Information card for entry 1505244

Structure parameters

• Formula: C26 H22 O4 S2 Si2
• Calculated formula: C26 H22 O4 S2 Si2
• SMILES: S1(=O)(=O)c2cc3c(S(=O)(=O)C4=C3[Si](c3c4cccc3)(C)C)cc2C2=C1c1c([Si]2(C)C)cccc1
• Title of publication: Ladder distyrylbenzenes with silicon and chalcogen bridges: synthesis, structures, and properties.
• Authors of publication: Mouri, Kazuhiro; Wakamiya, Atsushi; Yamada, Hiroshi; Kajiwara, Takashi; Yamaguchi, Shigehiro
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 93 - 96
• a: 9.057 ± 0.003 Å
• b: 13.776 ± 0.004 Å
• c: 10.813 ± 0.004 Å
• α: 90 ± 0.0009°
• β: 113.927 ± 0.0011°
• γ: 90 ± 0.0009°
• Cell volume: 1233.2 ± 0.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No