Information card for entry 1507426

Structure parameters

• Formula: C38 H42 Si2
• Calculated formula: C38 H42 Si2
• SMILES: [Si](C#Cc1c2cc3ccccc3cc2c(c2cc3ccccc3cc12)C#C[Si](C)(C)C(C)(C)C)(C)(C)C(C)(C)C
• 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: 7.819 ± 0.0016 Å
• b: 13.569 ± 0.003 Å
• c: 16.508 ± 0.003 Å
• α: 70 ± 0.03°
• β: 85.08 ± 0.03°
• γ: 74.12 ± 0.03°
• Cell volume: 1582.9 ± 0.7 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No