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Information card for entry 1508888
Preview
Coordinates | 1508888.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tethered kingianin precursor |
---|---|
Formula | C40 H42 O8 |
Calculated formula | C40 H42 O8 |
SMILES | O1C[C@@H]2[C@@H]3[C@@H]([C@H]4[C@H]5[C@@H]([C@@H]3C=C4)[C@H]3[C@@H](C=C5)[C@@H](Cc4cc5OCOc5cc4)[C@@H]3COC(=O)CCCCC1=O)[C@H]2Cc1cc2OCOc2cc1.O1C[C@H]2[C@H]3[C@H]([C@@H]4[C@@H]5[C@H]([C@H]3C=C4)[C@@H]3[C@H](C=C5)[C@H](Cc4cc5OCOc5cc4)[C@H]3COC(=O)CCCCC1=O)[C@@H]2Cc1cc2OCOc2cc1 |
Title of publication | Total synthesis of kingianin a. |
Authors of publication | Lim, Hee Nam; Parker, Kathlyn A. |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 2 |
Pages of publication | 398 - 401 |
a | 7.2612 ± 0.0005 Å |
b | 46.73 ± 0.004 Å |
c | 9.8379 ± 0.0008 Å |
α | 90° |
β | 104.021 ± 0.009° |
γ | 90° |
Cell volume | 3238.7 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1911 |
Residual factor for significantly intense reflections | 0.0681 |
Weighted residual factors for significantly intense reflections | 0.1197 |
Weighted residual factors for all reflections included in the refinement | 0.1756 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/1508888.html
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Users of the data should acknowledge the original authors of the
structural data.