Information card for entry 7153853

Structure parameters

• Formula: C48 H55 F12 N3 O2
• Calculated formula: C48 H55 F12 N3 O2
• 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: 17.1963 ± 0.0019 Å
• b: 22.354 ± 0.003 Å
• c: 24.519 ± 0.003 Å
• α: 90°
• β: 97.389 ± 0.002°
• γ: 90°
• Cell volume: 9347 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2555
• Residual factor for significantly intense reflections: 0.1229
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No