Information card for entry 7108194

Structure parameters

• Formula: C30 H21 N Si
• Calculated formula: C30 H21 N Si
• SMILES: n1cccc2ccc3cccc(c3c12)[Si](C)(C#Cc1ccccc1)C#Cc1ccccc1
• 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: 13.1959 ± 0.0011 Å
• b: 19.4826 ± 0.0015 Å
• c: 35.67 ± 0.003 Å
• α: 90°
• β: 92.882 ± 0.003°
• γ: 90°
• Cell volume: 9158.8 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.134
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No