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Information card for entry 1563745
Preview
| Coordinates | 1563745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H36 N2 O2 |
|---|---|
| Calculated formula | C29 H36 N2 O2 |
| SMILES | C1(=O)[C@]23[C@H]([C@H](Cc4c[nH]c5c4cccc5)N1)[C@@H](C(=C[C@@H]2/C=C/C[C@@H](CCCCC3=O)C)C)C |
| Title of publication | [11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells |
| Authors of publication | Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2021 |
| a | 9.0722 ± 0.0003 Å |
| b | 7.645 ± 0.0003 Å |
| c | 18.076 ± 0.0006 Å |
| α | 90° |
| β | 92.416 ± 0.002° |
| γ | 90° |
| Cell volume | 1252.58 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266750 (current) | 2021-06-29 | cif/ Adding structures of 1563745 via cif-deposit CGI script. |
1563745.cif |
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Users of the data should acknowledge the original authors of the
structural data.