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Information card for entry 4026399
Preview
Coordinates | 4026399.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H22 O4 |
---|---|
Calculated formula | C16 H22 O4 |
SMILES | C(C)(C)(C)OC(=O)[C@H]1[C@H]([C@@H](CCc2ccccc2)O)O1 |
Title of publication | Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones |
Authors of publication | Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 5149 - 5155 |
a | 8.8595 ± 0.0006 Å |
b | 5.7645 ± 0.0003 Å |
c | 15.8715 ± 0.0011 Å |
α | 90° |
β | 103.206 ± 0.007° |
γ | 90° |
Cell volume | 789.13 ± 0.09 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0516 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.0975 |
Weighted residual factors for all reflections included in the refinement | 0.1019 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 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/4026399.html
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