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Information card for entry 7154006
Preview
Coordinates | 7154006.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H11 I O3 |
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Calculated formula | C9 H11 I O3 |
SMILES | IC[C@@H]1OC(=O)[C@]2(O)[C@H]1C=CCC2.IC[C@H]1OC(=O)[C@@]2(O)[C@@H]1C=CCC2 |
Title of publication | Total synthesis and biological evaluation of atrop-O-benzyl-desmethylabyssomicin C. |
Authors of publication | Matovic, R.; Bihelovic, F.; Gruden-Pavlovic, M; Saicic, R. N. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 39 |
Pages of publication | 7682 - 7685 |
a | 7.6999 ± 0.0005 Å |
b | 8.0494 ± 0.0006 Å |
c | 9.507 ± 0.0007 Å |
α | 104.034 ± 0.006° |
β | 112.572 ± 0.005° |
γ | 100.066 ± 0.006° |
Cell volume | 503.71 ± 0.07 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0593 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.1076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
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/7154006.html
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Users of the data should acknowledge the original authors of the
structural data.