Information card for entry 1548990

Structure parameters

• Chemical name: 12,12-dimethylbenzo[8,1]isochromeno[3,4,5,6-klmn]xanthenium hexafluorophosphate
• Formula: C22 H15 F6 O2 P
• Calculated formula: C22 H15 F6 O2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O1c2c3c(C(C)(C)c4cccc5Oc6c([C+]3c45)c1ccc6)ccc2
• 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: 8.4805 ± 0.0005 Å
• b: 8.5013 ± 0.0004 Å
• c: 14.7698 ± 0.0008 Å
• α: 74.017 ± 0.002°
• β: 89.013 ± 0.002°
• γ: 64.503 ± 0.002°
• Cell volume: 917.65 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No