Information card for entry 1548986

Structure parameters

• Chemical name: Bis(2-formylphenyl) benzene-1,2-dicarboxylate
• Formula: C22 H14 O6
• Calculated formula: C22 H14 O6
• SMILES: O=C(Oc1ccccc1C=O)c1ccccc1C(=O)Oc1ccccc1C=O
• Title of publication: Bis(2-formylphenyl) benzene-1,2-dicarboxylate
• Authors of publication: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hawaiz, Farouq E.; Ayoob, Mzgin M.; Hussein, Awaz J.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 2
• Pages of publication: x180251
• a: 8.1833 ± 0.0002 Å
• b: 15.4412 ± 0.0004 Å
• c: 15.525 ± 0.0004 Å
• α: 110.657 ± 0.001°
• β: 104.919 ± 0.001°
• γ: 90.516 ± 0.001°
• Cell volume: 1762.9 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes