Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4024233
Preview
| Coordinates | 4024233.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H20 O4 |
|---|---|
| Calculated formula | C10 H20 O4 |
| SMILES | O[C@]1([C@H](O)[C@H](O)[C@@](O)(CC1)C(C)C)C.O[C@@]1([C@@H](O)[C@@H](O)[C@](O)(CC1)C(C)C)C |
| Title of publication | Synthesis and Chemistry of 2,3-Dioxabicyclo[2.2.2]octane-5,6-diols |
| Authors of publication | Peter Valente; Thomas D. Avery; Dennis K. Taylor; Edward R. T. Tiekink |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 274 - 282 |
| a | 9.3219 ± 0.0005 Å |
| b | 10.5827 ± 0.0019 Å |
| c | 11.9459 ± 0.0016 Å |
| α | 83.63 ± 0.02° |
| β | 68.448 ± 0.013° |
| γ | 73.18 ± 0.02° |
| Cell volume | 1049.2 ± 0.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.044 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178421 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/42. |
4024233.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024233.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024233.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024233.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024233.cif |
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.