Information card for entry 4122994

Structure parameters

• Formula: C11 H15 N O2
• Calculated formula: C11 H15 N O2
• SMILES: O[C@H]1[C@@H](c2c(NC1)cccc2)[C@@H](O)C
• Title of publication: Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.
• Authors of publication: Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141120154130001
• a: 5.8577 ± 0.0003 Å
• b: 6.6735 ± 0.0003 Å
• c: 12.7807 ± 0.0006 Å
• α: 90°
• β: 98.084 ± 0.003°
• γ: 90°
• Cell volume: 494.65 ± 0.04 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No