Information card for entry 7112471

Structure parameters

• Formula: C56 H86 Cl2 F18 N5 O2 P
• Calculated formula: C56 H86 Cl2 F18 N5 O2 P
• Title of publication: Anion recognition and transport properties of sulfamide-, phosphoric triamide- and thiophosphoric triamide-based receptors.
• Authors of publication: Cranwell, Philippa B.; Hiscock, Jennifer R.; Haynes, Cally J. E.; Light, Mark E.; Wells, Neil J.; Gale, Philip A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 874 - 876
• a: 13.788 ± 0.008 Å
• b: 18.964 ± 0.01 Å
• c: 25.385 ± 0.014 Å
• α: 90°
• β: 102.004 ± 0.011°
• γ: 90°
• Cell volume: 6492 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2162
• Residual factor for significantly intense reflections: 0.1408
• Weighted residual factors for significantly intense reflections: 0.2774
• Weighted residual factors for all reflections included in the refinement: 0.321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108786
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No