Information card for entry 4119142

Structure parameters

• Formula: C75 H68 F24 N6 P4
• Calculated formula: C75 H68 F24 N6 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: 10.14 ± 0.0003 Å
• b: 11.2521 ± 0.0003 Å
• c: 17.944 ± 0.0005 Å
• α: 72.2804 ± 0.0017°
• β: 86.5349 ± 0.0017°
• γ: 65.818 ± 0.0015°
• Cell volume: 1774.21 ± 0.09 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105.36 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: 0.0736
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No