Information card for entry 2239333

Structure parameters

• Chemical name: 4,4'-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoic acid dimethylformamide disolvate
• Formula: C28 H32 N2 O8
• Calculated formula: C28 H32 N2 O8
• SMILES: OC(=O)c1ccc(cc1)OCc1ccccc1COc1ccc(cc1)C(=O)O.O=CN(C)C.O=CN(C)C
• Title of publication: 4,4'-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoic acid dimethylformamide disolvate
• Authors of publication: Qiu, Zhen-Zhe; Jing, Bi; Li, Qiu-Xia; Zhu, Ai-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o534 - o535
• a: 12.568 ± 0.003 Å
• b: 11.081 ± 0.002 Å
• c: 19.688 ± 0.004 Å
• α: 90°
• β: 98.04 ± 0.03°
• γ: 90°
• Cell volume: 2714.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes