Information card for entry 7108193

Structure parameters

• Formula: C13 H8 F3 N Si
• Calculated formula: C13 H8 F3 N Si
• SMILES: [Si]1(F)(F)(F)[n]2cccc3ccc4cccc1c4c23
• Title of publication: Synthesis of benzo[h]quinoline-based neutral pentacoordinate organosilicon complexes
• Authors of publication: Yuichiro Tokoro; Hyeonuk Yeo; Kazuo Tanaka; Yoshiki Chujo
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8541
• a: 8.112 ± 0.0013 Å
• b: 14.615 ± 0.003 Å
• c: 9.2149 ± 0.0014 Å
• α: 90°
• β: 97.739 ± 0.004°
• γ: 90°
• Cell volume: 1082.5 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.0428
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No