Information card for entry 7038621

Structure parameters

• Common name: 11
• Formula: C34 H27 B O
• Calculated formula: C34 H27 B O
• Title of publication: Probing the reactivity of pentaphenylborole with N-H, O-H, P-H, and S-H bonds.
• Authors of publication: Yruegas, Sam; Huang, Kexuan; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9902 - 9911
• a: 16.1884 ± 0.0009 Å
• b: 9.1325 ± 0.0006 Å
• c: 18.4471 ± 0.0013 Å
• α: 90°
• β: 108.626 ± 0.002°
• γ: 90°
• Cell volume: 2584.4 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No