Information card for entry 2311860

Structure parameters

• Chemical name: 1,1-Bis(benzo[<i>b</i>]thiophen-2-yl)-3-(trimethylsilyl)prop-2-yn-1-ol
• Formula: C22 H20 O S2 Si
• Calculated formula: C22 H20 O S2 Si
• Title of publication: Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane.
• Authors of publication: Katzsch, Felix; Gruber, Tobias; Weber, Edwin
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2016
• Journal volume: 72
• Journal issue: Pt 9
• Pages of publication: 679 - 684
• a: 19.3755 ± 0.0005 Å
• b: 17.0998 ± 0.0004 Å
• c: 5.9656 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1976.51 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No