Information card for entry 7224442

Structure parameters

• Formula: C120 H146 F24 N6 O24 P4 S3
• Calculated formula: C120 H146 F24 N6 O24 P4 S3
• Title of publication: Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons
• Authors of publication: Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4900
• a: 15.109 ± 0.003 Å
• b: 15.144 ± 0.003 Å
• c: 16.813 ± 0.003 Å
• α: 79.04 ± 0.03°
• β: 69.65 ± 0.03°
• γ: 60.46 ± 0.03°
• Cell volume: 3137.2 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1569
• Residual factor for significantly intense reflections: 0.1348
• Weighted residual factors for significantly intense reflections: 0.3371
• Weighted residual factors for all reflections included in the refinement: 0.3623
• Goodness-of-fit parameter for all reflections included in the refinement: 2.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No