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Information card for entry 7112834
Preview
| Coordinates | 7112834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7112834.cif |
| 180242 | 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 |
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Users of the data should acknowledge the original authors of the
structural data.