Information card for entry 7026948

Structure parameters

• Formula: C34 H25 F3 N3 O3 P S
• Calculated formula: C34 H25 F3 N3 O3 P S
• SMILES: P1=[N+]2c3ccccc3CCc3nc(CCc4c(N1C1=C2c2c5c1cccc5ccc2)cccc4)ccc3.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A new approach to internal Lewis pairs featuring a phosphenium acid and a pyridine base.
• Authors of publication: Brazeau, Allison L.; Caputo, Christine A.; Martin, Caleb D.; Jones, Nathan D.; Ragogna, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 11069 - 11073
• a: 15.975 ± 0.003 Å
• b: 16.35 ± 0.003 Å
• c: 16.581 ± 0.003 Å
• α: 117.72 ± 0.03°
• β: 105.64 ± 0.03°
• γ: 103.78 ± 0.03°
• Cell volume: 3339 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No