Information card for entry 7152956

Structure parameters

• Formula: C35 H56 F6 N O9 P
• Calculated formula: C35 H56 F6 N O9 P
• Title of publication: Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.
• Authors of publication: Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 3880 - 3885
• a: 12.7822 ± 0.0007 Å
• b: 15.427 ± 0.0008 Å
• c: 19.5317 ± 0.001 Å
• α: 90°
• β: 91.937 ± 0.005°
• γ: 90°
• Cell volume: 3849.3 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No