Information card for entry 4086947

Structure parameters

• Formula: C13 H26 B N
• Calculated formula: C13 H26 B N
• SMILES: [N]1(CCC[B]21C1CCCC2CCC1)(C)C
• Title of publication: Dynamic Exchange in Intramolecular Lewis Pairs with Multiple Lewis-Acidic Functions
• Authors of publication: Körte, Leif A.; Blomeyer, Sebastian; Peters, Jan-Hendrik; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 742
• a: 9.30266 ± 0.00015 Å
• b: 12.21955 ± 0.00019 Å
• c: 11.0832 ± 0.0002 Å
• α: 90°
• β: 102.641 ± 0.0018°
• γ: 90°
• Cell volume: 1229.34 ± 0.04 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: 0.0355
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No