Information card for entry 1505240

Structure parameters

• Formula: C26 H22 S2 Si2
• Calculated formula: C26 H22 S2 Si2
• SMILES: s1c2c([Si](c3cc4c([Si](c5c4sc4c5cccc4)(C)C)cc23)(C)C)c2c1cccc2
• 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: 8.9171 ± 0.0015 Å
• b: 10.8286 ± 0.0017 Å
• c: 11.756 ± 0.002 Å
• α: 90 ± 0.0007°
• β: 94.3574 ± 0.0007°
• γ: 90 ± 0.0007°
• Cell volume: 1131.9 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No