Information card for entry 7121020

Structure parameters

• Formula: C27 H36 N2 O Si
• Calculated formula: C27 H36 N2 O Si
• SMILES: [Si]1(C(C)C)(CC2(C(=O)N(c3c(cccc3)C2=NC1(C)C)Cc1ccccc1)C)C(C)C
• Title of publication: An access to 1,3-azasiline-fused quinolinones via oxidative heteroannulation involving silyl C(sp³)-H functionalization.
• Authors of publication: Wu, Li-Jun; Yang, Yuan; Song, Ren-Jie; Yu, Jiang-Xi; Li, Jin-Heng; He, De-Liang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1367 - 1370
• a: 12.787 ± 0.002 Å
• b: 16.559 ± 0.003 Å
• c: 11.9492 ± 0.0018 Å
• α: 90°
• β: 95.643 ± 0.003°
• γ: 90°
• Cell volume: 2517.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No