Information card for entry 7150413

Structure parameters

• Formula: C48 H60 Br3 N6 O4.5
• Calculated formula: C48 H60 Br3 N6 O4.5
• 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: 10.6106 ± 0.0004 Å
• b: 12.4052 ± 0.0005 Å
• c: 20.5253 ± 0.0005 Å
• α: 82.503 ± 0.002°
• β: 78.979 ± 0.002°
• γ: 72.937 ± 0.002°
• Cell volume: 2527.14 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No