Information card for entry 7233394
| Formula |
C25 H28 I N O3 |
| Calculated formula |
C25 H28 I N O3 |
| Title of publication |
Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity |
| Authors of publication |
Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli |
| Journal of publication |
CrystEngComm |
| Year of publication |
2019 |
| Journal volume |
21 |
| Journal issue |
37 |
| Pages of publication |
5626 |
| a |
8.3364 ± 0.0001 Å |
| b |
24.4555 ± 0.0003 Å |
| c |
11.4028 ± 0.0001 Å |
| α |
90° |
| β |
90.717 ± 0.001° |
| γ |
90° |
| Cell volume |
2324.52 ± 0.04 Å3 |
| Cell temperature |
173.01 ± 0.1 K |
| Ambient diffraction temperature |
173.01 ± 0.1 K |
| Number of distinct elements |
5 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0256 |
| Residual factor for significantly intense reflections |
0.0253 |
| Weighted residual factors for significantly intense reflections |
0.0613 |
| Weighted residual factors for all reflections included in the refinement |
0.0618 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.056 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7233394.html
