Information card for entry 7154384

Structure parameters

• Formula: C23 H21 N
• Calculated formula: C23 H21 N
• SMILES: N(=C\C(=C\c1ccccc1)C)/C(c1ccccc1)c1ccccc1
• Title of publication: One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.
• Authors of publication: Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 18
• Pages of publication: 5122 - 5130
• a: 6.1195 ± 0.0005 Å
• b: 8.1503 ± 0.0007 Å
• c: 34.905 ± 0.003 Å
• α: 93.937 ± 0.003°
• β: 93.167 ± 0.003°
• γ: 95.383 ± 0.003°
• Cell volume: 1725.8 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No