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Information card for entry 4128882
Preview
Coordinates | 4128882.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 O2 |
---|---|
Calculated formula | C18 H20 O2 |
SMILES | O=C([C@@](c1ccc(O)cc1)(c1ccccc1)CC)CC |
Title of publication | Catalytic Enantioselective House-Meinwald Rearrangement: Efficient Construction of All-Carbon Quaternary Stereocenters. |
Authors of publication | Ma, Dengke; Miao, Chun-Bao; Sun, Jianwei |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 35 |
Pages of publication | 13783 - 13787 |
a | 7.43535 ± 0.00011 Å |
b | 12.70493 ± 0.00017 Å |
c | 15.2334 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1439.03 ± 0.03 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.0247 |
Residual factor for significantly intense reflections | 0.0243 |
Weighted residual factors for significantly intense reflections | 0.0614 |
Weighted residual factors for all reflections included in the refinement | 0.0617 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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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The link is: https://www.crystallography.net/4128882.html
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