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Information card for entry 4038614
Preview
| Coordinates | 4038614.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 O5 |
|---|---|
| Calculated formula | C20 H24 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 | 13.4894 ± 0.0001 Å |
| b | 6.9863 ± 0.0001 Å |
| c | 18.057 ± 0.0002 Å |
| α | 90° |
| β | 96.75 ± 0.001° |
| γ | 90° |
| Cell volume | 1689.91 ± 0.03 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| 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 |
|---|---|---|---|
| 254605 (current) | 2020-07-28 | cif/ Adding structures of 4038614 via cif-deposit CGI script. |
4038614.cif |
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Users of the data should acknowledge the original authors of the
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