Information card for entry 7102292

Structure parameters

• Formula: C40 H46 O4
• Calculated formula: C40 H46 O4
• Title of publication: A new functionalization strategy for pentacene.
• Authors of publication: Anthony, John E; Gierschner, Johannes; Landis, Chad A; Parkin, Sean R; Sherman, Jes B; Bakus Ii, Ronald C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 45
• Pages of publication: 4746 - 4748
• a: 17.5364 ± 0.0003 Å
• b: 17.7901 ± 0.0003 Å
• c: 21.6203 ± 0.0005 Å
• α: 90°
• β: 103.958 ± 0.0008°
• γ: 90°
• Cell volume: 6545.8 ± 0.2 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.1993
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No