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Information card for entry 7229290
Preview
| Coordinates | 7229290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H19 F17 O2 |
|---|---|
| Calculated formula | C30 H19 F17 O2 |
| Title of publication | How side-chain substituents and substrates influence mechanochromic luminescence: case study with pyrene |
| Authors of publication | Qian, Zongzheng; Deng, Weiting; Zhang, Xuepeng; Miao, Hui; Zhang, Guoqing |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 74 |
| Pages of publication | 46721 |
| a | 5.4184 ± 0.0003 Å |
| b | 9.8683 ± 0.001 Å |
| c | 54.655 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2922.4 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.1212 |
| Residual factor for significantly intense reflections | 0.1107 |
| Weighted residual factors for significantly intense reflections | 0.2368 |
| Weighted residual factors for all reflections included in the refinement | 0.2431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201695 (current) | 2017-10-05 | cif/ Adding structures of 7229290 via cif-deposit CGI script. |
7229290.cif |
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Users of the data should acknowledge the original authors of the
structural data.