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Information card for entry 4035122
Preview
| Coordinates | 4035122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 F3 O5 S |
|---|---|
| Calculated formula | C21 H16 F3 O5 S |
| Title of publication | Regioselective Synthesis of Unsymmetric Tetra- and Pentasubstituted Pyrenes with a Strategy for Primary C-Alkylation at the 2-Position. |
| Authors of publication | Dmytrejchuk, Ana M.; Jackson, Sydney N.; Meudom, Rolande; Gorden, John D.; Merner, Bradley L. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 17 |
| Pages of publication | 10660 - 10667 |
| a | 8.7597 ± 0.0005 Å |
| b | 10.678 ± 0.0006 Å |
| c | 11.1484 ± 0.0007 Å |
| α | 94.022 ± 0.002° |
| β | 98.197 ± 0.002° |
| γ | 113.638 ± 0.002° |
| Cell volume | 936.16 ± 0.1 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180.45 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0895 |
| Residual factor for significantly intense reflections | 0.0819 |
| Weighted residual factors for significantly intense reflections | 0.2095 |
| Weighted residual factors for all reflections included in the refinement | 0.217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0486 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226608 (current) | 2019-11-11 | cif/ Adding structures of 4035122 via cif-deposit CGI script. |
4035122.cif |
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Users of the data should acknowledge the original authors of the
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