Information card for entry 1554719

Structure parameters

• Formula: C30 H44 F4 N2 S2 Si2
• Calculated formula: C30 H44 F4 N2 S2 Si2
• SMILES: s1c([Si](C(C)C)(C(C)C)C(C)C)ncc1c1c(F)c(F)c(c(F)c1F)c1sc([Si](C(C)C)(C(C)C)C(C)C)nc1
• Title of publication: Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives
• Authors of publication: Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 780
• a: 19.9633 ± 0.0007 Å
• b: 12.2859 ± 0.0004 Å
• c: 13.3676 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3278.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No