Information card for entry 4028117

Structure parameters

• Formula: C128 H144 F24 N4 O20 P4
• Calculated formula: C128 H144 F24 N4 O20 P4
• Title of publication: Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host
• Authors of publication: Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 3235 - 3242
• a: 39.83 ± 0.008 Å
• b: 15.198 ± 0.003 Å
• c: 25.284 ± 0.005 Å
• α: 90°
• β: 108.23 ± 0.03°
• γ: 90°
• Cell volume: 14537 ± 6 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: 0.1569
• Residual factor for significantly intense reflections: 0.1292
• Weighted residual factors for significantly intense reflections: 0.325
• Weighted residual factors for all reflections included in the refinement: 0.3404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No