Information card for entry 1553098

Structure parameters

• Chemical name: 2,3-bis(4-chlorophenyl)-1,1-diphenyl-1H-benzo[b]silole
• Formula: C32 H22 Cl2 Si
• Calculated formula: C32 H22 Cl2 Si
• SMILES: Clc1ccc(cc1)C1=C([Si](c2c1cccc2)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
• Title of publication: Synthesis of silafluorenes and silaindenes via silyl radicals from arylhydrosilanes: intramolecular cyclization and intermolecular annulation with alkynes
• Authors of publication: Xu, Liang; Zhang, Shuai; Li, Pengfei
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 459
• a: 9.959 ± 0.0011 Å
• b: 24.396 ± 0.003 Å
• c: 11.0384 ± 0.0012 Å
• α: 90°
• β: 108.602 ± 0.001°
• γ: 90°
• Cell volume: 2541.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0494
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No