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Information card for entry 1553242
Preview
| Coordinates | 1553242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cinnamaldimine |
|---|---|
| Chemical name | S1 |
| Formula | C18 H27 Cl N2 O |
| Calculated formula | C18 H27 Cl N2 O |
| SMILES | c1(ccc(cc1)/C=C/C=[NH+]/CC1(CCCCC1)O)N(C)C.[Cl-] |
| Title of publication | A photochromic-acidochromic HCl fluorescent probe. An unexpected chloride-directed recognition. |
| Authors of publication | Jiménez-Sánchez, Arturo; Santillan, Rosa |
| Journal of publication | The Analyst |
| Year of publication | 2016 |
| Journal volume | 141 |
| Journal issue | 13 |
| Pages of publication | 4108 - 4120 |
| a | 14.388 Å |
| b | 6.189 Å |
| c | 20.392 Å |
| α | 90° |
| β | 98.16° |
| γ | 90° |
| Cell volume | 1797.47 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0897 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1364 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233974 (current) | 2019-11-23 | cif/ Adding structures of 1553242 via cif-deposit CGI script. |
1553242.cif |
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