Information card for entry 7718540

Structure parameters

• Formula: C27 H28 B N3 O2
• Calculated formula: C27 H28 B N3 O2
• 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: 17.6177 ± 0.0011 Å
• b: 8.6944 ± 0.0005 Å
• c: 15.4216 ± 0.0009 Å
• α: 90°
• β: 107.003 ± 0.002°
• γ: 90°
• Cell volume: 2259 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1337
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No