Information card for entry 1574655

Structure parameters

• Formula: C37 H43 B N2 O
• Calculated formula: C37 H43 B N2 O
• 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: 20.64 ± 0.002 Å
• b: 13.099 ± 0.002 Å
• c: 22.222 ± 0.003 Å
• α: 90°
• β: 96.787 ± 0.007°
• γ: 90°
• Cell volume: 5965.9 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No