Information card for entry 4027048

Structure parameters

• Formula: C94 H107 F24 N5 O12 P4
• Calculated formula: C94 H107 F24 N5 O12 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: 28.868 ± 0.006 Å
• b: 16.245 ± 0.003 Å
• c: 48.477 ± 0.01 Å
• α: 90°
• β: 106.04 ± 0.03°
• γ: 90°
• Cell volume: 21849 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1843
• Residual factor for significantly intense reflections: 0.1362
• Weighted residual factors for significantly intense reflections: 0.3203
• Weighted residual factors for all reflections included in the refinement: 0.3434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.631
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No