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Information card for entry 1555952
Preview
| Coordinates | 1555952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 Cl4 O4 |
|---|---|
| Calculated formula | C14 H16 Cl4 O4 |
| SMILES | ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(OC)OC)[C@@H](O)C(=C[C@H]3O)C |
| Title of publication | Catalytic Enantioselective Desymmetrization of Norbornenoquinones via C(sp<sup>2</sup>)-H Alkylation. |
| Authors of publication | Sarkar, Rahul; Mukherjee, Santanu |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 23 |
| Pages of publication | 6160 - 6163 |
| a | 9.2923 ± 0.0006 Å |
| b | 9.2923 ± 0.0006 Å |
| c | 38.5 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3324.4 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0548 |
| Weighted residual factors for all reflections included in the refinement | 0.0558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.926 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239273 (current) | 2019-11-24 | cif/ Adding structures of 1555952 via cif-deposit CGI script. |
1555952.cif |
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