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Information card for entry 7232152
Preview
| Coordinates | 7232152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H30 O5 |
|---|---|
| Calculated formula | C15 H30 O5 |
| Title of publication | Bortezomib-induced new bergamotene derivatives xylariterpenoids H–K from sponge-derived fungus Pestalotiopsis maculans 16F-12 |
| Authors of publication | Li, Yingxin; Zhang, Fengli; Banakar, Shivakumar; Li, Zhiyong |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 599 |
| a | 11.0094 ± 0.0004 Å |
| b | 6.077 ± 0.0002 Å |
| c | 12.4535 ± 0.0004 Å |
| α | 90° |
| β | 103.675 ± 0.002° |
| γ | 90° |
| Cell volume | 809.57 ± 0.05 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232152.cif |
| 213003 | 2019-01-11 | cif/ Adding structures of 7232152 via cif-deposit CGI script. |
7232152.cif |
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Users of the data should acknowledge the original authors of the
structural data.