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Information card for entry 7234267
Preview
| Coordinates | 7234267.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H27 N O3 S |
|---|---|
| Calculated formula | C29 H27 N O3 S |
| SMILES | s1c(C(=O)/C=C/c2ccc(N(c3ccc(OCC)cc3)c3ccc(OCC)cc3)cc2)ccc1 |
| Title of publication | Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells |
| Authors of publication | Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 5580 - 5588 |
| a | 12.232 ± 0.005 Å |
| b | 24.846 ± 0.005 Å |
| c | 16.81 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 100.355 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 5026 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1603 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1613 |
| Weighted residual factors for all reflections included in the refinement | 0.2159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234267.cif |
| 218960 | 2019-10-01 | cif/ Adding structures of 7234264, 7234265, 7234266, 7234267 via cif-deposit CGI script. |
7234267.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.