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Information card for entry 7058213
Preview
| Coordinates | 7058213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C83 H59 Cl3 N10 S2 |
|---|---|
| Calculated formula | C83 H59 Cl3 N10 S2 |
| Title of publication | Mechanochromic fluorescence based on a combination of acceptor and bulky donor moieties: tuning emission color and regulating emission change direction |
| Authors of publication | Ishi-i, Tsutomu; Tanaka, Honoka; Youfu, Ryusuke; Aizawa, Naoya; Yasuda, Takuma; Kato, Shin-ichiro; Matsumoto, Taisuke |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 13 |
| Pages of publication | 4998 |
| a | 10.007 ± 0.004 Å |
| b | 15.858 ± 0.006 Å |
| c | 22.656 ± 0.007 Å |
| α | 71.126 ± 0.018° |
| β | 79.22 ± 0.03° |
| γ | 87.4 ± 0.04° |
| Cell volume | 3342 ± 2 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.1787 |
| Residual factor for significantly intense reflections | 0.1244 |
| Weighted residual factors for significantly intense reflections | 0.2706 |
| Weighted residual factors for all reflections included in the refinement | 0.314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058213.cif |
| 224872 | 2019-11-08 | cif/ Updating files of 7058206, 7058207, 7058208, 7058209, 7058210, 7058211, 7058212, 7058213 Original log message: Adding full bibliography for 7058206--7058213.cif. |
7058213.cif |
| 213849 | 2019-02-26 | cif/ Adding structures of 7058206, 7058207, 7058208, 7058209, 7058210, 7058211, 7058212, 7058213 via cif-deposit CGI script. |
7058213.cif |
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Users of the data should acknowledge the original authors of the
structural data.