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Information card for entry 7225517
Preview
| Coordinates | 7225517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 N3 O2 |
|---|---|
| Calculated formula | C27 H19 N3 O2 |
| SMILES | N(c1ccccc1)(c1ccc(/C=C(c2ccc(N(=O)=O)cc2)\C#N)cc1)c1ccccc1 |
| Title of publication | Branched Triphenylamine-cored Compounds: Aggregation Induced Two-photon Absorption |
| Authors of publication | Zhang, Xin; Gan, Xiaoping; Yao, Shun; Zhu, Weiju; Yu, Jianhua; Wu, Zhichao; zhou, Hongping; Tian, Yupeng; Wu, Jieying |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 11.165 ± 0.005 Å |
| b | 7.545 ± 0.005 Å |
| c | 25.708 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 96.505 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2151.7 ± 1.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0731 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1296 |
| Weighted residual factors for all reflections included in the refinement | 0.1559 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183453 (current) | 2016-06-14 | cif/ Adding structures of 7225517, 7225518 via cif-deposit CGI script. |
7225517.cif |
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Users of the data should acknowledge the original authors of the
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