Information card for entry 7152958

Structure parameters

• Formula: C36 H58 F6 N O9 P
• Calculated formula: C36 H58 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: 9.3855 ± 0.0006 Å
• b: 21.1336 ± 0.0013 Å
• c: 20.3716 ± 0.0013 Å
• α: 90°
• β: 96.47 ± 0.005°
• γ: 90°
• Cell volume: 4015 ± 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: 0.1074
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No