Information card for entry 1574654

Structure parameters

• Formula: C78 H76 B2 N6
• Calculated formula: C78 H76 B2 N6
• 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: 10.8373 ± 0.0005 Å
• b: 12.1312 ± 0.0007 Å
• c: 13.6657 ± 0.0007 Å
• α: 84.39 ± 0.002°
• β: 72.008 ± 0.002°
• γ: 68.497 ± 0.002°
• Cell volume: 1589.59 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No