Information card for entry 2209193

Structure parameters

• Chemical name: Bis(<i>tert</i>-butylammonium) oxalate
• Formula: C10 H24 N2 O4
• Calculated formula: C10 H24 N2 O4
• SMILES: C(C)(C)([NH3+])C.C(=O)(C(=O)[O-])[O-].C(C)(C)(C)[NH3+]
• Title of publication: Bis(<i>tert</i>-butylammonium) oxalate
• Authors of publication: Ejsmont, Krzysztof; Zaleski, Jacek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2512 - o2513
• a: 11.264 ± 0.002 Å
• b: 7.512 ± 0.001 Å
• c: 9.324 ± 0.001 Å
• α: 90°
• β: 111.91 ± 0.01°
• γ: 90°
• Cell volume: 731.97 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes