Information card for entry 7706949

Structure parameters

• Formula: C34 H28 B F5 O4
• Calculated formula: C34 H28 B F5 O4
• Title of publication: Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.
• Authors of publication: Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 5044 - 5049
• a: 8.6846 ± 0.0002 Å
• b: 11.2757 ± 0.0003 Å
• c: 28.9903 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2838.87 ± 0.12 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No