Information card for entry 1502880

Structure parameters

• Formula: C114 H150 Si4
• Calculated formula: C114 H150 Si4
• Title of publication: Synthesis and stability of soluble hexacenes.
• Authors of publication: Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 2060 - 2063
• a: 10.6166 ± 0.0005 Å
• b: 14.4156 ± 0.0007 Å
• c: 17.9265 ± 0.0008 Å
• α: 110.544 ± 0.002°
• β: 93.866 ± 0.002°
• γ: 103.166 ± 0.002°
• Cell volume: 2468.7 ± 0.2 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.113
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2551
• Weighted residual factors for all reflections included in the refinement: 0.2709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No