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Information card for entry 4128359
Preview
| Coordinates | 4128359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H5 Li2 N3 O5 |
|---|---|
| Calculated formula | C3 H5 Li2 N3 O5 |
| 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 | 3.4142 ± 0.0018 Å |
| b | 16.974 ± 0.011 Å |
| c | 11.176 ± 0.008 Å |
| α | 90° |
| β | 90.92 ± 0.02° |
| γ | 90° |
| Cell volume | 647.6 ± 0.7 Å3 |
| Cell temperature | 88 ± 2 K |
| Ambient diffraction temperature | 88 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0587 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221482 (current) | 2019-11-03 | cif/ Adding structures of 4128359 via cif-deposit CGI script. |
4128359.cif |
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Users of the data should acknowledge the original authors of the
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