Information card for entry 1503970

Structure parameters

• Formula: C38 H50 S Si2
• Calculated formula: C38 H50 S Si2
• SMILES: s1ccc2c1c(c1cc3c(c(c(c(c3cc1c2C#C[Si](C)(C)C)CCC)CCC)CCC)CCC)C#C[Si](C)(C)C
• Title of publication: Zirconium-mediated coupling reaction for synthesis of substituted thiophene-fused acenes.
• Authors of publication: Ni, Yang; Nakajima, Kiyohiko; Kanno, Ken-ichiro; Takahashi, Tamotsu
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 3702 - 3705
• a: 10.052 ± 0.003 Å
• b: 17.403 ± 0.007 Å
• c: 20.696 ± 0.009 Å
• α: 90°
• β: 99.771 ± 0.012°
• γ: 90°
• Cell volume: 3568 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.2185
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No