Information card for entry 2219977

Structure parameters

• Common name: (E)-5,5'-(dizene-1,2-diyl)diisophthalic acid
• Chemical name: (E)-5,5'-(Diazene-1,2-diyl)diisophthalic acid N,N-dimethylformamide disolvate
• Formula: C22 H24 N4 O10
• Calculated formula: C22 H24 N4 O10
• SMILES: OC(=O)c1cc(/N=N/c2cc(cc(c2)C(=O)O)C(=O)O)cc(c1)C(=O)O.O=CN(C)C.O=CN(C)C
• Title of publication: (<i>E</i>)-5,5'-(Diazene-1,2-diyl)diisophthalic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Zhang, Li; Qu, Zhi-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2202
• a: 6.2926 ± 0.0013 Å
• b: 7.2114 ± 0.0013 Å
• c: 13.653 ± 0.004 Å
• α: 80.94 ± 0.04°
• β: 85.3 ± 0.04°
• γ: 81.72 ± 0.03°
• Cell volume: 604.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes