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Information card for entry 2003302
Preview
| Coordinates | 2003302.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3'-methoxy spiro [bicyclo[3.1.0] hexane-6,16'-estra [1,3,5(10)] triene]-17'-one |
|---|---|
| Formula | C24 H30 O2 |
| Calculated formula | C24 H30 O2 |
| SMILES | O(c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC1(C2=O)[C@H]2CCC[C@@H]12)C)C |
| Title of publication | 3'-Methoxyspiro[bicyclo[3.1.0]hexane-6,16'-estra-1',3',5'(10')-trien]-17'-one |
| Authors of publication | Hooft, R. W. W.; Kroon, J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 4 |
| Pages of publication | 721 - 723 |
| a | 6.6532 ± 0.0006 Å |
| b | 7.1539 ± 0.0004 Å |
| c | 20.3786 ± 0.0013 Å |
| α | 90° |
| β | 93.473 ± 0.007° |
| γ | 90° |
| Cell volume | 968.17 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 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 | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.034 |
| Goodness-of-fit parameter for significantly intense reflections | 0.18 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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