Information card for entry 7236997
| 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 |
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