Information card for entry 1574656

Structure parameters

• Formula: C72 H64 B3 F15 N2
• Calculated formula: C72 H64 B3 F15 N2
• Title of publication: Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species
• Authors of publication: Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 11841 - 11848
• a: 13.063 ± 0.003 Å
• b: 15.942 ± 0.003 Å
• c: 21.12 ± 0.005 Å
• α: 92.077 ± 0.008°
• β: 107.094 ± 0.008°
• γ: 109.231 ± 0.007°
• Cell volume: 3926 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.092
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No