Information card for entry 1507837

Structure parameters

• Formula: C17 H20 F6 N3 P
• Calculated formula: C17 H20 F6 N3 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].n1(c2ccc(N(CC)CC)cc2)c[n+]2c(cccc2)c1
• Title of publication: Fluorescence switching of imidazo[1,5-a]pyridinium ions: pH-sensors with dual emission pathways.
• Authors of publication: Hutt, Johnathon T.; Jo, Junyong; Olasz, András; Chen, Chun-Hsing; Lee, Dongwhan; Aron, Zachary D.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 3162 - 3165
• a: 24.3719 ± 0.0019 Å
• b: 10.2345 ± 0.0007 Å
• c: 14.8466 ± 0.0011 Å
• α: 90°
• β: 99.345 ± 0.001°
• γ: 90°
• Cell volume: 3654.1 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections: 0.2454
• Weighted residual factors for significantly intense reflections: 0.2263
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No