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Information card for entry 2243412
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| Coordinates | 2243412.cif |
|---|---|
| Structure factors | 2243412.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 6-(Decyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol |
|---|---|
| Formula | C16 H30 O4 |
| Calculated formula | C16 H30 O4 |
| SMILES | O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCCCCCCCCCC |
| 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 | 6.9892 ± 0.0002 Å |
| b | 5.4888 ± 0.0002 Å |
| c | 20.8041 ± 0.0006 Å |
| α | 90° |
| β | 91.302 ± 0.003° |
| γ | 90° |
| Cell volume | 797.89 ± 0.04 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 100.15 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 | 0.0464 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
2243412.cif 2243412.hkl |
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Users of the data should acknowledge the original authors of the
structural data.