Information card for entry 1577344

Structure parameters

• Formula: C85 H103 B3 O3
• Calculated formula: C85 H103 B3 O3
• Title of publication: Tris((4-BMes₂)phenyl)methanide: a carbanion with a delocalised triple quinoidal structure.
• Authors of publication: Zhang, Yufeng; Krebs, Johannes; Friedrich, Alexandra; Yamaguchi, Shigehiro; Krummenacher, Ivo; Braunschweig, Holger; Marder, Todd B.; Ji, Lei
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 9625 - 9632
• a: 19.6219 ± 0.0002 Å
• b: 16.0897 ± 0.0002 Å
• c: 23.054 ± 0.0003 Å
• α: 90°
• β: 91.953 ± 0.001°
• γ: 90°
• Cell volume: 7274.16 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2166
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No