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Information card for entry 7240585
Preview
| Coordinates | 7240585.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H37 N3 O6 S |
|---|---|
| Calculated formula | C37 H37 N3 O6 S |
| SMILES | S(c1c(cc(Oc2ccc3[C@H]4CC[C@@]5(C(=O)CC[C@H]5[C@@H]4CCc3c2)C)c(c1)C#N)C#N)c1ccc(OCC(=O)O)cc1.O=CN(C)C |
| Title of publication | Lipofection with estrone-based luminophores featuring aggregation-induced emission properties |
| Authors of publication | Riebe, Steffen; Zimmermann, Alexander; Koch, Johannes; Vallet, Cecilia; Knauer, Shirley K.; Sowa, Andrea; Wölper, Christoph; Voskuhl, Jens |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 33 |
| Pages of publication | 19643 - 19647 |
| a | 8.0733 ± 0.0012 Å |
| b | 8.0733 ± 0.0012 Å |
| c | 101.06 ± 0.017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6586.9 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0989 |
| Residual factor for significantly intense reflections | 0.0985 |
| Weighted residual factors for significantly intense reflections | 0.2257 |
| Weighted residual factors for all reflections included in the refinement | 0.2258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.347 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240585.cif |
| 258015 | 2020-10-06 | cif/ Updating files of 7240585 Original log message: Adding full bibliography for 7240585.cif. |
7240585.cif |
| 252432 | 2020-05-28 | cif/ Adding structures of 7240585 via cif-deposit CGI script. |
7240585.cif |
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Users of the data should acknowledge the original authors of the
structural data.