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Information card for entry 2200704
Preview
| Coordinates | 2200704.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C22 H30 O4 |
|---|---|
| Calculated formula | C22 H30 O4 |
| SMILES | O(c1c(OC)cc(cc1)/C=C/C(=O)OCC)C/C=C(CCC=C(C)C)\C |
| Title of publication | Ethyl 3-(4-geranyloxy-3-methoxyphenyl)-2-propenoate |
| Authors of publication | Miyake, Yasuhito; Hosoda, Asao; Nomura, Eisaku; Taniguchi, Hisaji |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 11 |
| Pages of publication | o1096 - o1097 |
| a | 11.094 ± 0.001 Å |
| b | 11.943 ± 0.001 Å |
| c | 9.3399 ± 0.0009 Å |
| α | 110.864 ± 0.005° |
| β | 113.51 ± 0.005° |
| γ | 68.358 ± 0.004° |
| Cell volume | 1022.57 ± 0.17 Å3 |
| Cell temperature | 193.2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.645 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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.