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Information card for entry 4033858
Preview
| Coordinates | 4033858.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H49 O4 |
|---|---|
| Calculated formula | C33 H49 O4 |
| Title of publication | Echingridimer A, an Oxaspiro Dimeric Sesquiterpenoid with a 6/6/5/6/6 Fused Ring System from <i>Echinops grijsii</i> and Aphicidal Activity Evaluation. |
| Authors of publication | Liu, Tingting; Wu, Haibo; Jiang, Hongyun; Zhang, Lan; Zhang, Yanning; Mao, Liangang |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 17 |
| Pages of publication | 10757 - 10763 |
| a | 8.0294 ± 0.0004 Å |
| b | 12.7216 ± 0.0006 Å |
| c | 16.3848 ± 0.001 Å |
| α | 108.971 ± 0.005° |
| β | 90.502 ± 0.004° |
| γ | 107.466 ± 0.004° |
| Cell volume | 1499.25 ± 0.15 Å3 |
| Cell temperature | 106.6 K |
| Ambient diffraction temperature | 106.6 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1349 |
| Weighted residual factors for all reflections included in the refinement | 0.1482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222435 (current) | 2019-11-04 | cif/ Adding structures of 4033858 via cif-deposit CGI script. |
4033858.cif |
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