Information card for entry 7151270

Structure parameters

• Chemical name: tris{2-(N-n-butyl-benzimidazole)phenyl}-boroxin
• Formula: C51 H51 B3 N6 O3
• Calculated formula: C51 H51 B3 N6 O3
• Title of publication: Synthesis and structure of bifunctional N-alkylbenzimidazole phenylboronate derivatives.
• Authors of publication: Blatch, Alexandrea J.; Chetina, Olga V.; Howard, Judith A. K.; Patrick, Leonard G. F.; Smethurst, Christian A.; Whiting, Andrew
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 17
• Pages of publication: 3297 - 3302
• a: 11.223 ± 0.002 Å
• b: 13.252 ± 0.003 Å
• c: 16.734 ± 0.003 Å
• α: 75.48 ± 0.03°
• β: 73.58 ± 0.03°
• γ: 70.65 ± 0.03°
• Cell volume: 2218.3 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1419
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No