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Information card for entry 4132352
Preview
Coordinates | 4132352.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H22 O4 |
---|---|
Calculated formula | C19 H22 O4 |
SMILES | O(c1c(c2c3[C@]4(O)[C@]5(CCc3c1)[C@H](C[C@@H](OC5=O)[C@@H]4C2)C)C)C.O(c1c(c2c3[C@@]4(O)[C@@]5(CCc3c1)[C@@H](C[C@H](OC5=O)[C@H]4C2)C)C)C |
Title of publication | Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation. |
Authors of publication | Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 16 |
Pages of publication | 5653 - 5658 |
a | 9.4065 ± 0.001 Å |
b | 14.5426 ± 0.0016 Å |
c | 11.1202 ± 0.0012 Å |
α | 90° |
β | 91.584 ± 0.003° |
γ | 90° |
Cell volume | 1520.6 ± 0.3 Å3 |
Cell temperature | 162 K |
Ambient diffraction temperature | 162.9 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 all reflections | 0.0375 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0905 |
Weighted residual factors for all reflections included in the refinement | 0.091 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4132352.html
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