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Information card for entry 4512894
Preview
| Coordinates | 4512894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H14 N2 S |
|---|---|
| Calculated formula | C15 H14 N2 S |
| Title of publication | Three-photon-excited luminescence from unsymmetrical cyanostilbene aggregates: morphology tuning and targeted bioimaging. |
| Authors of publication | Mandal, Amal Kumar; Sreejith, Sivaramapanicker; He, Tingchao; Maji, Swarup Kumar; Wang, Xiao-Jun; Ong, Shi Li; Joseph, James; Sun, Handong; Zhao, Yanli |
| Journal of publication | ACS nano |
| Year of publication | 2015 |
| Journal volume | 9 |
| Journal issue | 5 |
| Pages of publication | 4796 - 4805 |
| a | 5.8364 ± 0.0003 Å |
| b | 11.1486 ± 0.0004 Å |
| c | 19.6062 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1275.73 ± 0.1 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4512894.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4512894.cif |
| 138035 | 2015-06-05 | cif/ Updating files of 4512894 Original log message: Adding full bibliography for 4512894.cif. |
4512894.cif |
| 136219 | 2015-05-13 | cif/ Adding structures of 4512894 via cif-deposit CGI script. |
4512894.cif |
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Users of the data should acknowledge the original authors of the
structural data.