Information card for entry 7715773

Structure parameters

• Formula: C14 H22 B N
• Calculated formula: C14 H22 B N
• SMILES: N(C(C)C)(C(C)C)B1Cc2ccccc2C1
• 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: 14.22709 ± 0.00018 Å
• b: 15.98244 ± 0.00015 Å
• c: 23.7578 ± 0.0002 Å
• α: 90°
• β: 100.083 ± 0.0011°
• γ: 90°
• Cell volume: 5318.7 ± 0.1 ų
• Cell temperature: 99.94 ± 0.15 K
• Ambient diffraction temperature: 99.94 ± 0.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No