Information card for entry 7015836

Structure parameters

• Formula: C21 H18 B N O3
• Calculated formula: C21 H18 B N O3
• SMILES: [B]12([N](=Cc3c(O1)cccc3)c1c(cccc1C)C)Oc1ccccc1O2
• 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: 16.124 ± 0.006 Å
• b: 7.653 ± 0.003 Å
• c: 14.192 ± 0.005 Å
• α: 90°
• β: 98.931 ± 0.005°
• γ: 90°
• Cell volume: 1730 ± 1.1 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.1045
• 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