Information card for entry 7050726

Structure parameters

• Formula: C13 H25 F6 K N O4 P
• Calculated formula: C13 H25 F6 K N O4 P
• SMILES: [K]1234[O]5CC[O]1CC[O]2CC[O]3CC[N]4(CC=C)CC5.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: C-Donor lariat ether 'scorpionates'
• Authors of publication: Arya, Pious; Channa, Asif; Cragg, Peter J.; Prince, Paul D.; Steed, Jonathan W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 440
• a: 10.8857 ± 0.0003 Å
• b: 16.4547 ± 0.0006 Å
• c: 11.2887 ± 0.0004 Å
• α: 90°
• β: 100.677 ± 0.002°
• γ: 90°
• Cell volume: 1987.04 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No