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Information card for entry 4503625
Preview
| Coordinates | 4503625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | mestanolone |
|---|---|
| Chemical name | 17B-hydroxy-17A-methyl-5A-androstan-3-one |
| Formula | C20 H32 O2 |
| Calculated formula | C20 H32 O2 |
| SMILES | O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]2(O)C)C)C |
| Title of publication | Cocrystal Screening of Stanolone and Mestanolone Using Slurry Crystallization |
| Authors of publication | Takata, Noriyuki; Shiraki, Koji; Takano, Ryusuke; Hayashi, Yoshiki; Terada, Katsuhide |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 8 |
| Pages of publication | 3032 |
| a | 6.4321 ± 0.0006 Å |
| b | 21.773 ± 0.002 Å |
| c | 6.3848 ± 0.0008 Å |
| α | 90° |
| β | 104.482 ± 0.008° |
| γ | 90° |
| Cell volume | 865.76 ± 0.16 Å3 |
| Cell temperature | 298.1 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 significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4503625.cif |
| 179571 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/36. |
4503625.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503625.cif |
| 41669 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503623, 4503624, 4503625 via cif-deposit CGI script. |
4503625.cif |
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Users of the data should acknowledge the original authors of the
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