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Information card for entry 4515655
Preview
| Coordinates | 4515655.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23.7 H15 Cl2.1 D0.7 F3 O4 S |
|---|---|
| Calculated formula | C23.7 H15 Cl2.1 D0.7 F3 O4 S |
| Title of publication | Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones. |
| Authors of publication | Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L. |
| Journal of publication | ACS catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 6 |
| Pages of publication | 5443 - 5447 |
| a | 9.3182 ± 0.0004 Å |
| b | 10.5061 ± 0.0005 Å |
| c | 24.8751 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2435.2 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.1015 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.1775 |
| Weighted residual factors for all reflections included in the refinement | 0.1966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225793 (current) | 2019-11-10 | cif/ Adding structures of 4515655 via cif-deposit CGI script. |
4515655.cif |
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