Information card for entry 1545522

Structure parameters

• Formula: C25 H33 N2 O6.5
• Calculated formula: C25 H33 N2 O6.5
• SMILES: O=C(NCCC)c1ccc2OC3Oc4c(C3(O)c2c1)cc(cc4)C(=O)NCCC.OCC.OCC
• 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: 10.191 ± 0.0003 Å
• b: 13.7072 ± 0.0003 Å
• c: 19.0724 ± 0.0005 Å
• α: 90.789 ± 0.002°
• β: 103.313 ± 0.003°
• γ: 109.953 ± 0.002°
• Cell volume: 2424.55 ± 0.12 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 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: 0.0496
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No