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Information card for entry 4132769
Preview
Coordinates | 4132769.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H24 O |
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Calculated formula | C20 H24 O |
SMILES | O=C1[C@@H]2CC=C[C@@]3([C@H]1[C@H]2c1c(ccc(c1)CC)C3(C)C)C.O=C1[C@H]2CC=C[C@]3([C@@H]1[C@@H]2c1c(ccc(c1)CC)C3(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 | 9.9024 ± 0.0004 Å |
b | 17.7073 ± 0.0008 Å |
c | 8.9301 ± 0.0003 Å |
α | 90° |
β | 100.908 ± 0.001° |
γ | 90° |
Cell volume | 1537.56 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0547 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.1109 |
Weighted residual factors for all reflections included in the refinement | 0.1174 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4132769.html
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Users of the data should acknowledge the original authors of the
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