Information card for entry 4071630

Structure parameters

• Chemical name: 1-(4-fluorophenyl)-2,3,4,5- tetraphenylborole
• Formula: C34 H24 B F
• Calculated formula: C34 H24 B F
• SMILES: B1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)F
• Title of publication: Synthesis and Structural Characterization of Pentaarylboroles and Their Dianions
• Authors of publication: So, Cheuk-Wai; Watanabe, Daisuke; Wakamiya, Atsushi; Yamaguchi, Shigehiro
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3496
• a: 10.975 ± 0.005 Å
• b: 9.582 ± 0.004 Å
• c: 24.482 ± 0.011 Å
• α: 90°
• β: 97.028 ± 0.007°
• γ: 90°
• Cell volume: 2555 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No