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Information card for entry 1502383
Preview
Coordinates | 1502383.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H39 N O4 S2 |
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Calculated formula | C33 H39 N O4 S2 |
SMILES | S1C2(SCCC1)[C@@H]1N([C@@H]([C@H]2O)C)[C@H]([C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)COCc1ccccc1 |
Title of publication | Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization. |
Authors of publication | Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 16 |
Pages of publication | 4414 - 4417 |
a | 10.1866 ± 0.0015 Å |
b | 13.017 ± 0.002 Å |
c | 22.877 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3033.5 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0646 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.1218 |
Weighted residual factors for all reflections included in the refinement | 0.1249 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
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/1502383.html
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Users of the data should acknowledge the original authors of the
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