Information card for entry 4119148

Structure parameters

• Formula: C86 H73 F24 N11 P4
• Calculated formula: C86 H73 F24 N11 P4
• Title of publication: ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger
• Authors of publication: Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 183 - 192
• a: 10.5729 ± 0.0006 Å
• b: 14.3172 ± 0.0007 Å
• c: 14.7328 ± 0.0008 Å
• α: 102.508 ± 0.003°
• β: 93.376 ± 0.003°
• γ: 109.336 ± 0.003°
• Cell volume: 2033.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.97 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: 0.0862
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No