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Information card for entry 7129303
Preview
| Coordinates | 7129303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 O5 |
|---|---|
| Calculated formula | C16 H16 O5 |
| SMILES | O1[C@]2(Oc3c([C@@H](c4c1cc(O)cc4O)C2)cccc3)C.O |
| Title of publication | Acid-catalysed iterative generation of o-quinone methides for the synthesis of dioxabicyclo[3.3.1]nonanes: total synthesis of myristicyclins A–B |
| Authors of publication | Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 5.3663 ± 0.0002 Å |
| b | 7.4309 ± 0.0003 Å |
| c | 32.764 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1306.51 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0708 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1239 |
| Weighted residual factors for all reflections included in the refinement | 0.1347 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270863 (current) | 2021-11-25 | cif/ Adding structures of 7129303, 7129304, 7129305, 7129306 via cif-deposit CGI script. |
7129303.cif |
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Users of the data should acknowledge the original authors of the
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