Information card for entry 7150410

Structure parameters

• Formula: C45 H53 F18 N6 O4 P3
• Calculated formula: C45 H45 F18 N6 O3 P3
• Title of publication: Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.
• Authors of publication: Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 781 - 786
• a: 11.1149 ± 0.0015 Å
• b: 30.678 ± 0.003 Å
• c: 15.2165 ± 0.0019 Å
• α: 90°
• β: 90.413 ± 0.005°
• γ: 90°
• Cell volume: 5188.4 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.2538
• Residual factor for significantly intense reflections: 0.1203
• Weighted residual factors for significantly intense reflections: 0.279
• Weighted residual factors for all reflections included in the refinement: 0.355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No