Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242250
Preview
| Coordinates | 2242250.cif |
|---|---|
| Structure factors | 2242250.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>rac</i>-(2<i>S</i>,2'<i>S</i>,5'<i>R</i>)-2-Methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>R</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]hexahydro[2,2'-bifuran]-5(2<i>H</i>)-one |
|---|---|
| Formula | C22 H34 O6 |
| Calculated formula | C22 H34 O6 |
| Title of publication | Crystal structure of a new spiro-polytetrahydrofuran compound with translational pseudosymmetry: <i>rac</i>-(2<i>S</i>,2'<i>S</i>,5'<i>R</i>)-2-methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>R</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]hexahydro[2,2'-bifuran]-5(2<i>H</i>)-one |
| Authors of publication | Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 5 |
| Pages of publication | 780 - 784 |
| a | 11.75 ± 0.004 Å |
| b | 13.805 ± 0.001 Å |
| c | 14.737 ± 0.002 Å |
| α | 68.622 ± 0.011° |
| β | 67.78 ± 0.019° |
| γ | 88.557 ± 0.015° |
| Cell volume | 2043 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 all reflections | 0.1092 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1002 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242250.cif 2242250.hkl |
| 199210 | 2017-07-25 | cif/ hkl/ Adding structures of 2242250 via cif-deposit CGI script. |
2242250.cif 2242250.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.