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Information card for entry 4030297
Preview
Coordinates | 4030297.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H19 Br O4 |
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Calculated formula | C16 H19 Br O4 |
SMILES | Brc1ccc(cc1)C(=O)O[C@H]1CC[C@H](O[C@@H]1CC(=O)C)C |
Title of publication | Asymmetric Hydroformylation-Initiated Tandem Sequences for Syntheses of (+)-Patulolide C, (-)-Pyrenophorol, (+)-Decarestrictine L, and (+)-Prelog Djerassi Lactone. |
Authors of publication | Risi, Roberto M.; Maza, Andrew M.; Burke, Steven D. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 1 |
Pages of publication | 204 |
a | 28.65 ± 0.011 Å |
b | 4.9547 ± 0.0018 Å |
c | 22.409 ± 0.008 Å |
α | 90° |
β | 97.901 ± 0.013° |
γ | 90° |
Cell volume | 3151 ± 2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0379 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0595 |
Weighted residual factors for all reflections included in the refinement | 0.0616 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4030297.html
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