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Information card for entry 7111589
Preview
| Coordinates | 7111589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H56 N2 O3 Zn |
|---|---|
| Calculated formula | C42 H56 N2 O3 Zn |
| Title of publication | Efficient carbonate synthesis under mild conditions through cycloaddition of carbon dioxide to oxiranes using a Zn(salphen) catalyst |
| Authors of publication | Decortes, Antonello; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W. |
| Journal of publication | Chemical Communications |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 25 |
| Pages of publication | 4580 - 4582 |
| a | 12.02 ± 0.0012 Å |
| b | 12.9735 ± 0.0013 Å |
| c | 13.1293 ± 0.0014 Å |
| α | 91.604 ± 0.006° |
| β | 98.646 ± 0.006° |
| γ | 103.732 ± 0.006° |
| Cell volume | 1962 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0914 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1801 |
| Weighted residual factors for all reflections included in the refinement | 0.2016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7111589.cif |
| 180229 | 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 7/11/15. |
7111589.cif |
| 96688 | 2014-01-29 | cif/ Adding structures of 7111588, 7111589 via cif-deposit CGI script. |
7111589.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.