Information card for entry 1574651

Structure parameters

• Formula: C18 H15 B N4
• Calculated formula: C18 H15 B N4
• 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: 5.7579 ± 0.0004 Å
• b: 15.6788 ± 0.0011 Å
• c: 16.3799 ± 0.0011 Å
• α: 90°
• β: 94.763 ± 0.003°
• γ: 90°
• Cell volume: 1473.62 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No