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Information card for entry 7238416
Preview
| Coordinates | 7238416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (+/-)-<i>c</i>-5-bromo-<i>c</i>-4-isopropyl-<i>r</i> -1-methyl-7-oxa-<i>cis</i>-bicyclo[4.3.0]nonan-8-one |
|---|---|
| Formula | C12 H19 Br O2 |
| Calculated formula | C12 H19 Br O2 |
| Title of publication | Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior |
| Authors of publication | Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław |
| Journal of publication | RSC Advances |
| Year of publication | 2011 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | 498 |
| a | 17.359 ± 0.003 Å |
| b | 10.889 ± 0.002 Å |
| c | 6.611 ± 0.002 Å |
| α | 90° |
| β | 99.36 ± 0.03° |
| γ | 90° |
| Cell volume | 1233 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0557 |
| Weighted residual factors for all reflections included in the refinement | 0.0577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238416.cif |
| 244165 | 2019-11-28 | cif/ Adding structures of 7238410, 7238411, 7238412, 7238413, 7238414, 7238415, 7238416, 7238417 via cif-deposit CGI script. |
7238416.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.