Information card for entry 1507427

Structure parameters

• Formula: C38 H42 Si2
• Calculated formula: C38 H42 Si2
• SMILES: [Si](C#Cc1c2cc3cc4ccccc4cc3cc2c(c2ccccc12)C#C[Si](CC)(CC)CC)(CC)(CC)CC
• Title of publication: A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives
• Authors of publication: Anthony, John E.; Eaton, David L.; Parkin, Sean R.
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 15
• a: 30.511 ± 0.002 Å
• b: 7.387 ± 0.0005 Å
• c: 32.106 ± 0.002 Å
• α: 90°
• β: 118.186 ± 0.0019°
• γ: 90°
• Cell volume: 6378.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No