Information card for entry 4024319

Structure parameters

• Formula: C62 H70 F6 N4 O18
• Calculated formula: C62 H70 F6 N4 O18
• 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: 29.399 ± 0.006 Å
• b: 11.476 ± 0.002 Å
• c: 20.644 ± 0.004 Å
• α: 90°
• β: 109.29 ± 0.03°
• γ: 90°
• Cell volume: 6574 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.2186
• Residual factor for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections: 0.3031
• Weighted residual factors for significantly intense reflections: 0.2573
• Weighted residual factors for all reflections included in the refinement: 0.2573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No