Information card for entry 7714667

Structure parameters

• Formula: C79 H96 B2 N5
• Calculated formula: C79 H96 B2 N5
• Title of publication: CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.
• Authors of publication: Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 449 - 453
• a: 11.4791 ± 0.0001 Å
• b: 13.0245 ± 0.0001 Å
• c: 22.3883 ± 0.0001 Å
• α: 79.339 ± 0.001°
• β: 86.627 ± 0.001°
• γ: 86.676 ± 0.001°
• Cell volume: 3280 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0383
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• 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: No
• Has Fobs: No