Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4032090
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4032090.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H31 N O4 S |
---|---|
Calculated formula | C22 H31 N O4 S |
SMILES | c1(ccc(C)cc1)S(=O)(=O)N1C(=O)[C@H]2C[C@@H](C1)CC[C@H]2C(=O)CCCCCC.c1(ccc(C)cc1)S(=O)(=O)N1C(=O)[C@@H]2C[C@H](C1)CC[C@@H]2C(=O)CCCCCC |
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 | 35.628 ± 0.004 Å |
b | 7.7768 ± 0.0009 Å |
c | 15.986 ± 0.003 Å |
α | 90° |
β | 105.13 ± 0.004° |
γ | 90° |
Cell volume | 4275.7 ± 1.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0758 |
Residual factor for significantly intense reflections | 0.0658 |
Weighted residual factors for significantly intense reflections | 0.1895 |
Weighted residual factors for all reflections included in the refinement | 0.196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
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/4032090.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.