Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4028007
Preview
Coordinates | 4028007.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H34 N2 O4 S |
---|---|
Calculated formula | C32 H34 N2 O4 S |
SMILES | S(=O)(=O)(N[C@H]([C@](NCc1ccccc1)(C(=O)OCC)Cc1ccccc1)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N[C@@H]([C@@](NCc1ccccc1)(C(=O)OCC)Cc1ccccc1)c1ccccc1)c1ccc(cc1)C |
Title of publication | Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines |
Authors of publication | Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 2311 - 2326 |
a | 10.408 ± 0.005 Å |
b | 11.505 ± 0.005 Å |
c | 13.445 ± 0.005 Å |
α | 101.221 ± 0.005° |
β | 106.997 ± 0.005° |
γ | 107.056 ± 0.005° |
Cell volume | 1401 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1131 |
Residual factor for significantly intense reflections | 0.0767 |
Weighted residual factors for significantly intense reflections | 0.2 |
Weighted residual factors for all reflections included in the refinement | 0.2923 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 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/4028007.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.