Information card for entry 7154953

Structure parameters

• Formula: C37 H37 F6 N9 O8 S4 Zn
• Calculated formula: C37 H37 F6 N9 O8 S4 Zn
• Title of publication: Cationic sulfonium functionalization renders Znsalens with high fluorescence, good water solubility and tunable cell-permeability.
• Authors of publication: Tang, Juan; Xie, Da; Yin, Hao-Yan; Jing, Jing; Zhang, Jun-Long
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3360 - 3368
• a: 13.1233 ± 0.0004 Å
• b: 14.4337 ± 0.0006 Å
• c: 14.5971 ± 0.0005 Å
• α: 114.179 ± 0.004°
• β: 93.853 ± 0.003°
• γ: 114.821 ± 0.004°
• Cell volume: 2191.8 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No