Information card for entry 2013648

Structure parameters

• Chemical name: Bis(glycylglycinium) oxalate
• Formula: C10 H18 N4 O10
• Calculated formula: C10 H18 N4 O10
• SMILES: C(C(=O)NCC(=O)O)[NH3+].C(=O)([O-])C(=O)[O-].C(C(=O)NCC(=O)O)[NH3+]
• Title of publication: Bis(glycylglycinium) oxalate at 100K
• Authors of publication: Ejsmont, Krzysztof; Zaleski, Jacek; Joe, Isaac H.; Jayakumar, Victor S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o553 - o555
• a: 8.2384 ± 0.0007 Å
• b: 10.0582 ± 0.0009 Å
• c: 8.9323 ± 0.0008 Å
• α: 90°
• β: 94.477 ± 0.007°
• γ: 90°
• Cell volume: 737.9 ± 0.11 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes