Information card for entry 1504258

Structure parameters

• Formula: C30 H36 N2 S Si2
• Calculated formula: C30 H36 N2 S Si2
• SMILES: c12c(c3cc4ccccc4cc3c(c1nsn2)C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC
• Title of publication: Alkynylated aceno[2,1,3]thiadiazoles.
• Authors of publication: Appleton, Anthony Lucas; Miao, Shaobin; Brombosz, Scott M.; Berger, Nancy J.; Barlow, Stephen; Marder, Seth R.; Lawrence, Brian M.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 5222 - 5225
• a: 6.9544 ± 0.0016 Å
• b: 34.474 ± 0.008 Å
• c: 11.839 ± 0.002 Å
• α: 90°
• β: 90.203 ± 0.018°
• γ: 90°
• Cell volume: 2838.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.2408
• Residual factor for significantly intense reflections: 0.1371
• Weighted residual factors for significantly intense reflections: 0.3237
• Weighted residual factors for all reflections included in the refinement: 0.3754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No