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Information card for entry 7157294
Preview
| Coordinates | 7157294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H26 O3 S |
|---|---|
| Calculated formula | C20 H26 O3 S |
| Title of publication | Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products. |
| Authors of publication | Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 4 |
| Pages of publication | 687 - 693 |
| a | 8.009 ± 0.0004 Å |
| b | 8.009 ± 0.0004 Å |
| c | 49.0398 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2724.2 ± 0.2 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for all reflections | 0.0358 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157294.cif |
| 247810 | 2020-02-04 | cif/ Updating files of 7157293, 7157294 Original log message: Adding full bibliography for 7157293--7157294.cif. |
7157294.cif |
| 246399 | 2020-01-01 | cif/ Adding structures of 7157293, 7157294 via cif-deposit CGI script. |
7157294.cif |
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Users of the data should acknowledge the original authors of the
structural data.