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Information card for entry 4032226
Preview
Coordinates | 4032226.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H25 N O3 S |
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Calculated formula | C23 H25 N O3 S |
SMILES | c1(ccc(C)cc1)S(=O)(=O)N1C2=Cc3cc(ccc3[C@@H]3[C@H]2[C@@H](CCC3)C1)OC.c1(ccc(C)cc1)S(=O)(=O)N1C2=Cc3cc(ccc3[C@H]3[C@@H]2[C@H](CCC3)C1)OC |
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 | 18.318 ± 0.006 Å |
b | 5.547 ± 0.002 Å |
c | 20.496 ± 0.007 Å |
α | 90° |
β | 109.811 ± 0.006° |
γ | 90° |
Cell volume | 1959.3 ± 1.2 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 | 0.0955 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for significantly intense reflections | 0.1086 |
Weighted residual factors for all reflections included in the refinement | 0.1266 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032226.html
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