Information card for entry 2312081

Structure parameters

• Common name: 2λ^4^,4λ^4^,6λ^4^,8λ^4^-Tetrabora-1,3,5,7(1,3)-tetrapyridinacyclooctaphane-1^1^,3^1^,5^1^,7^1^-tetrakis(ylium)
• Chemical name: 2,2,8,8,14,14,20,20-Octakis[4-(dibutylamino)phenyl]-1,7,13,19-tetraaza-2,8,14,20-tetraborapentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-1,7,13,19-tetrakis(ylium)
• Formula: C132 H192 B4 N12
• Calculated formula: C132 H192 B4 N12
• Title of publication: Structure determination of a bis[4-(di-n-butylamino)phenyl](pyridin-3-yl)borane tetramer highlighting a unique geometric conformation of the core 16-membered ring.
• Authors of publication: Lovstedt, Alex; Dempsey, Stephen H.; Kass, Steven R.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 5
• Pages of publication: 170 - 176
• a: 15.5952 ± 0.0011 Å
• b: 15.7968 ± 0.0011 Å
• c: 25.7779 ± 0.0015 Å
• α: 74.729 ± 0.002°
• β: 85.878 ± 0.002°
• γ: 89.857 ± 0.002°
• Cell volume: 6109.5 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes