Information card for entry 1555916

Structure parameters

• Formula: C28 H28 N2 Si2
• Calculated formula: C28 H28 N2 Si2
• SMILES: c1(c2n3c(cc2c(c2n4ccccc4cc12)C#C[Si](C)(C)C)cccc3)C#C[Si](C)(C)C
• Title of publication: Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.
• Authors of publication: Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6050 - 6053
• a: 6.247 ± 0.0001 Å
• b: 22.6384 ± 0.0004 Å
• c: 8.7822 ± 0.0002 Å
• α: 90°
• β: 100.885 ± 0.001°
• γ: 90°
• Cell volume: 1219.65 ± 0.04 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0376
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No