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Information card for entry 4032397
Preview
Coordinates | 4032397.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H22 O5 |
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Calculated formula | C18 H22 O5 |
SMILES | O1[C@@H](C[C@@H](CC1)c1cc(OC)c(OC)cc1OC)c1occc1.O1[C@H](C[C@H](CC1)c1cc(OC)c(OC)cc1OC)c1occc1 |
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 | 6.9484 ± 0.0011 Å |
b | 9.974 ± 0.0015 Å |
c | 11.9674 ± 0.0018 Å |
α | 80.017 ± 0.006° |
β | 86.243 ± 0.008° |
γ | 86.393 ± 0.008° |
Cell volume | 813.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.044 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.1076 |
Weighted residual factors for all reflections included in the refinement | 0.1114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
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/4032397.html
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