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Information card for entry 2003677
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| Coordinates | 2003677.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C18 H22 O2 |
|---|---|
| Calculated formula | C18 H22 O2 |
| SMILES | CCOC(=O)/C=C1/C2(CC2)C2(C31C1(C43CC4)CC1)CC2 |
| Title of publication | Ethyl Pentaspiro[2.0.2.0.0.2.0.2.0.1]tetradeca-14-ylideneacetate, C~18~H~22~O~2~ |
| Authors of publication | Yufit, D. S.; Struchkov, Yu. T.; Kozhushkov, S. I.; De Meijere, A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 7 |
| Pages of publication | 1325 - 1327 |
| a | 15.685 ± 0.007 Å |
| b | 25.364 ± 0.009 Å |
| c | 7.579 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3015 ± 2 Å3 |
| Cell temperature | 143 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.06 |
| Goodness-of-fit parameter for significantly intense reflections | 1.52 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.