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Information card for entry 7238969
Preview
| Coordinates | 7238969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H18 O5 |
|---|---|
| Calculated formula | C12 H18 O5 |
| Title of publication | Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick |
| Authors of publication | Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 20 |
| Pages of publication | 7265 |
| a | 6.0548 ± 0.0019 Å |
| b | 6.263 ± 0.0016 Å |
| c | 17.151 ± 0.005 Å |
| α | 92.206 ± 0.018° |
| β | 90.083 ± 0.015° |
| γ | 115.426 ± 0.014° |
| Cell volume | 586.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1503 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244483 (current) | 2019-11-28 | cif/ Adding structures of 7238967, 7238968, 7238969, 7238970 via cif-deposit CGI script. |
7238969.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.