Information card for entry 7038625

Structure parameters

• Common name: 15
• Formula: C60 H80 B P
• Calculated formula: C40 H32 B P
• SMILES: [PH2]([B]1(C(=C(c2ccccc2)C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• 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: 14.7877 ± 0.0006 Å
• b: 12.3571 ± 0.0006 Å
• c: 35.9892 ± 0.0016 Å
• α: 90°
• β: 95.394 ± 0.003°
• γ: 90°
• Cell volume: 6547.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No