Information card for entry 7061063

Structure parameters

• Formula: C55 H52 B
• Calculated formula: C55 H52 B
• Title of publication: Synthesis, crystal structure, solid-state optical property and C–H activation of sp3 carbon of highly-stable 1-(2′,6′-dimesitylphenyl)-2,3,4,5-tetraphenylborole
• Authors of publication: Himeno, Ryoji; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 22569 - 22573
• a: 10.887 ± 0.0005 Å
• b: 11.6042 ± 0.0005 Å
• c: 32.5768 ± 0.0014 Å
• α: 90°
• β: 92.69 ± 0.007°
• γ: 90°
• Cell volume: 4111.1 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No