Information card for entry 4313184

Structure parameters

• Formula: C20 H20 F3 N2 O3 P S
• Calculated formula: C20 H20 F3 N2 O3 P S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.P([n+]1ccc(N(C)C)cc1)(c1ccccc1)c1ccccc1
• Title of publication: Nitrogen Ligands on Phosphorus(III) Lewis Acceptors: A Versatile New Synthetic Approach to Unusual N-P Structural Arrangements
• Authors of publication: Neil Burford; Pierre Losier; Andrew D. Phillips; Paul J. Ragogna; T. Stanley Cameron
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1087 - 1091
• a: 10.826 ± 0.003 Å
• b: 23.633 ± 0.004 Å
• c: 8.41 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2151.7 ± 1 ų
• Cell temperature: 238 K
• Ambient diffraction temperature: 238 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections: 1.948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.95
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No