Information card for entry 4342300

Structure parameters

• Formula: C82 H70 N2 O
• Calculated formula: C82 H70 N2 O
• 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: 10.0622 ± 0.0005 Å
• b: 12.3656 ± 0.0007 Å
• c: 14.08 ± 0.0008 Å
• α: 64.008 ± 0.002°
• β: 82.155 ± 0.002°
• γ: 77.067 ± 0.002°
• Cell volume: 1533.29 ± 0.15 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: 0.0835
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No