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Information card for entry 4128615
Preview
| Coordinates | 4128615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 O3 |
|---|---|
| Calculated formula | C16 H22 O3 |
| Title of publication | A Radical-Polar Crossover Annulation To Access Terpenoid Motifs. |
| Authors of publication | Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 31 |
| Pages of publication | 12246 - 12250 |
| a | 12.1239 ± 0.0008 Å |
| b | 13.1282 ± 0.0009 Å |
| c | 14.4151 ± 0.001 Å |
| α | 87.304 ± 0.0009° |
| β | 75.4289 ± 0.0009° |
| γ | 76.0963 ± 0.0009° |
| Cell volume | 2155.3 ± 0.3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0882 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.1582 |
| Weighted residual factors for all reflections included in the refinement | 0.1758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221696 (current) | 2019-11-03 | cif/ Adding structures of 4128615 via cif-deposit CGI script. |
4128615.cif |
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Users of the data should acknowledge the original authors of the
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