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Information card for entry 2007095
Preview
| Coordinates | 2007095.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-Cyclohexyl-16'α,17'α-dihydro-3'-methoxy-4H-estra-1',3',5'(10'),16'- tetraeno[16',17'-e][1,3]oxazine |
|---|---|
| Formula | C27 H37 N O2 |
| Calculated formula | C27 H37 N O2 |
| SMILES | O(c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]1[C@@H]2OC(=NC1)C1CCCCC1)C)C |
| Title of publication | A Steroidal Dihydro-1,3-oxazine Derivative |
| Authors of publication | Bes, Teresa; Hajnal, Andrea; Schneider, Gyula; Noltemeyer, Mathias |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 372 - 373 |
| a | 6.781 ± 0.001 Å |
| b | 15.53 ± 0.003 Å |
| c | 21.179 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2230.3 ± 0.7 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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