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Information card for entry 7203354
Preview
| Coordinates | 7203354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C38 H62 O5 |
|---|---|
| Calculated formula | C38 H62 O5 |
| SMILES | O.O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)[C@@H](CC[C@@H]21)C[C@H](O)CC3 |
| Title of publication | Clarification of the crystalline forms of androsterone |
| Authors of publication | Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F. |
| Journal of publication | CrystEngComm |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 309 |
| a | 7.4288 ± 0.0008 Å |
| b | 10.2892 ± 0.0011 Å |
| c | 22.174 ± 0.002 Å |
| α | 90° |
| β | 97.553 ± 0.002° |
| γ | 90° |
| Cell volume | 1680.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0648 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7203354.cif |
| 180364 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/33. |
7203354.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203354.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203354.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203354.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.