Information card for entry 4342297

Structure parameters

• Formula: C84 H64 B2 N2 O4
• Calculated formula: C84 H64 B2 N2 O4
• Title of publication: Ring expansion reactions of pentaphenylborole with dipolar molecules as a route to seven-membered boron heterocycles.
• Authors of publication: Huang, Kexuan; Martin, Caleb D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1869 - 1875
• a: 13.5669 ± 0.0007 Å
• b: 14.159 ± 0.0007 Å
• c: 18.4513 ± 0.0009 Å
• α: 81.226 ± 0.001°
• β: 78.651 ± 0.002°
• γ: 65.279 ± 0.001°
• Cell volume: 3146.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No