Information card for entry 7158156

Structure parameters

• Formula: C26 H22 Cl N O
• Calculated formula: C26 H22 Cl N O
• Title of publication: Hydrosilylation and Mukaiyama aldol-type reaction of quinolines and hydrosilylation of imines catalyzed by a mesoionic carbene-stabilized borenium ion.
• Authors of publication: Clarke, Joshua J.; Devaraj, Karthik; Bestvater, Brian P.; Kojima, Ryoto; Eisenberger, Patrick; DeJesus, Joseph F.; Crudden, Cathleen M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 31
• Pages of publication: 6786 - 6791
• a: 7.5536 ± 0.0003 Å
• b: 15.5289 ± 0.0006 Å
• c: 19.9941 ± 0.0007 Å
• α: 90°
• β: 98.847 ± 0.001°
• γ: 90°
• Cell volume: 2317.39 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0532
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No