Information card for entry 4024317

Structure parameters

• Formula: C65 H88 F12 N6 O14 P2
• Calculated formula: C65 H82 F12 N6 O14 P2
• Title of publication: Anion-Controlled Ion-Pair Recognition of Paraquat by a Bis(m-phenylene)-32-crown-10 Derivative Heteroditopic Host
• Authors of publication: Kelong Zhu; Shijun Li; Feng Wang; Feihe Huang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1322 - 1328
• a: 11.224 ± 0.003 Å
• b: 13.322 ± 0.003 Å
• c: 24.853 ± 0.006 Å
• α: 92.41 ± 0.007°
• β: 94.883 ± 0.006°
• γ: 90.353 ± 0.007°
• Cell volume: 3699 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.3018
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2403
• Weighted residual factors for all reflections included in the refinement: 0.3331
• Goodness-of-fit parameter for all reflections included in the refinement: 0.756
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No