Information card for entry 4133305

Structure parameters

• Formula: C24 H20 B F4 N
• Calculated formula: C24 H20 B F4 N
• SMILES: [n+]1(C(c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Carbon's Three-Center, Four-Electron Tetrel Bond, Treated Experimentally.
• Authors of publication: Karim, Alavi; Schulz, Nils; Andersson, Hanna; Nekoueishahraki, Bijan; Carlsson, Anna-Carin C; Sarabi, Daniel; Valkonen, Arto; Rissanen, Kari; Gräfenstein, Jürgen; Keller, Sandro; Erdélyi, Máté
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 50
• Pages of publication: 17571 - 17579
• a: 25.7941 ± 0.0007 Å
• b: 7.4589 ± 0.0002 Å
• c: 20.1543 ± 0.0006 Å
• α: 90°
• β: 90.743 ± 0.003°
• γ: 90°
• Cell volume: 3877.27 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1164
• Residual factor for significantly intense reflections: 0.1142
• Weighted residual factors for significantly intense reflections: 0.3662
• Weighted residual factors for all reflections included in the refinement: 0.3671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No