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Information card for entry 1568166
Preview
| Coordinates | 1568166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33.5 H28 O6 |
|---|---|
| Calculated formula | C33.5 H28 O6 |
| Title of publication | A bioinspired, one-step total synthesis of peshawaraquinone. |
| Authors of publication | Vieira de Castro, Tomás; Huang, David M.; Sumby, Christopher J.; Lawrence, Andrew L.; George, Jonathan H. |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 4 |
| Pages of publication | 950 - 954 |
| a | 17.659 ± 0.0002 Å |
| b | 8.3859 ± 0.0001 Å |
| c | 17.8047 ± 0.0002 Å |
| α | 90° |
| β | 92.68 ± 0.001° |
| γ | 90° |
| Cell volume | 2633.75 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.149 |
| Weighted residual factors for all reflections included in the refinement | 0.1535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283157 (current) | 2023-05-05 | cif/ Updating files of 1568166 Original log message: Adding full bibliography for 1568166.cif. |
1568166.cif |
| 279994 | 2022-12-22 | cif/ Adding structures of 1568166 via cif-deposit CGI script. |
1568166.cif |
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Users of the data should acknowledge the original authors of the
structural data.