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Information card for entry 1547560
Preview
Coordinates | 1547560.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H16 O4 |
---|---|
Calculated formula | C14 H16 O4 |
SMILES | O1[C@H](CCC)[C@@H](C(=O)O)[C@H](c2ccccc2)C1=O.O1[C@@H](CCC)[C@H](C(=O)O)[C@@H](c2ccccc2)C1=O |
Title of publication | Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives. |
Authors of publication | Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 18 |
Pages of publication | 4722 - 4725 |
a | 8.22602 ± 0.00016 Å |
b | 15.4712 ± 0.0003 Å |
c | 10.0483 ± 0.0002 Å |
α | 90° |
β | 103.364 ± 0.002° |
γ | 90° |
Cell volume | 1244.18 ± 0.04 Å3 |
Cell temperature | 123 ± 0.1 K |
Ambient diffraction temperature | 123 ± 0.1 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 | 0.035 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0753 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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