Information card for entry 4034857

Structure parameters

• Formula: C47.38 H28 O1.5
• Calculated formula: C47.375 H28 O1.5
• Title of publication: Functionalization of the "Bay Region" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.
• Authors of publication: Głodek, Marta; Makal, Anna; Plażuk, Damian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 22
• Pages of publication: 14165 - 14174
• a: 12.692 ± 0.0018 Å
• b: 12.8497 ± 0.0014 Å
• c: 19.663 ± 0.005 Å
• α: 94.683 ± 0.014°
• β: 107.646 ± 0.017°
• γ: 90.179 ± 0.01°
• Cell volume: 3044.4 ± 1 ų
• Cell temperature: 100.3 ± 0.1 K
• Ambient diffraction temperature: 100.3 ± 0.1 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: 0.2153
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.2665
• Weighted residual factors for all reflections included in the refinement: 0.3595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No