Information card for entry 7718541

Structure parameters

• Formula: C34 H36 B N3 O
• Calculated formula: C34 H36 B N3 O
• Title of publication: CO and CS bond activation by an annulated 1,4,2-diazaborole.
• Authors of publication: Pattathil, Vignesh; Pranckevicius, Conor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 8169 - 8173
• a: 16.2727 ± 0.0006 Å
• b: 8.0712 ± 0.0003 Å
• c: 21.5149 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2825.77 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No