Information card for entry 1504257

Structure parameters

• Formula: C24 H24 N2 S Si2
• Calculated formula: C24 H24 N2 S Si2
• SMILES: c1(c2c(c(c3cc4ccccc4cc13)C#C[Si](C)(C)C)nsn2)C#C[Si](C)(C)C
• 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: 11.17 ± 0.009 Å
• b: 31.41 ± 0.02 Å
• c: 6.923 ± 0.005 Å
• α: 90°
• β: 103.83 ± 0.03°
• γ: 90°
• Cell volume: 2359 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3771
• Residual factor for significantly intense reflections: 0.1355
• Weighted residual factors for significantly intense reflections: 0.2752
• Weighted residual factors for all reflections included in the refinement: 0.3729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No