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Information card for entry 1557107
Preview
| Coordinates | 1557107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557107.cif |
| 257424 | 2020-10-06 | cif/ Updating files of 1557107, 1557108, 1557109 Original log message: Adding full bibliography for 1557107--1557109.cif. |
1557107.cif |
| 247101 | 2020-01-23 | cif/ Adding structures of 1557107, 1557108, 1557109 via cif-deposit CGI script. |
1557107.cif |
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Users of the data should acknowledge the original authors of the
structural data.