Information card for entry 7004241

Structure parameters

• Common name: 3-Tert.-butyl-(1,5-a)-pyridine-(1,3,2)-diazaphospholenium- triflate
• Chemical name: 3-Tert.-butyl-[1,5-a]-pyridine-[1,3,2]-diazaphospholenium- triflate
• Formula: C11 H14 F3 N2 O3 P S
• Calculated formula: C11 H14 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: 18.492 ± 0.002 Å
• b: 10.685 ± 0.001 Å
• c: 15.309 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3024.9 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No