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Information card for entry 1548055
Preview
| Coordinates | 1548055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 N |
|---|---|
| Calculated formula | C27 H19 N |
| SMILES | c1cccc2c1C(=C1c3ccccc3N(c3ccccc13)C)c1ccccc21 |
| Title of publication | A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change. |
| Authors of publication | Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 475 - 482 |
| a | 8.5137 ± 0.0002 Å |
| b | 21.963 ± 0.0006 Å |
| c | 9.8776 ± 0.0003 Å |
| α | 90° |
| β | 104.406 ± 0.0017° |
| γ | 90° |
| Cell volume | 1788.9 ± 0.09 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228727 (current) | 2019-11-17 | cif/ Updating files of 1548053, 1548054, 1548055, 1548056 Original log message: Adding full bibliography for 1548053--1548056.cif. |
1548055.cif |
| 203200 | 2017-11-15 | cif/ Adding structures of 1548053, 1548054, 1548055, 1548056 via cif-deposit CGI script. |
1548055.cif |
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Users of the data should acknowledge the original authors of the
structural data.