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Information card for entry 7151655
Preview
| Coordinates | 7151655.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C68 H57 N4 O14 Pr Zn2 |
|---|---|
| Calculated formula | C68 H57 N4 O14 Pr Zn2 |
| SMILES | [Pr]12345([O]=C(O[Zn]6([n]7cccc8ccc9ccc[n]6c9c78)(OC(=[O]1)c1ccc(cc1)C)[O]2C(=O)C)c1ccc(cc1)C)([O]=C([O]3)C)[O]=C(O[Zn]1([n]2cccc3ccc6ccc[n]1c6c23)(OC(=[O]4)c1ccc(cc1)C)OC(=[O]5)c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides. |
| Authors of publication | Chen, Guofei; Fu, Chunling; Ma, Shengming |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 1 |
| Pages of publication | 105 - 110 |
| a | 10.719 ± 0.002 Å |
| b | 21.494 ± 0.004 Å |
| c | 26.116 ± 0.005 Å |
| α | 90° |
| β | 90.83 ± 0.03° |
| γ | 90° |
| Cell volume | 6016 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0973 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.0916 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7151655.cif |
| 180302 | 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 7/15/16. |
7151655.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151655.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151655.cif |
| 14975 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151651, 7151652, 7151653, 7151654, 7151655 via cif-deposit CGI script. |
7151655.cif |
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