Information card for entry 1505242

Structure parameters

• Formula: C26 H22 Se2 Si2
• Calculated formula: C26 H22 Se2 Si2
• SMILES: c1cccc2c1[Si](c1c2[se]c2c1cc1c(c2)c2c([se]1)c1c([Si]2(C)C)cccc1)(C)C
• 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: 8.8891 ± 0.0016 Å
• b: 9.8528 ± 0.0018 Å
• c: 26.162 ± 0.005 Å
• α: 90 ± 0.001°
• β: 90.8205 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 2291.1 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No