Information card for entry 7127611

Structure parameters

• Formula: C176 H220 O8
• Calculated formula: C176 H220 O8
• Title of publication: Synthesis and crystal packing of perylene-derivatives with extreme sterically demanding pentaphenylbenzene bay-substituents.
• Authors of publication: Dusold, Carolin; Weiss, Corinna; Hampel, Frank; Hirsch, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 583 - 586
• a: 15.3455 ± 0.0004 Å
• b: 18.7629 ± 0.0005 Å
• c: 28.321 ± 0.0005 Å
• α: 105.764 ± 0.002°
• β: 95.876 ± 0.002°
• γ: 95.998 ± 0.002°
• Cell volume: 7731.5 ± 0.3 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 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: 0.1572
• Residual factor for significantly intense reflections: 0.1307
• Weighted residual factors for significantly intense reflections: 0.3528
• Weighted residual factors for all reflections included in the refinement: 0.3996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.537
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No