Information card for entry 1551477

Structure parameters

• Chemical name: 20180713-A2
• Formula: C48 H32 F2 N4
• Calculated formula: C48 H32 F2 N4
• SMILES: Fc1c(/C=C/c2cc(N(c3ccccc3)c3ccccc3)c(cc2N(c2ccccc2)c2ccccc2)/C=C/c2ccc(cc2F)C#N)ccc(c1)C#N
• Title of publication: Organic nanoparticles with ultrahigh stimulated emission depletion efficiency for low-power STED nanoscopy.
• Authors of publication: Man, Zhongwei; Lv, Zheng; Xu, Zhenzhen; Cui, Hongtu; Liao, Qing; Zheng, Lemin; Jin, Xue; He, Qihua; Fu, Hongbing
• Journal of publication: Nanoscale
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 27
• Pages of publication: 12990 - 12996
• a: 17.1059 ± 0.0004 Å
• b: 14.9921 ± 0.0004 Å
• c: 14.7772 ± 0.0004 Å
• α: 90°
• β: 95.317 ± 0.002°
• γ: 90°
• Cell volume: 3773.36 ± 0.17 ų
• Cell temperature: 296.96 ± 0.1 K
• Ambient diffraction temperature: 296.96 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2855
• Weighted residual factors for all reflections included in the refinement: 0.3057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No