Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7151730
Preview
Coordinates | 7151730.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1,2-syn-2,3-anti-iodoalcohol |
---|---|
Chemical name | (1S,2S,3S)-1-(2',2',2'-trichloromethylcarbonylamino)-2-hydroxy-3-iodocyclohexane |
Formula | C8 H11 Cl3 I N O2 |
Calculated formula | C8 H11 Cl3 I N O2 |
SMILES | I[C@H]1CCC[C@H](NC(=O)C(Cl)(Cl)Cl)[C@@H]1O |
Title of publication | Stereoselective synthesis of polyhydroxylated aminocyclohexanes. |
Authors of publication | Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 8 |
Pages of publication | 2801 - 2808 |
a | 8.0678 ± 0.0001 Å |
b | 16.6957 ± 0.0002 Å |
c | 9.6537 ± 0.0001 Å |
α | 90° |
β | 99.437 ± 0.001° |
γ | 90° |
Cell volume | 1282.73 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0449 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for all reflections included in the refinement | 0.0585 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180303 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17. |
7151730.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151730.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151730.cif |
21245 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151730, 7151731 via cif-deposit CGI script. |
7151730.cif |
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.