Information card for entry 8106620

Structure parameters

• Formula: C36 H37 B N4 O6
• Calculated formula: C36 H37 B N4 O6
• Title of publication: Crystal structure of bis(2-(2′-hydroxy-5′-methoxyphenyl)-1H-benzimidazole)boron – tetrahydrofuran (1/1), C36H37N4O6B
• Authors of publication: Yin, Guo-jie; Zhang, Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 615 - 617
• a: 9.3404 ± 0.0004 Å
• b: 19.8285 ± 0.001 Å
• c: 17.8985 ± 0.0009 Å
• α: 90°
• β: 103.301 ± 0.005°
• γ: 90°
• Cell volume: 3226 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No