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Information card for entry 7236997
Preview
| Coordinates | 7236997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H23 N O5 S |
|---|---|
| Calculated formula | C25 H23 N O5 S |
| Title of publication | Quinolinium single crystals with a high optical nonlinearity and unusual out-of-plane polar axis |
| Authors of publication | Choi, Jae-Young; Lee, Seung-Jun; Lee, Seung-Chul; Jeong, Chan-Uk; Jazbinsek, Mojca; Yun, Hoseop; Kang, Bong Joo; Rotermund, Fabian; Kwon, O-Pil |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 47 |
| Pages of publication | 12602 |
| a | 11.6942 ± 0.0004 Å |
| b | 7.069 ± 0.0002 Å |
| c | 13.1573 ± 0.0005 Å |
| α | 90° |
| β | 101.21 ± 0.001° |
| γ | 90° |
| Cell volume | 1066.91 ± 0.06 Å3 |
| Cell temperature | 290 ± 1 K |
| Ambient diffraction temperature | 290 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236700 (current) | 2019-11-24 | cif/ Adding structures of 7236997 via cif-deposit CGI script. |
7236997.cif |
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