Information card for entry 7155095

Structure parameters

• Formula: C23 H30 Cl N O2 S Si2
• Calculated formula: C23 H30 Cl N O2 S Si2
• SMILES: Clc1cc([Si](C)(C)C)c(C#C[Si](C)(C)C)c2c1CN(S(=O)(=O)c1ccc(cc1)C)C2
• Title of publication: Hydrohalogenative aromatization of multiynes promoted by ruthenium alkylidene complexes.
• Authors of publication: Karmakar, Rajdip; Wang, Kung-Pern; Yun, Sang Young; Mamidipalli, Phani; Lee, Daesung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 4782 - 4788
• a: 11.592 ± 0.002 Å
• b: 11.7363 ± 0.0013 Å
• c: 11.788 ± 0.0013 Å
• α: 118.728 ± 0.001°
• β: 104.041 ± 0.002°
• γ: 100.602 ± 0.002°
• Cell volume: 1276.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No