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Information card for entry 1562176
Preview
Coordinates | 1562176.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H22 O4 |
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Calculated formula | C16 H22 O4 |
SMILES | O[C@H]1c2c(c(OC)ccc2OC)C[C@H](C)[C@@]1(C)C(=O)C |
Title of publication | Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction. |
Authors of publication | Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu |
Journal of publication | Chemical science |
Year of publication | 2021 |
Journal volume | 12 |
Journal issue | 21 |
Pages of publication | 7575 - 7582 |
a | 8.0972 ± 0.0001 Å |
b | 7.0855 ± 0.0001 Å |
c | 13.1638 ± 0.0002 Å |
α | 90° |
β | 107.604 ± 0.001° |
γ | 90° |
Cell volume | 719.875 ± 0.018 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0268 |
Residual factor for significantly intense reflections | 0.0267 |
Weighted residual factors for significantly intense reflections | 0.0708 |
Weighted residual factors for all reflections included in the refinement | 0.0709 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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