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Information card for entry 2243413
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| Coordinates | 2243413.cif |
|---|---|
| Structure factors | 2243413.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 6-(Dodecyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol |
|---|---|
| Formula | C18 H34 O4 |
| Calculated formula | C18 H34 O4 |
| SMILES | O[C@H]1CO[C@@H]2[C@H]1OC[C@H]2OCCCCCCCCCCCC |
| Title of publication | 2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths |
| Authors of publication | Geburtig, Felix; Vill, Volkmar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| Pages of publication | 924 - 928 |
| a | 7.025 ± 0.0005 Å |
| b | 5.4674 ± 0.0005 Å |
| c | 23.377 ± 0.002 Å |
| α | 90° |
| β | 97.051 ± 0.009° |
| γ | 90° |
| Cell volume | 891.08 ± 0.13 Å3 |
| Cell temperature | 99.8 ± 0.4 K |
| Ambient diffraction temperature | 99.8 ± 0.4 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 all reflections | 0.1043 |
| Residual factor for significantly intense reflections | 0.0824 |
| Weighted residual factors for significantly intense reflections | 0.1887 |
| Weighted residual factors for all reflections included in the refinement | 0.2015 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252482 (current) | 2020-05-30 | cif/ hkl/ Adding structures of 2243411, 2243412, 2243413, 2243414 via cif-deposit CGI script. |
2243413.cif 2243413.hkl |
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Users of the data should acknowledge the original authors of the
structural data.