Information card for entry 7152666

Structure parameters

• Formula: C35 H40 Cl2 S8 Si2
• Calculated formula: C35 H40 Cl2 S8 Si2
• SMILES: ClCCl.S1C(=C(SC1=C(C(=C1SC(=C(S1)SC)SC)c1ccc(cc1)C#C[Si](C)(C)C)c1ccc(cc1)C#C[Si](C)(C)C)SC)SC
• Title of publication: Conformational control of TTFV π-frameworks through naphthyl substituents.
• Authors of publication: Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 38
• Pages of publication: 7673 - 7676
• a: 8.853 ± 0.007 Å
• b: 15.935 ± 0.013 Å
• c: 17.189 ± 0.014 Å
• α: 113.95 ± 0.004°
• β: 100.455 ± 0.008°
• γ: 100.051 ± 0.009°
• Cell volume: 2095 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No