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Information card for entry 4032091
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4032091.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H23 N O2 S |
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Calculated formula | C22 H23 N O2 S |
SMILES | c1(ccc(C)cc1)S(=O)(=O)N1C[C@H]2C[C@H]3C1=C([C@H]3CC2)c1ccccc1.c1(ccc(C)cc1)S(=O)(=O)N1C[C@@H]2C[C@@H]3C1=C([C@@H]3CC2)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 | 7.9999 ± 0.0006 Å |
b | 10.3733 ± 0.0008 Å |
c | 11.7494 ± 0.0009 Å |
α | 86.701 ± 0.002° |
β | 72.034 ± 0.002° |
γ | 86.782 ± 0.002° |
Cell volume | 925.19 ± 0.12 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0553 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1328 |
Weighted residual factors for all reflections included in the refinement | 0.1542 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
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/4032091.html
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Users of the data should acknowledge the original authors of the
structural data.