Information card for entry 7715780

Structure parameters

• Formula: C32 H44 B2 N2
• Calculated formula: C32 H44 B2 N2
• SMILES: [N]1(CC[N](C)(C)[B](C#Cc2c3cc4c(cccc4cc3ccc2)C#C[B]1(CC)CC)(CC)CC)(C)C
• 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: 7.74992 ± 0.00015 Å
• b: 10.6301 ± 0.0002 Å
• c: 17.3419 ± 0.0004 Å
• α: 95.5219 ± 0.0016°
• β: 95.4644 ± 0.0016°
• γ: 94.6077 ± 0.0016°
• Cell volume: 1409.79 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0342
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0601
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No