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Information card for entry 7239184
Preview
| Coordinates | 7239184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H38 Br Cl2 N O |
|---|---|
| Calculated formula | C41 H38 Br Cl2 N O |
| Title of publication | A TPE-oxazoline molecular switch with tunable multi-emission in both solution and solid state |
| Authors of publication | Qi, Qingkai; Fang, Xiaofeng; Liu, Yifei; Zhou, Peng; Zhang, Yumo; Yang, Bing; Tian, Wenjing; Zhang, Sean Xiao-An |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 38 |
| Pages of publication | 16986 |
| a | 10.788 ± 0.002 Å |
| b | 12.438 ± 0.003 Å |
| c | 27.874 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3740.2 ± 1.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1208 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244593 (current) | 2019-11-28 | cif/ Adding structures of 7239184, 7239185 via cif-deposit CGI script. |
7239184.cif |
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Users of the data should acknowledge the original authors of the
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