Information card for entry 4025270

Structure parameters

• Formula: C70 H72 Cl6 F12 N2 O10 P2
• Calculated formula: C70 H72 Cl6 F12 N2 O10 P2
• Title of publication: Synthesis of a Triptycene-Derived Bisparaphenylene-34-crown-10 and Its Complexation with Both Paraquat and Cyclobis(paraquat-p-phenylene)
• Authors of publication: Yi Jiang; Jing Cao; Jian-Min Zhao; Jun-Feng Xiang; Chuan-Feng Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1767 - 1770
• a: 10.497 ± 0.002 Å
• b: 18.213 ± 0.004 Å
• c: 21.191 ± 0.006 Å
• α: 90°
• β: 107.47 ± 0.03°
• γ: 90°
• Cell volume: 3864.5 ± 1.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1457
• Residual factor for significantly intense reflections: 0.1358
• Weighted residual factors for significantly intense reflections: 0.3211
• Weighted residual factors for all reflections included in the refinement: 0.3261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No