Information card for entry 7004240

Structure parameters

• Common name: 3-(2,6-Diisopropylphenyl)-(1,5-a)-pyridine-(1,3,2)- diazaphospholenium-triflate
• Chemical name: 3-(2,6-Diisopropylphenyl)-(1,5-a]-pyridine-[1,3,2]- diazaphospholenium-triflate
• Formula: C19 H22 F3 N2 O3 P S
• Calculated formula: C19 H22 F3 N2 O3 P S
• Title of publication: Pyrido-annellated diazaphospholenes and phospholenium ions
• Authors of publication: Benkő, Zoltán; Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Nyulászi, László; Shore, Nicholas
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4937 - 4945
• a: 16.983 ± 0.002 Å
• b: 16.983 ± 0.002 Å
• c: 16.983 ± 0.002 Å
• α: 57.3 ± 0.01°
• β: 57.3 ± 0.01°
• γ: 57.3 ± 0.01°
• Cell volume: 3248.3 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :R
• Hall space group symbol: P 3* -2n
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No