Information card for entry 7153852

Structure parameters

• Formula: C34 H28 F12 N2 O2 S2
• Calculated formula: C34 H28 F12 N2 O2 S2
• Title of publication: Arylpyrrole oligomers as tunable anion receptors.
• Authors of publication: Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 29
• Pages of publication: 5492 - 5499
• a: 9.4849 ± 0.0008 Å
• b: 18.4276 ± 0.0016 Å
• c: 19.2588 ± 0.0017 Å
• α: 90°
• β: 92.1781 ± 0.0015°
• γ: 90°
• Cell volume: 3363.7 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No