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Information card for entry 4518585
Preview
| Coordinates | 4518585.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13.99 H21.99 O5 |
|---|---|
| Calculated formula | C14 H22 O5 |
| Title of publication | Discovery of a Dimeric Zinc Complex and Five Cyclopentenone Derivatives from the Sponge-Associated Fungus Aspergillus ochraceopetaliformis |
| Authors of publication | Guo, Cui; Wang, Pei; Pang, Xiaoyan; Lin, Xiuping; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong |
| Journal of publication | ACS Omega |
| Year of publication | 2021 |
| a | 10.3118 ± 0.0002 Å |
| b | 6.4245 ± 0.0001 Å |
| c | 11.7079 ± 0.0002 Å |
| α | 90° |
| β | 105.643 ± 0.002° |
| γ | 90° |
| Cell volume | 746.9 ± 0.02 Å3 |
| Cell temperature | 104 ± 6 K |
| Ambient diffraction temperature | 104 ± 6 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 | 0.0357 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263372 (current) | 2021-03-27 | cif/ Adding structures of 4518585 via cif-deposit CGI script. |
4518585.cif |
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Users of the data should acknowledge the original authors of the
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