Information card for entry 7101106

Structure parameters

• Formula: C40 H60 Si4
• Calculated formula: C40 H60 Si4
• Title of publication: A Soluble Pentacene: Synthesis, EPR and Electrochemical Studies of 2,3,9,10-Tetrakis(trimethylsilyl)pentacene
• Authors of publication: Henry N.C. Wong; Siu Hin Chan; Xiao-Ming Chen; Nan Yan Fu; Hung Kay Lee; Yu Man Wang
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 1
• a: 16.574 ± 0.004 Å
• b: 13.868 ± 0.003 Å
• c: 18.762 ± 0.004 Å
• α: 90°
• β: 95.71 ± 0.02°
• γ: 90°
• Cell volume: 4291.2 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No