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Information card for entry 7224705
Preview
| Coordinates | 7224705.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 Cl I N O0.5 |
|---|---|
| Calculated formula | C19 H17 Cl I N O0.5 |
| SMILES | O.c1(ccc(cc1)/C=C/c1ccc2c(cccc2)[n+]1CC)Cl.[I-] |
| Title of publication | Synthesis, growth and third-order nonlinear optical properties of quinolinium single crystal-PCLQI |
| Authors of publication | Siva, Karthigha; Kalainathan, S.; Yamada, Manabu; Kondo, Yoshihiko; Hamada, Fumio |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 26.0008 ± 0.0011 Å |
| b | 9.3211 ± 0.0004 Å |
| c | 15.3597 ± 0.0008 Å |
| α | 90° |
| β | 113.385 ± 0.0014° |
| γ | 90° |
| Cell volume | 3416.7 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0165 |
| Weighted residual factors for all reflections included in the refinement | 0.0414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7224705.cif |
| 179646 | 2016-03-24 | cif/ Adding structures of 7224705 via cif-deposit CGI script. |
7224705.cif |
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Users of the data should acknowledge the original authors of the
structural data.