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Information card for entry 1502219
Preview
Coordinates | 1502219.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H32 Cl F O4 |
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Calculated formula | C30 H32 Cl F O4 |
SMILES | O=C(O[C@H](c1ccccc1)[C@](C(=O)O[C@@H]1[C@H](CC[C@@H](C1)C)C(C)C)(Cl)F)c1ccc2ccccc2c1 |
Title of publication | Enantioselective gem-chlorofluorination of active methylene compounds using a chiral spiro oxazoline ligand. |
Authors of publication | Shibatomi, Kazutaka; Narayama, Akira; Soga, Yoshinori; Muto, Tsubasa; Iwasa, Seiji |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 11 |
Pages of publication | 2944 - 2947 |
a | 10.3798 ± 0.0009 Å |
b | 14.597 ± 0.0014 Å |
c | 18.4891 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2801.4 ± 0.5 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 5 |
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 | 0.0785 |
Residual factor for significantly intense reflections | 0.0631 |
Weighted residual factors for significantly intense reflections | 0.147 |
Weighted residual factors for all reflections included in the refinement | 0.1569 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1502219.html
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