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Information card for entry 7061429
Preview
| Coordinates | 7061429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | TDCH |
|---|---|
| Chemical name | (8S,9R,10R,13R,14R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (4-((Z)-1-cyano-2-(7-(4-(diphenylamino)phenyl)benzo[c][1,2,5]thiadiazol-4-yl)vinyl)phenyl)carbamate |
| Formula | C65 H75 N5 O3 S |
| Calculated formula | C65 H75 N5 O3 S |
| Title of publication | Red to near-infrared piezochromism from AIE-active luminophores: isolated dimers facilitating a wide-range redshift |
| Authors of publication | Lv, Long; Ye, Lijie; Cao, Feng; Yang, Shengchen; Song, Qingbao; Zou, Bo; Wang, Kai; Lv, Chunyan; Zhang, Cheng; Zhang, Yujian |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 16 |
| Pages of publication | 7741 - 7747 |
| a | 10.1099 ± 0.0002 Å |
| b | 12.671 ± 0.0003 Å |
| c | 22.5816 ± 0.0005 Å |
| α | 77.049 ± 0.001° |
| β | 79.95 ± 0.001° |
| γ | 89.73 ± 0.001° |
| Cell volume | 2774.13 ± 0.11 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275017 (current) | 2022-05-05 | cif/ Updating files of 7061428, 7061429 Original log message: Adding full bibliography for 7061428--7061429.cif. |
7061429.cif |
| 274410 | 2022-04-07 | cif/ Adding structures of 7061428, 7061429 via cif-deposit CGI script. |
7061429.cif |
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Users of the data should acknowledge the original authors of the
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