Information card for entry 7053486

Structure parameters

• Formula: C26 H32 F6 N3 O5 P
• Calculated formula: C26 H32 F6 N3 O5 P
• SMILES: O(c1cccc2cccnc12)CCOCCOCCOCCOc1cccc2cccnc12.[NH4+].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Surprisingly stable ammonium ion complex of a non-cyclic crown-type polyether: solid and solution studies
• Authors of publication: Park, Ki-Min; Kim, Hyun Jee; Moon, Suk-Hee; Vittal, Jagadese J.; Jung, Jong Hwa; Lee, Shim Sung
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 603
• a: 9.7803 ± 0.0006 Å
• b: 18.3376 ± 0.0012 Å
• c: 16.0545 ± 0.0011 Å
• α: 90°
• β: 101.608 ± 0.001°
• γ: 90°
• Cell volume: 2820.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No