Information card for entry 7129705

Structure parameters

• Formula: C108.25 H60.25 Cl0.75
• Calculated formula: C108.25 H60.25 Cl0.75
• Title of publication: Pressure-induced ratiometric signalling chemosensor. A case of helical anthracenes
• Authors of publication: Kinoshita, Tomokazu; Fujise, Kei; Tsurumaki, Eiji; Toyota, Shinji; Fukuhara, Gaku
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.8813 ± 0.0002 Å
• b: 14.7875 ± 0.0001 Å
• c: 19.01 ± 0.0002 Å
• α: 91.204 ± 0.001°
• β: 99.318 ± 0.001°
• γ: 106.035 ± 0.001°
• Cell volume: 3426 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0588
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No