Information card for entry 7715777

Structure parameters

• Formula: C46 H12 B2 F20 N2
• Calculated formula: C46 H12 B2 F20 N2
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B]1([n]2c[n](ccc2)[B](C#Cc2c3cc4c(cccc4cc3ccc2)C#C1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.
• Authors of publication: Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 7958 - 7964
• a: 9.0213 ± 0.0002 Å
• b: 15.658 ± 0.0003 Å
• c: 26.842 ± 0.0004 Å
• α: 90°
• β: 92.696 ± 0.002°
• γ: 90°
• Cell volume: 3787.38 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No