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Information card for entry 1519111
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1519111.cif |
---|
Formula | C18 H24 O2 |
---|---|
Calculated formula | C18 H24 O2 |
SMILES | [C@@H]12[C@H](CC[C@]3([C@H]1CCC3=O)C)[C@@H]1C(=CC(=O)CC1)CC2 |
Title of publication | 19-nor-4-androstene-3,17-dione |
Authors of publication | Wood, Kenneth J; Fronckowiak, M; Duax, William L; Hursthouse, Michael B.; Lamond, Steven J.; Surplice, Luke |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 1987 |
Pages of publication | 1231 |
a | 7.2921 ± 0.0015 Å |
b | 8.0475 ± 0.0016 Å |
c | 26.378 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1547.9 ± 0.5 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1015 |
Residual factor for significantly intense reflections | 0.0967 |
Weighted residual factors for significantly intense reflections | 0.4215 |
Weighted residual factors for all reflections included in the refinement | 0.4262 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.266 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1519111.html
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Users of the data should acknowledge the original authors of the
structural data.