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Information card for entry 1554337
Preview
| Coordinates | 1554337.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 Cl N O3 |
|---|---|
| Calculated formula | C20 H24 Cl N O3 |
| Title of publication | Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines |
| Authors of publication | Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S. |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 14 |
| Pages of publication | 2171 |
| a | 11.4568 ± 0.0005 Å |
| b | 11.4834 ± 0.0003 Å |
| c | 14.2866 ± 0.0007 Å |
| α | 94.508 ± 0.003° |
| β | 106.183 ± 0.004° |
| γ | 90.764 ± 0.002° |
| Cell volume | 1798.31 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0761 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1833 |
| Weighted residual factors for all reflections included in the refinement | 0.1899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237138 (current) | 2019-11-24 | cif/ Adding structures of 1554336, 1554337, 1554338, 1554339, 1554340, 1554341, 1554342, 1554343 via cif-deposit CGI script. |
1554337.cif |
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Users of the data should acknowledge the original authors of the
structural data.