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Information card for entry 4132770
Preview
Coordinates | 4132770.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H22 O3 |
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Calculated formula | C20 H22 O3 |
SMILES | O=C1C=C[C@@]2([C@@H]3OC(=O)[C@H]1[C@@H]3c1c(ccc(c1)CC)C2(C)C)C.O=C1C=C[C@]2([C@H]3OC(=O)[C@@H]1[C@H]3c1c(ccc(c1)CC)C2(C)C)C |
Title of publication | Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium. |
Authors of publication | Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 27 |
Pages of publication | 8444 - 8447 |
a | 27.498 ± 0.006 Å |
b | 7.6508 ± 0.0018 Å |
c | 15.583 ± 0.004 Å |
α | 90° |
β | 90.715 ± 0.006° |
γ | 90° |
Cell volume | 3278.1 ± 1.3 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 3 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.1484 |
Residual factor for significantly intense reflections | 0.1179 |
Weighted residual factors for significantly intense reflections | 0.3162 |
Weighted residual factors for all reflections included in the refinement | 0.3419 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.314 |
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/4132770.html
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Users of the data should acknowledge the original authors of the
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