Information card for entry 7714663

Structure parameters

• Formula: C36 H50 B2 N2 O2
• Calculated formula: C36 H50 B2 N2 O2
• 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: 7.7792 ± 0.0017 Å
• b: 10.3 ± 0.003 Å
• c: 10.4076 ± 0.0019 Å
• α: 78.833 ± 0.008°
• β: 82.411 ± 0.011°
• γ: 78.433 ± 0.009°
• Cell volume: 797.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0477
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No