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Information card for entry 4130316
Preview
Coordinates | 4130316.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 O2 |
---|---|
Calculated formula | C18 H18 O2 |
SMILES | O1c2ccccc2[C@H]2[C@@H]1O[C@H](c1ccc(cc1)C)[C@H]2C |
Title of publication | Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans. |
Authors of publication | Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 12 |
Pages of publication | 4014 - 4017 |
a | 7.43203 ± 0.00005 Å |
b | 8.92309 ± 0.00005 Å |
c | 21.25373 ± 0.00013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1409.48 ± 0.015 Å3 |
Cell temperature | 180 ± 0.14 K |
Ambient diffraction temperature | 180 ± 0.14 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 | 0.0263 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for significantly intense reflections | 0.0639 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4130316.html
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