Information card for entry 1504166

Structure parameters

• Formula: C392 H360 F48 N8 O48 P8
• Calculated formula: C384 H320 F36 N8 O46 P6
• Title of publication: Complexation of a pentiptycene-based tweezer-like receptor with paraquat derivatives: ion-controlled binding and release of the guests.
• Authors of publication: Cao, Jing; Lu, Hai-Yan; You, Xiao-Jun; Zheng, Qi-Yu; Chen, Chuan-Feng
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 4446 - 4449
• a: 16 ± 0.003 Å
• b: 24.7 ± 0.005 Å
• c: 24.3 ± 0.005 Å
• α: 90°
• β: 103.4 ± 0.03°
• γ: 90°
• Cell volume: 9342 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1706
• Residual factor for significantly intense reflections: 0.1456
• Weighted residual factors for significantly intense reflections: 0.3937
• Weighted residual factors for all reflections included in the refinement: 0.4149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.521
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No