Information card for entry 1545521

Structure parameters

• Formula: C22 H20 O6
• Calculated formula: C22 H20 O6
• SMILES: O(CCC)C(=O)c1ccc2oc3oc4ccc(cc4c3c2c1)C(=O)OCCC
• Title of publication: Synthesis and characterization of semiaromatic polyamides comprising benzofurobenzofuran repeating units
• Authors of publication: Cretenoud, Julien; Özen, Bilal; Schmaltz, Thomas; Görl, Daniel; Fabrizio, Alberto; Corminboeuf, Clémence; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Frauenrath, Holger
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 2197
• a: 8.7557 ± 0.0004 Å
• b: 10.3822 ± 0.0004 Å
• c: 11.1677 ± 0.0005 Å
• α: 63.052 ± 0.004°
• β: 82.84 ± 0.004°
• γ: 86.27 ± 0.004°
• Cell volume: 897.85 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0371
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No