Information card for entry 1520167

Structure parameters

• Chemical name: maleic acid & TEMED
• Formula: C14 H24 N2 O8
• Calculated formula: C14 H24 N2 O8
• SMILES: [O-]C(=O)/C=C\C(=O)O.O=C([O-])/C=C\C(=O)O.[NH+](C)(CC[NH+](C)C)C
• Title of publication: Hemi-tetramethylethylenediammonium maleate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 511
• a: 5.7536 ± 0.0006 Å
• b: 14.855 ± 0.002 Å
• c: 10.1829 ± 0.0015 Å
• α: 90°
• β: 100.799 ± 0.009°
• γ: 90°
• Cell volume: 854.92 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1739
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No