Information card for entry 7015835

Structure parameters

• Formula: C27 H36 B N O
• Calculated formula: C27 H36 B N O
• SMILES: [B]12([N](=Cc3c(O1)cccc3)c1c(cccc1C(C)C)C(C)C)C1CCCC2CCC1
• Title of publication: Addition of boranes to N-aryl-salicylaldimines: intramolecular hydrogenation of imines.
• Authors of publication: Barnes, Stephanie S.; Vogels, Christopher M.; Decken, Andreas; Westcott, Stephen A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4707 - 4714
• a: 8.9551 ± 0.0013 Å
• b: 15.564 ± 0.002 Å
• c: 16.659 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2321.9 ± 0.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No