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Information card for entry 4038615
Preview
| Coordinates | 4038615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H32 O5 |
|---|---|
| Calculated formula | C21 H32 O5 |
| Title of publication | Formal Total Synthesis of Atropurpuran. |
| Authors of publication | Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 9.7358 ± 0.0002 Å |
| b | 24.4825 ± 0.0003 Å |
| c | 7.6319 ± 0.0001 Å |
| α | 90° |
| β | 100.777 ± 0.001° |
| γ | 90° |
| Cell volume | 1787.03 ± 0.05 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1359 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254606 (current) | 2020-07-28 | cif/ Adding structures of 4038615 via cif-deposit CGI script. |
4038615.cif |
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Users of the data should acknowledge the original authors of the
structural data.