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Information card for entry 7122838
Preview
| Coordinates | 7122838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H42 N4 O4 |
|---|---|
| Calculated formula | C44 H42 N4 O4 |
| Title of publication | Rhodamine-naphthalimide demonstrated a distinct aggregation-induced emission mechanism: elimination of dark-states via dimer interactions (EDDI) |
| Authors of publication | Qi, Qingkai; Huang, Lu; Yang, Runqing; Li, Jin; Qiao, Qinglong; Xu, Bin; Tian, Wenjing; Liu, Xiaogang; Xu, Zhaochao |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 9.935 ± 0.0008 Å |
| b | 12.2145 ± 0.001 Å |
| c | 15.7216 ± 0.0013 Å |
| α | 78.776 ± 0.007° |
| β | 75.149 ± 0.007° |
| γ | 83.468 ± 0.007° |
| Cell volume | 1804.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2419 |
| Residual factor for significantly intense reflections | 0.0821 |
| Weighted residual factors for significantly intense reflections | 0.2042 |
| Weighted residual factors for all reflections included in the refinement | 0.287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213082 (current) | 2019-01-16 | cif/ Adding structures of 7122838 via cif-deposit CGI script. |
7122838.cif |
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Users of the data should acknowledge the original authors of the
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