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Information card for entry 1571497
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| Coordinates | 1571497.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Germacrone |
|---|---|
| Chemical name | (3<i>E</i>,7<i>E</i>)-3,7-Dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one |
| Formula | C15 H22 O |
| Calculated formula | C15 H22 O |
| Title of publication | Redetermination of germacrone type II based on single-crystal X-ray data |
| Authors of publication | Meurer, Florian; Bodensteiner, Michael; Kolev, Iliyan |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 4 |
| a | 25.6112 ± 0.0006 Å |
| b | 9.7565 ± 0.0002 Å |
| c | 10.3664 ± 0.0002 Å |
| α | 90° |
| β | 95.169 ± 0.002° |
| γ | 90° |
| Cell volume | 2579.78 ± 0.09 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0733 |
| Weighted residual factors for all reflections included in the refinement | 0.0768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0708 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291391 (current) | 2024-04-27 | cif/ Adding structures of 1571497 via cif-deposit CGI script. |
1571497.cif |
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Users of the data should acknowledge the original authors of the
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