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Information card for entry 1557170
Preview
| Coordinates | 1557170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H21 Cl O6 |
|---|---|
| Calculated formula | C22 H21 Cl O6 |
| Title of publication | Oxygenated Cyclohexene Derivatives and Other Constituents from the Roots of <i>Monanthotaxis trichocarpa</i>. |
| Authors of publication | Maeda, Gasper; van der Wal, Jelle; Gupta, Arvind Kumar; Munissi, Joan J. E.; Orthaber, Andreas; Sunnerhagen, Per; Nyandoro, Stephen S.; Erdélyi, Máté |
| Journal of publication | Journal of natural products |
| Year of publication | 2020 |
| a | 5.933 ± 0.0005 Å |
| b | 13.4485 ± 0.0011 Å |
| c | 12.3282 ± 0.001 Å |
| α | 90° |
| β | 96.291 ± 0.001° |
| γ | 90° |
| Cell volume | 977.74 ± 0.14 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247318 (current) | 2020-01-29 | cif/ Adding structures of 1557170 via cif-deposit CGI script. |
1557170.cif |
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Users of the data should acknowledge the original authors of the
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