Information card for entry 1552504

Structure parameters

• Formula: C20 H22 B N
• Calculated formula: C20 H22 B N
• Title of publication: Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.
• Authors of publication: Su, Xiaojun; Baker, J. J.; Martin, Caleb D.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 126 - 131
• a: 39.763 ± 0.002 Å
• b: 37.788 ± 0.002 Å
• c: 8.9491 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13446.6 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No