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Information card for entry 4518020
Preview
| Coordinates | 4518020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H25 Br O2 |
|---|---|
| Calculated formula | C27 H25 Br O2 |
| Title of publication | Development and Investigation of an Organocatalytic Enantioselective [10 + 2] Cycloaddition |
| Authors of publication | McLeod, David; Izzo, Joseph A.; Jørgensen, Danny K. B.; Lauridsen, Rune F.; Jørgensen, Karl Anker |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 10784 |
| a | 9.6954 ± 0.0002 Å |
| b | 10.1078 ± 0.0004 Å |
| c | 22.4793 ± 0.0008 Å |
| α | 97.438 ± 0.003° |
| β | 97.121 ± 0.002° |
| γ | 90.238 ± 0.002° |
| Cell volume | 2167.11 ± 0.13 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256256 (current) | 2020-09-10 | cif/ Adding structures of 4518020 via cif-deposit CGI script. |
4518020.cif |
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Users of the data should acknowledge the original authors of the
structural data.