Information card for entry 1507106

Structure parameters

• Formula: C48 H54 O4 Si2
• Calculated formula: C48 H54 O4 Si2
• SMILES: [Si](C#Cc1c2cc3cc4OC=COc4cc3cc2c(c2cc3cc4OC=COc4cc3cc12)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)(C(C)C)C(C)C
• Title of publication: Robust, soluble pentacene ethers.
• Authors of publication: Payne, Marcia M.; Delcamp, Jared H.; Parkin, Sean R.; Anthony, John E.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 1609 - 1612
• a: 9.555 ± 0.0002 Å
• b: 9.909 ± 0.0003 Å
• c: 11.76 ± 0.0004 Å
• α: 73.458 ± 0.0012°
• β: 83.933 ± 0.0012°
• γ: 73.332 ± 0.0012°
• Cell volume: 1022.16 ± 0.05 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No