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Information card for entry 4028412
Preview
Coordinates | 4028412.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H23 F2 N O4 |
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Calculated formula | C24 H23 F2 N O4 |
SMILES | Fc1ccc([C@@H](O)CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1.O |
Title of publication | Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor |
Authors of publication | Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 7048 - 7057 |
a | 6.2411 ± 0.0004 Å |
b | 15.4844 ± 0.0009 Å |
c | 22.3655 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2161.4 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.062 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.0923 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54178 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/4028412.html
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Users of the data should acknowledge the original authors of the
structural data.