Information card for entry 1505289

Structure parameters

• Formula: C44 H54 B2 F8 N6 O8
• Calculated formula: C44 H54 B2 F8 N6 O8
• Title of publication: New bis(benzimidazole) cations for threading through dibenzo-24-crown-8.
• Authors of publication: Li, Liwei; Clarkson, Guy J.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 497 - 500
• a: 11.526 ± 0.01 Å
• b: 14.191 ± 0.013 Å
• c: 14.332 ± 0.013 Å
• α: 90°
• β: 100.314 ± 0.015°
• γ: 90°
• Cell volume: 2306 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0818
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No