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Information card for entry 4126513
Preview
| Coordinates | 4126513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 Cl2 O6 |
|---|---|
| Calculated formula | C22 H22 Cl2 O6 |
| Title of publication | Biomimetic Total Synthesis of (±)-Griffipavixanthone via a Cationic Cycloaddition-Cyclization Cascade. |
| Authors of publication | Reichl, Kyle D.; Smith, Michael J.; Song, Min K.; Johnson, Richard P.; Porco, Jr, John A |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 10.2329 ± 0.0004 Å |
| b | 12.5402 ± 0.0005 Å |
| c | 17.1485 ± 0.0007 Å |
| α | 87.71 ± 0.002° |
| β | 74.122 ± 0.002° |
| γ | 76.856 ± 0.002° |
| Cell volume | 2060.55 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0471 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1187 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201560 (current) | 2017-10-03 | cif/ Adding structures of 4126513 via cif-deposit CGI script. |
4126513.cif |
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Users of the data should acknowledge the original authors of the
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