Information card for entry 4088486

Structure parameters

• Common name: B-Biphenylborole
• Formula: C40 H29 B
• Calculated formula: C40 H29 B
• SMILES: B1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1ccccc1
• Title of publication: Reactivity of a Phosphaalkyne with Pentaarylboroles
• Authors of publication: Barnard, Jonathan H.; Yruegas, Sam; Couchman, Shannon A.; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 929
• a: 11.0877 ± 0.0006 Å
• b: 11.9227 ± 0.0007 Å
• c: 12.2107 ± 0.0007 Å
• α: 68.21 ± 0.002°
• β: 88.182 ± 0.002°
• γ: 85.905 ± 0.002°
• Cell volume: 1495.01 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No