Information card for entry 4027049

Structure parameters

• Formula: C88 H96 F24 N4 O16 P4
• Calculated formula: C88 H96 F24 N4 O16 P4
• Title of publication: Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes
• Authors of publication: Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 2422 - 2430
• a: 13.274 ± 0.002 Å
• b: 16.473 ± 0.003 Å
• c: 21.939 ± 0.004 Å
• α: 73.342 ± 0.012°
• β: 76.401 ± 0.012°
• γ: 71.387 ± 0.011°
• Cell volume: 4300.7 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1797
• Residual factor for significantly intense reflections: 0.1456
• Weighted residual factors for significantly intense reflections: 0.3436
• Weighted residual factors for all reflections included in the refinement: 0.3608
• Goodness-of-fit parameter for all reflections included in the refinement: 2.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No