Information card for entry 2234785

Structure parameters

• Chemical name: 4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium hexafluoridophosphate
• Formula: C18 H19 F6 N2 O P
• Calculated formula: C18 H19 F6 N2 O P
• Title of publication: 4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium hexafluoridophosphate
• Authors of publication: Xue, Hua Yu; Wang, Shi Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1382
• a: 24.912 ± 0.011 Å
• b: 10.757 ± 0.005 Å
• c: 14.925 ± 0.007 Å
• α: 90°
• β: 91.07 ± 0.03°
• γ: 90°
• Cell volume: 3999 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes