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Information card for entry 4032220
Preview
Coordinates | 4032220.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H17 I O4 |
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Calculated formula | C11 H17 I O4 |
SMILES | IC1=C[C@@H](OC)[C@@H](OC)[C@@H]2OC(O[C@H]12)(C)C |
Title of publication | The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents. |
Authors of publication | Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 1 |
Pages of publication | 211 - 233 |
a | 7.813 ± 0.0001 Å |
b | 11.5034 ± 0.0002 Å |
c | 14.4925 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1302.53 ± 0.03 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0221 |
Residual factor for significantly intense reflections | 0.021 |
Weighted residual factors for all reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.0504 |
Weighted residual factors for all reflections included in the refinement | 0.0511 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0039 |
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/4032220.html
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