Information card for entry 7133924

Structure parameters

• Formula: C64 H48 Cl8 F8 O
• Calculated formula: C64 H48 Cl8 F8 O
• Title of publication: Synthesis and size-dependent properties of multiple sizes of chlorinated fluorocycloparaphenylenes.
• Authors of publication: Imoto, Daiki; Shudo, Hiroki; Mizukami, Kiichi; Kimizuka, Nobuo; Yagi, Akiko; Itami, Kenichiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 86
• Pages of publication: 12585 - 12588
• a: 18.3396 ± 0.0014 Å
• b: 12.3007 ± 0.0012 Å
• c: 28.775 ± 0.002 Å
• α: 90°
• β: 110.005 ± 0.008°
• γ: 90°
• Cell volume: 6099.7 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No