Information card for entry 1557109

Structure parameters

• Formula: C17 H18 I N2
• Calculated formula: C17 H18 I N2
• SMILES: [I-].N(c1ccc(cc1)/C=C/c1cc[n+](CC)cc1)(C)C
• Title of publication: A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells
• Authors of publication: Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 661 - 670
• a: 6.9063 ± 0.0002 Å
• b: 7.9318 ± 0.0002 Å
• c: 30.157 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1651.98 ± 0.07 ų
• Cell temperature: 173 ± 0.02 K
• Ambient diffraction temperature: 173 ± 0.02 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No