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Information card for entry 1547559
Preview
Coordinates | 1547559.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H14 O5 |
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Calculated formula | C15 H14 O5 |
SMILES | O1C(=C[C@H]2[C@@](c3ccccc3)([C@@H]12)C(=O)OC)C(=O)OC |
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 | 9.82867 ± 0.00019 Å |
b | 6.11703 ± 0.00012 Å |
c | 11.6406 ± 0.0002 Å |
α | 90° |
β | 100.472 ± 0.0019° |
γ | 90° |
Cell volume | 688.2 ± 0.02 Å3 |
Cell temperature | 123.01 ± 0.1 K |
Ambient diffraction temperature | 123.01 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0268 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.0763 |
Weighted residual factors for all reflections included in the refinement | 0.0768 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
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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