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Information card for entry 1549455
Preview
| Coordinates | 1549455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | A-4 |
|---|---|
| Formula | C54 H50 F4 N10 O2 |
| Calculated formula | C40.5 H19.5 F7.5 N1.5 O3 |
| Title of publication | Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes. |
| Authors of publication | Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 24 |
| Pages of publication | 5415 - 5426 |
| a | 12.392 ± 0.0007 Å |
| b | 17.6527 ± 0.0009 Å |
| c | 18.8864 ± 0.001 Å |
| α | 95.161 ± 0.003° |
| β | 103.759 ± 0.003° |
| γ | 106.881 ± 0.003° |
| Cell volume | 3783.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3115 |
| Residual factor for significantly intense reflections | 0.2346 |
| Weighted residual factors for significantly intense reflections | 0.5424 |
| Weighted residual factors for all reflections included in the refinement | 0.5936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.541 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228629 (current) | 2019-11-17 | cif/ Updating files of 1549452, 1549453, 1549454, 1549455 Original log message: Adding full bibliography for 1549452--1549455.cif. |
1549455.cif |
| 207952 | 2018-05-24 | cif/ Adding structures of 1549452, 1549453, 1549454, 1549455 via cif-deposit CGI script. |
1549455.cif |
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Users of the data should acknowledge the original authors of the
structural data.