Information card for entry 7108785

Structure parameters

• Formula: C42 H53 F18 N4 O4 P
• Calculated formula: C42 H53 F18 N4 O4 P
• Title of publication: Anion recognition and transport properties of sulfamide-, phosphoric triamide- and thiophosphoric triamide-based receptors
• Authors of publication: Philippa B. Cranwell; Jennifer R. Hiscock; Cally J. E. Haynes; Mark E. Light; Neil J. Wells; Philip A. Gale
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 874 - 876
• a: 9.376 ± 0.005 Å
• b: 24.91 ± 0.013 Å
• c: 10.433 ± 0.005 Å
• α: 90°
• β: 92.512 ± 0.009°
• γ: 90°
• Cell volume: 2434 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No