Information card for entry 7152638

Structure parameters

• Formula: C31 H25 N O4 S2 Si
• Calculated formula: C31 H25 N O4 S2 Si
• SMILES: S1(=O)(=O)N(S(=O)(=O)c2c(c3c1ccc1ccccc31)c1ccccc1cc2)c1ccc(cc1)C#C[Si](C)(C)C
• Title of publication: 1,2-Di(phenylethynyl)ethenes with axially chiral, 2,2'-bridged 1,1'-binaphthyl substituents: potent cholesteric liquid-crystal inducers.
• Authors of publication: Wu, Yi-Lin; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Frank, Brian B.; Spada, Gian Piero; Diederich, François
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 39
• Pages of publication: 8016 - 8026
• a: 9.5751 ± 0.0003 Å
• b: 14.6142 ± 0.0005 Å
• c: 10.3886 ± 0.0003 Å
• α: 90°
• β: 102.503 ± 0.002°
• γ: 90°
• Cell volume: 1419.23 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No