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Information card for entry 4033744
Preview
| Coordinates | 4033744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H12 F4 |
|---|---|
| Calculated formula | C26 H12 F4 |
| Title of publication | Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings. |
| Authors of publication | Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 4 |
| Pages of publication | 1980 - 1993 |
| a | 7.6061 ± 0.0003 Å |
| b | 11.0989 ± 0.0003 Å |
| c | 21.165 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1786.74 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0532 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1324 |
| Weighted residual factors for all reflections included in the refinement | 0.135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222319 (current) | 2019-11-04 | cif/ Adding structures of 4033744 via cif-deposit CGI script. |
4033744.cif |
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Users of the data should acknowledge the original authors of the
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