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Information card for entry 1567001
Preview
| Coordinates | 1567001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H4 K Li O5 |
|---|---|
| Calculated formula | C3 H4 K Li O5 |
| Title of publication | Flexible Functional Module Regulate Ultraviolet Optical Nonlinearity Achieving a Balance between Second-harmonic Generation Response and Birefringence |
| Authors of publication | Cao, Liling; Tian, Haotian; Lin, Donghong; Lin, Chensheng; Xu, Feng; Han, Yinglei; Yan, Tao; Chen, Jindong; Li, Bing-Xuan; Ye, Ning; Luo, Min |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 8.5885 ± 0.0003 Å |
| b | 7.5236 ± 0.0002 Å |
| c | 9.3685 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 605.36 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.024 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275584 (current) | 2022-05-21 | cif/ Adding structures of 1567001 via cif-deposit CGI script. |
1567001.cif |
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Users of the data should acknowledge the original authors of the
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