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Information card for entry 1543797
Preview
Coordinates | 1543797.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H20 O3 |
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Calculated formula | C14 H20 O3 |
SMILES | C1C[C@H]2[C@H](CC[C@@H]3[C@H]([C@@]42[C@@]1(C)O4)OC(=O)C3)C |
Title of publication | Enantioselective Synthesis of Guaianolides in the Osmitopsin Family by Domino Metathesis. |
Authors of publication | Barthel, André; Kaden, Felix; Jäger, Anne; Metz, Peter |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 13 |
Pages of publication | 3298 - 3301 |
a | 6.223 ± 0.001 Å |
b | 7.076 ± 0.001 Å |
c | 28.09 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1236.9 ± 0.3 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0543 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.089 |
Weighted residual factors for all reflections included in the refinement | 0.0943 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1543797.html
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Users of the data should acknowledge the original authors of the
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