Information card for entry 7701162

Structure parameters

• Formula: C50 H52 B2
• Calculated formula: C50 H52 B2
• Title of publication: Synthesis, structure and anion binding properties of 1,8-bis(dimesitylboryl)anthracene and its monoborylated analog.
• Authors of publication: Teerasarunyanon, Ratanakorn; Wilkins, Lewis C.; Park, Gyeongjin; Gabbaï, François P
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14777 - 14782
• a: 15.5053 ± 0.0018 Å
• b: 19.059 ± 0.002 Å
• c: 15.89 ± 0.003 Å
• α: 90°
• β: 113.204 ± 0.003°
• γ: 90°
• Cell volume: 4315.9 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No