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Information card for entry 1547201
Preview
| Coordinates | 1547201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H34 O3 |
|---|---|
| Calculated formula | C21 H34 O3 |
| SMILES | OC[C@H]1C[C@@]2([C@@H](CC1=O)CC[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@]2(O)C)C)C |
| Title of publication | Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone |
| Authors of publication | Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary |
| Journal of publication | Chemistry Central Journal |
| Year of publication | 2012 |
| Journal volume | 6 |
| Pages of publication | 153 |
| a | 7.3859 ± 0.0003 Å |
| b | 20.6898 ± 0.0009 Å |
| c | 12.4157 ± 0.0006 Å |
| α | 90° |
| β | 90.165 ± 0.001° |
| γ | 90° |
| Cell volume | 1897.27 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0695 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1308 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547201.cif |
| 214153 | 2019-03-18 | cif/1 Fixing Z values and formulae |
1547201.cif |
| 200966 | 2017-09-18 | cif/ Adding structures of 1547201 via cif-deposit CGI script. |
1547201.cif |
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Users of the data should acknowledge the original authors of the
structural data.