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Information card for entry 4029310
Preview
Coordinates | 4029310.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H31 Cl N2 O9 S |
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Calculated formula | C34 H31 Cl N2 O9 S |
SMILES | S(=O)(=O)(NC(=C\[C@@H](c1ccc(Cl)cc1)[C@](OCc1ccccc1N(=O)=O)(c1ccccc1)C(=O)OC)/C(=O)OC)c1ccc(cc1)C.S(=O)(=O)(NC(=C\[C@H](c1ccc(Cl)cc1)[C@@](OCc1ccccc1N(=O)=O)(c1ccccc1)C(=O)OC)/C(=O)OC)c1ccc(cc1)C |
Title of publication | Regio- and Diastereoselective Construction of α-Hydroxy-δ-amino Ester Derivatives via 1,4-Conjugate Addition of β,γ-Unsaturated N-Sulfonylimines. |
Authors of publication | Qiu, Lin; Gao, Lixin; Tang, Jixing; Wang, Dongwei; Guo, Xin; Liu, Shunying; Yang, Liping; Li, Jia; Hu, Wenhao |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 9 |
Pages of publication | 4142 - 4147 |
a | 9.9316 ± 0.0004 Å |
b | 13.506 ± 0.0006 Å |
c | 14.3545 ± 0.0006 Å |
α | 106.446 ± 0.001° |
β | 105.813 ± 0.001° |
γ | 103.488 ± 0.001° |
Cell volume | 1673.27 ± 0.12 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0678 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
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/4029310.html
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Users of the data should acknowledge the original authors of the
structural data.