Information card for entry 4071628

Structure parameters

• Common name: 1-toryl-2,3,4,5-tetraphenylborole
• Formula: C35 H27 B
• Calculated formula: C35 H27 B
• Title of publication: Synthesis and Structural Characterization of Pentaarylboroles and Their Dianions
• Authors of publication: So, Cheuk-Wai; Watanabe, Daisuke; Wakamiya, Atsushi; Yamaguchi, Shigehiro
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3496
• a: 10.099 ± 0.008 Å
• b: 10.099 ± 0.008 Å
• c: 25.157 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2566 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2055
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No