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Information card for entry 4122881
Preview
Coordinates | 4122881.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | AP588 |
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Formula | C19 H18 O2 |
Calculated formula | C19 H18 O2 |
SMILES | c12ccccc1CCC[C@]12C[C@@H]1OC(=O)c1ccccc1.c12ccccc1CCC[C@@]12C[C@H]1OC(=O)c1ccccc1 |
Title of publication | Copper-Catalyzed Diastereo- and Enantioselective Desymmetrization of Cyclopropenes: Synthesis of Cyclopropylboronates. |
Authors of publication | Parra, Alejandro; Amenós, Laura; Guisán-Ceinos, Manuel; López, Aurora; García Ruano, José Luis; Tortosa, Mariola |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Pages of publication | 141031133923007 |
a | 10.7904 ± 0.0003 Å |
b | 14.1523 ± 0.0004 Å |
c | 20.1412 ± 0.0005 Å |
α | 90° |
β | 97.716 ± 0.001° |
γ | 90° |
Cell volume | 3047.89 ± 0.14 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0524 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.1176 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4122881.html
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