Information card for entry 1556867

Structure parameters

• Common name: TMB + diphenylketene
• Formula: C32 H35 B O
• Calculated formula: C32 H35 B O
• SMILES: B1(OC(=C(c2ccccc2)c2ccccc2)C(=C(C(=C1CC)CC)CC)CC)c1ccccc1
• 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: 10.6036 ± 0.0003 Å
• b: 17.5824 ± 0.0005 Å
• c: 17.446 ± 0.0005 Å
• α: 90°
• β: 125.621 ± 0.001°
• γ: 90°
• Cell volume: 2643.98 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1426
• 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