Information card for entry 4114056

Structure parameters

• Common name: kfs06
• Formula: C34.25 H53 Br3 N3 O4.5
• Calculated formula: C34.25 H36 Br3 N3 O4.5
• Title of publication: Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts
• Authors of publication: Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9699 - 9715
• a: 11.8589 ± 0.0002 Å
• b: 16.2547 ± 0.0003 Å
• c: 19.7964 ± 0.0004 Å
• α: 84.524 ± 0.008°
• β: 77.22 ± 0.009°
• γ: 86.894 ± 0.008°
• Cell volume: 3702.34 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.107
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No