Information card for entry 1548991

Structure parameters

• Chemical name: '8,12,12-trimethyl-8,12-dihydro-3a2H-benzo[8,1]isochromeno[3,4,5,6-klmn] acridinium hexafluorophosphate'
• Formula: C23 H18 F6 N O P
• Calculated formula: C23 H18 F6 N O P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O1c2cccc3[n+](C)c4c5c(c6c1cccc6C(C)(C)c5ccc4)c23
• 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: 14.162 ± 0.003 Å
• b: 15.264 ± 0.004 Å
• c: 20.039 ± 0.005 Å
• α: 87.939 ± 0.005°
• β: 85.555 ± 0.008°
• γ: 62.365 ± 0.008°
• Cell volume: 3826.1 ± 1.6 ų
• Cell temperature: 122.4 K
• Ambient diffraction temperature: 122.4 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2891
• Residual factor for significantly intense reflections: 0.2362
• Weighted residual factors for significantly intense reflections: 0.5448
• Weighted residual factors for all reflections included in the refinement: 0.5657
• Goodness-of-fit parameter for all reflections included in the refinement: 2.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No