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Information card for entry 4032398
Preview
Coordinates | 4032398.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H19 Cl O4 |
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Calculated formula | C16 H19 Cl O4 |
SMILES | Clc1ccc([C@@H](C[C@H](O)c2occc2)C(CO)CO)cc1.Clc1ccc([C@H](C[C@@H](O)c2occc2)C(CO)CO)cc1 |
Title of publication | Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans. |
Authors of publication | Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 7 |
Pages of publication | 3441 - 3455 |
a | 14.243 ± 0.003 Å |
b | 8.5982 ± 0.0019 Å |
c | 12.723 ± 0.003 Å |
α | 90° |
β | 105.996 ± 0.003° |
γ | 90° |
Cell volume | 1497.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0539 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1167 |
Weighted residual factors for all reflections included in the refinement | 0.1238 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
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/4032398.html
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