Information card for entry 1508851

Structure parameters

• Formula: C36 H48 S4 Si2
• Calculated formula: C36 H48 S4 Si2
• SMILES: c12c(c3c(c4c5c(c6c(c14)scc6)ccs5)sc(c3)[Si](C(C)C)(C(C)C)C(C)C)cc(s2)[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Sequential Electrophilic and Photochemical Cyclizations from Bis(bithienyl)acetylene to a Tetrathienonaphthalene Core.
• Authors of publication: Dou, Chuandong; Saito, Shohei; Gao, Libin; Matsumoto, Naoki; Karasawa, Takashi; Zhang, Hongyu; Fukazawa, Aiko; Yamaguchi, Shigehiro
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 80 - 83
• a: 7.5456 ± 0.0011 Å
• b: 12.1175 ± 0.0017 Å
• c: 19.49 ± 0.003 Å
• α: 80.956 ± 0.004°
• β: 88.114 ± 0.004°
• γ: 87.511 ± 0.004°
• Cell volume: 1757.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No