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Information card for entry 1559491
Preview
Coordinates | 1559491.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | erythro-1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4- [(E)-propenyl]phenoxy}propyl Acetate |
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Formula | C26 H32 O9 |
Calculated formula | C26 H32 O9 |
SMILES | O([C@@H]([C@@H](OC(=O)C)c1cc(OC)c(OC(=O)C)c(OC)c1)C)c1c(OC)cc(cc1OC)/C=C/C.O([C@H]([C@H](OC(=O)C)c1cc(OC)c(OC(=O)C)c(OC)c1)C)c1c(OC)cc(cc1OC)/C=C/C |
Title of publication | Stereochemistry of 1-Arylpropane-1,2-diol 2-Aryl Ethers. X-Ray Structures of the Diastereomers of 1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4- [(E)-propenyl]phenoxy}propyl Acetate |
Authors of publication | Wallis, Adrian F. A.; Lundquist, Knut; Stomberg, Rolf |
Journal of publication | Acta Chemica Scandinavica |
Year of publication | 1991 |
Journal volume | 45 |
Pages of publication | 508 - 516 |
a | 11.713 ± 0.003 Å |
b | 12.548 ± 0.003 Å |
c | 17.713 ± 0.003 Å |
α | 90° |
β | 90.59 ± 0.02° |
γ | 90° |
Cell volume | 2603.2 ± 1 Å3 |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.04 |
Weighted residual factors for all reflections included in the refinement | 0.063 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.26 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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259059 (current) | 2020-11-10 | cif/ Adding structures of 1559491 via cif-deposit CGI script. |
1559491.cif |
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