Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7112834
Preview
Coordinates | 7112834.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H29 N O2 |
---|---|
Calculated formula | C24 H29 N O2 |
SMILES | O1C(C(=O)N(c2c(C(C)(C)C)cccc2)C21CCCCC2)c1ccccc1 |
Title of publication | Photochemical type II reaction of atropchiral benzoylformamides to point chiral oxazolidin-4-ones. Axial chiral memory leading to enantiomeric resolution of photoproducts. |
Authors of publication | Jesuraj, Josepha L.; Sivaguru, J. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 26 |
Pages of publication | 4791 - 4793 |
a | 12.223 ± 0.008 Å |
b | 10.426 ± 0.006 Å |
c | 16.072 ± 0.01 Å |
α | 90° |
β | 93.259 ± 0.009° |
γ | 90° |
Cell volume | 2045 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0622 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.1263 |
Weighted residual factors for all reflections included in the refinement | 0.1394 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180242 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28. |
7112834.cif |
112114 | 2014-04-29 | cif/ Adding structures of 7112831, 7112832, 7112833, 7112834, 7112835 via cif-deposit CGI script. |
7112834.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.