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Information card for entry 4032086
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4032086.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H23 N O4 S |
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Calculated formula | C22 H23 N O4 S |
SMILES | c1(ccc(C)cc1)S(=O)(=O)N1C(=O)[C@H]2C[C@@H](C1)CC[C@H]2C(=O)c1ccccc1.c1(ccc(C)cc1)S(=O)(=O)N1C(=O)[C@@H]2C[C@H](C1)CC[C@@H]2C(=O)c1ccccc1 |
Title of publication | Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes. |
Authors of publication | Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 1 |
Pages of publication | 481 - 501 |
a | 16.9926 ± 0.0004 Å |
b | 6.4698 ± 0.0001 Å |
c | 18.8075 ± 0.0005 Å |
α | 90° |
β | 109.766 ± 0.001° |
γ | 90° |
Cell volume | 1945.85 ± 0.08 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0636 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.1201 |
Weighted residual factors for all reflections included in the refinement | 0.1313 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/4032086.html
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Users of the data should acknowledge the original authors of the
structural data.