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Information card for entry 1555190
Preview
Coordinates | 1555190.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H25 N O4 S |
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Calculated formula | C25 H25 N O4 S |
SMILES | S(=O)(=O)(N[C@@H]1Oc2c([C@@H](CC(=O)c3ccc(cc3)C)C1)cccc2)c1ccc(cc1)C |
Title of publication | Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals |
Authors of publication | Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 22 |
Pages of publication | 3725 |
a | 26.476 ± 0.004 Å |
b | 9.6581 ± 0.0015 Å |
c | 9.1391 ± 0.0014 Å |
α | 90° |
β | 98.974 ± 0.003° |
γ | 90° |
Cell volume | 2308.3 ± 0.6 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0634 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.0848 |
Weighted residual factors for all reflections included in the refinement | 0.095 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
238378 (current) | 2019-11-24 | cif/ Adding structures of 1555189, 1555190, 1555191 via cif-deposit CGI script. |
1555190.cif |
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Users of the data should acknowledge the original authors of the
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