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Information card for entry 1543629
Preview
Coordinates | 1543629.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H20 O5 |
---|---|
Calculated formula | C19 H20 O5 |
SMILES | O1c2c(cc(O)c(c2)C)[C@@]2(Oc3cc(c(O)cc3[C@@H]([C@H]12)C)C)CO.O1c2c(cc(O)c(c2)C)[C@]2(Oc3cc(c(O)cc3[C@H]([C@@H]12)C)C)CO |
Title of publication | A Total Synthesis of Paeoveitol. |
Authors of publication | Xu, Lun; Liu, Fengyi; Xu, Li-Wen; Gao, Ziwei; Zhao, Yu-Ming |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 15 |
Pages of publication | 3698 - 3701 |
a | 19.3064 ± 0.0009 Å |
b | 8.9818 ± 0.0004 Å |
c | 18.1833 ± 0.0008 Å |
α | 90° |
β | 95.154 ± 0.002° |
γ | 90° |
Cell volume | 3140.3 ± 0.2 Å3 |
Cell temperature | 153 K |
Ambient diffraction temperature | 153 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0598 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1186 |
Weighted residual factors for all reflections included in the refinement | 0.1261 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 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/1543629.html
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Users of the data should acknowledge the original authors of the
structural data.