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Information card for entry 1502385
Preview
Coordinates | 1502385.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H35 N O5 |
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Calculated formula | C30 H35 N O5 |
SMILES | O[C@H]1[C@H](O)[C@H](N2[C@H]([C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]12)COCc1ccccc1)C |
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 | 13.347 ± 0.004 Å |
b | 5.152 ± 0.0015 Å |
c | 19.349 ± 0.006 Å |
α | 90° |
β | 97.644 ± 0.004° |
γ | 90° |
Cell volume | 1318.7 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0522 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.0981 |
Weighted residual factors for all reflections included in the refinement | 0.1006 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1502385.html
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