Information card for entry 1507425

Structure parameters

• Formula: C32 H30 Si2
• Calculated formula: C32 H30 Si2
• SMILES: [Si](C#Cc1c2Cc3ccccc3Cc2c(c2cc3ccccc3cc12)C#C[Si](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: 5.833 ± 0.0012 Å
• b: 10.146 ± 0.002 Å
• c: 11.642 ± 0.002 Å
• α: 76.25 ± 0.03°
• β: 76.93 ± 0.03°
• γ: 84.99 ± 0.03°
• Cell volume: 651.5 ± 0.2 ų
• Cell temperature: 145 ± 1 K
• Ambient diffraction temperature: 145 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No