Information card for entry 1577345

Structure parameters

• Formula: C111 H154 B3 K O12.5
• Calculated formula: C111 H154 B3 K O12.5
• 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: 12.8289 ± 0.0002 Å
• b: 13.796 ± 0.0003 Å
• c: 29.202 ± 0.0005 Å
• α: 85.135 ± 0.002°
• β: 87.824 ± 0.001°
• γ: 82 ± 0.001°
• Cell volume: 5097.86 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1219
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.2719
• Weighted residual factors for all reflections included in the refinement: 0.3012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• 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