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Information card for entry 1555708
Preview
| Coordinates | 1555708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-(2,6-Diisopropylphenyl)-2H-benzotriazole |
|---|---|
| Formula | C18 H21 N3 |
| Calculated formula | C18 H21 N3 |
| Title of publication | Conformationally Distorted π-Conjugation for Reaction-Based Detection of Nickel: Fluorescence Turn-on by Twist-and-Fragment. |
| Authors of publication | Kim, Seyong; Jo, Junyong; Lee, Dongwhan |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 18 |
| Pages of publication | 4530 - 4533 |
| a | 14.58554 ± 0.00008 Å |
| b | 8.33918 ± 0.00005 Å |
| c | 25.4351 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3093.71 ± 0.03 Å3 |
| Cell temperature | 99.95 ± 0.16 K |
| Ambient diffraction temperature | 99.95 ± 0.16 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239039 (current) | 2019-11-24 | cif/ Adding structures of 1555708 via cif-deposit CGI script. |
1555708.cif |
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