Information card for entry 1516834

Structure parameters

• Formula: C51 H52 O6
• Calculated formula: C51 H52 O6
• Title of publication: Synthesis and optical properties of dioxolane-functionalized hexacenes and heptacenes.
• Authors of publication: Bruzek, Matthew J.; Anthony, John E.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 3608 - 3610
• a: 6.0151 ± 0.0001 Å
• b: 17.0075 ± 0.0003 Å
• c: 20.7444 ± 0.0003 Å
• α: 90°
• β: 95.875 ± 0.001°
• γ: 90°
• Cell volume: 2111.04 ± 0.06 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: 0.0773
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No