Information card for entry 7118771

Structure parameters

• Formula: C23 H26 N2 O3
• Calculated formula: C23 H26 N2 O3
• SMILES: n1c(ccc2ccccc12)[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1.n1c(ccc2ccccc12)[C@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1
• Title of publication: Copper-catalyzed borylative coupling of vinylazaarenes and N-Boc imines.
• Authors of publication: Smith, Joshua J.; Best, Daniel; Lam, Hon Wai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 19
• Pages of publication: 3770 - 3772
• a: 5.1957 ± 0.0002 Å
• b: 24.5851 ± 0.0011 Å
• c: 16.0276 ± 0.0007 Å
• α: 90°
• β: 93.625 ± 0.004°
• γ: 90°
• Cell volume: 2043.22 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0981
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No