Information card for entry 1508852

Structure parameters

• Formula: C36 H49 I S4 Si2
• Calculated formula: C36 H49 I S4 Si2
• SMILES: c12sccc1c1cc(sc1c(c2c1sc(cc1c1ccsc1)[Si](C(C)C)(C(C)C)C(C)C)I)[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: 8.5863 ± 0.0013 Å
• b: 12.175 ± 0.0018 Å
• c: 18.897 ± 0.003 Å
• α: 92.036 ± 0.002°
• β: 96.456 ± 0.002°
• γ: 98.521 ± 0.003°
• Cell volume: 1938.5 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No