Information card for entry 1557107

Structure parameters

• Formula: C16 H19 I N2
• Calculated formula: C16 H19 I N2
• SMILES: [I-].[n+]1(ccc(/C=C/c2ccc(N(C)C)cc2)cc1)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: 6.29025 ± 0.00014 Å
• b: 7.62301 ± 0.00017 Å
• c: 32.0065 ± 0.0007 Å
• α: 90°
• β: 90.1584 ± 0.0019°
• γ: 90°
• Cell volume: 1534.73 ± 0.06 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No