Information card for entry 1548989

Structure parameters

• Chemical name: 4,8-dimethyl-4,8-diaza-12-oxatriangulenium hexafluorophosphate
• Formula: C21 H15 F6 N2 O P
• Calculated formula: C21 H15 F6 N2 O P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O1c2c3[C+]4c5c(N(C)c6c4c1ccc6)cccc5N(c3ccc2)C
• Title of publication: Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.
• Authors of publication: Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 3122 - 3130
• a: 6.861 ± 0.003 Å
• b: 10.695 ± 0.004 Å
• c: 23.818 ± 0.01 Å
• α: 90°
• β: 96.101 ± 0.014°
• γ: 90°
• Cell volume: 1737.8 ± 1.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• 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: 0.1018
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.2257
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No