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Information card for entry 1557311
Preview
Coordinates | 1557311.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H13 Cl5 O2 |
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Calculated formula | C12 H13 Cl5 O2 |
SMILES | [C@H]1(C[C@H]2CCC(=C(Cl)Cl)C[C@@]2(C(=O)O1)C)C(Cl)(Cl)Cl.[C@@H]1(C[C@@H]2CCC(=C(Cl)Cl)C[C@]2(C(=O)O1)C)C(Cl)(Cl)Cl |
Title of publication | Sigillins from Springtails Are Potent Natural Insecticides. |
Authors of publication | Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan |
Journal of publication | Journal of natural products |
Year of publication | 2020 |
Journal volume | 83 |
Journal issue | 2 |
Pages of publication | 468 - 472 |
a | 18.071 ± 0.0004 Å |
b | 9.5329 ± 0.0002 Å |
c | 17.7642 ± 0.0005 Å |
α | 90° |
β | 99.613 ± 0.003° |
γ | 90° |
Cell volume | 3017.25 ± 0.13 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 | 0.0433 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.0729 |
Weighted residual factors for all reflections included in the refinement | 0.0763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1557311.html
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Users of the data should acknowledge the original authors of the
structural data.