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Information card for entry 4128360
Preview
| Coordinates | 4128360.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H4 Cs0 Li N3 O5 Rb |
|---|---|
| Calculated formula | C3 H4 Li N3 O5 Rb |
| Title of publication | How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates. |
| Authors of publication | Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 40 |
| Pages of publication | 16151 - 16159 |
| a | 15.689 ± 0.003 Å |
| b | 3.7585 ± 0.0008 Å |
| c | 12.759 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 752.4 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221483 (current) | 2019-11-03 | cif/ Adding structures of 4128360 via cif-deposit CGI script. |
4128360.cif |
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Users of the data should acknowledge the original authors of the
structural data.