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Information card for entry 1559259
Preview
Coordinates | 1559259.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | erythro-3-Hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic Acid |
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Formula | C16 H16 O5 |
Calculated formula | C16 H16 O5 |
SMILES | O(c1ccc(cc1)[C@@H](O)[C@@H](Oc1ccccc1)C(=O)O)C.O(c1ccc(cc1)[C@H](O)[C@H](Oc1ccccc1)C(=O)O)C |
Title of publication | Stereochemistry of Arylglycerol beta-Aryl Ethers. Crystal Structure of erythro-3-Hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic Acid |
Authors of publication | Johansson, Anders; Lundquist, Knut; Stomberg, Rolf |
Journal of publication | Acta Chemica Scandinavica |
Year of publication | 1992 |
Journal volume | 46 |
Pages of publication | 901 - 905 |
a | 9.785 ± 0.001 Å |
b | 13.369 ± 0.002 Å |
c | 5.768 ± 0.001 Å |
α | 101.74 ± 0.01° |
β | 92.43 ± 0.01° |
γ | 102.77 ± 0.01° |
Cell volume | 717.46 ± 0.19 Å3 |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.047 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.09 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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