Information card for entry 2208591

Structure parameters

• Chemical name: 3,6-dioxaoctane-1,8-diammonium oxalate
• Formula: C8 H18 N2 O6
• Calculated formula: C8 H18 N2 O6
• SMILES: C(COCCOCC[NH3+])[NH3+].C(=O)(C(=O)[O-])[O-]
• Title of publication: 3,6-Dioxaoctane-1,8-diammonium oxalate
• Authors of publication: Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1524 - o1525
• a: 7.5119 ± 0.0007 Å
• b: 7.7072 ± 0.0005 Å
• c: 10.879 ± 0.001 Å
• α: 90°
• β: 121.494 ± 0.006°
• γ: 90°
• Cell volume: 537.07 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0346
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes