Information card for entry 7133925

Structure parameters

• Formula: C37 H14 Cl8 F6
• Calculated formula: C37 H14 Cl8 F6
• 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: 11.9887 ± 0.0005 Å
• b: 11.9887 ± 0.0005 Å
• c: 39.3782 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4901.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No