Information card for entry 4113027

Structure parameters

• Formula: C52 H24 F18 O6
• Calculated formula: C54 H24 F18 O6
• Title of publication: Perfluorocyclobutyl-Linked Hexa-peri-hexabenzocoronene Networks
• Authors of publication: Bryan K. Spraul; S. Suresh; Sibylle Glaser; Dvora Perahia; John Ballato; Dennis W. Smith
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 12772 - 12773
• a: 16.051 ± 0.003 Å
• b: 10.755 ± 0.002 Å
• c: 27.697 ± 0.006 Å
• α: 90°
• β: 90.38 ± 0.03°
• γ: 90°
• Cell volume: 4781.2 ± 1.6 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• 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: 0.1016
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No