Information card for entry 7152443

Structure parameters

• Formula: C37 H50 F5 N5 O4
• Calculated formula: C37 H50 F5 N5 O4
• Title of publication: Benzimidazole-based anion receptors: tautomeric switching and selectivity.
• Authors of publication: Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 5909 - 5915
• a: 21.464 ± 0.015 Å
• b: 8.35 ± 0.006 Å
• c: 20.873 ± 0.014 Å
• α: 90°
• β: 98.375 ± 0.012°
• γ: 90°
• Cell volume: 3701 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No