Information card for entry 1548992

Structure parameters

• Chemical name: 4,8,12,12-tetramethyl-8,12-dihydrobenzo[8,1]isoquinolino[3,4,5,6-klmn]acridinium hexafluorophosphate
• Formula: C24 H21 F6 N2 P
• Calculated formula: C24 H21 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].c12c3c4c5[n+](c1cccc2n(c1c3c(ccc1)C(c4ccc5)(C)C)C)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: 14.5591 ± 0.0008 Å
• b: 21.6499 ± 0.0015 Å
• c: 13.0273 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4106.2 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No