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Information card for entry 1555788
Preview
Coordinates | 1555788.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H27 N O6 S |
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Calculated formula | C31 H27 N O6 S |
SMILES | S(=O)(=O)(N(C1=CC(c2cc3OCOc3cc2O1)c1ccc(OC)cc1)Cc1ccccc1)c1ccc(cc1)C |
Title of publication | AlCl<sub>3</sub>-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality. |
Authors of publication | Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 19 |
Pages of publication | 5022 - 5025 |
a | 9.6744 ± 0.0019 Å |
b | 11.557 ± 0.002 Å |
c | 12.09 ± 0.002 Å |
α | 86.67 ± 0.03° |
β | 80.45 ± 0.03° |
γ | 87.22 ± 0.03° |
Cell volume | 1329.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1136 |
Residual factor for significantly intense reflections | 0.0828 |
Weighted residual factors for significantly intense reflections | 0.2068 |
Weighted residual factors for all reflections included in the refinement | 0.2319 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
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/1555788.html
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Users of the data should acknowledge the original authors of the
structural data.