Information card for entry 7715772

Structure parameters

• Formula: C40 H40 B2 N2
• Calculated formula: C40 H40 B2 N2
• SMILES: [N]1(C)(C)CC[N](C)(C)[B]2(C#Cc3c4cc5c(cccc5cc4ccc3)C#C[B]31Cc1ccccc1C3)Cc1ccccc1C2
• 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: 10.3734 ± 0.0003 Å
• b: 19.5963 ± 0.0005 Å
• c: 15.8553 ± 0.0003 Å
• α: 90°
• β: 102.198 ± 0.002°
• γ: 90°
• Cell volume: 3150.3 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No