Information card for entry 1504111

Structure parameters

• Common name: 2-biphenylBS
• Chemical name: 2-(4-Biphenyl)-1,1-dimethylbenzo[b]silole
• Formula: C22 H20 Si
• Calculated formula: C22 H20 Si
• SMILES: [Si]1(C(=Cc2ccccc12)c1ccc(cc1)c1ccccc1)(C)C
• Title of publication: Synthesis of benzo[b]siloles via KH-promoted cyclization of (2-alkynylphenyl)silanes.
• Authors of publication: Ilies, Laurean; Tsuji, Hayato; Nakamura, Eiichi
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 3966 - 3968
• a: 9.318 ± 0.005 Å
• b: 9.838 ± 0.007 Å
• c: 10.808 ± 0.007 Å
• α: 77.76 ± 0.03°
• β: 68.27 ± 0.03°
• γ: 70.39 ± 0.03°
• Cell volume: 862.6 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No