Information card for entry 7015834

Structure parameters

• Formula: C32 H36 B N O2
• Calculated formula: C32 H36 B N O2
• SMILES: B(Oc1c(cccc1)CNc1ccc(OC)cc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 22.194 ± 0.004 Å
• b: 7.8827 ± 0.0013 Å
• c: 32.456 ± 0.006 Å
• α: 90°
• β: 100.937 ± 0.005°
• γ: 90°
• Cell volume: 5575 ± 1.7 ų
• Cell temperature: 213 ± 1 K
• Ambient diffraction temperature: 213 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No