Information card for entry 4087343

Structure parameters

• Formula: C48 H37 B O
• Calculated formula: C48 H37 B O
• SMILES: O1B(C(=C(C(=C(C(C1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Ring Opening of Epoxides Induced by Pentaphenylborole
• Authors of publication: Yruegas, Sam; Wilson, Charles; Dutton, Jason L.; Martin, Caleb D.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 14
• Pages of publication: 2581
• a: 10.0123 ± 0.0019 Å
• b: 12.407 ± 0.003 Å
• c: 14.53 ± 0.003 Å
• α: 83.513 ± 0.007°
• β: 80.646 ± 0.007°
• γ: 86.38 ± 0.006°
• Cell volume: 1767.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No