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Information card for entry 4303145
Preview
| Coordinates | 4303145.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C38 H36 N4 O4 |
|---|---|
| Calculated formula | C38 H36 N4 O4 |
| SMILES | Cc1c(c(C)[nH]c2ccccc2nc(C)c(c(C)[nH]c2ccccc2n1)C(=O)c1cc(ccc1)OC)C(=O)c1cccc(c1)OC |
| Title of publication | Copolymerization of Epoxides and Carbon Dioxide. Evidence Supporting the Lack of Dual Catalysis at a Single Metal Site |
| Authors of publication | Donald J. Darensbourg; Shawn B. Fitch |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 8668 - 8677 |
| a | 11.039 ± 0.007 Å |
| b | 20.966 ± 0.013 Å |
| c | 14.447 ± 0.009 Å |
| α | 90° |
| β | 109.086 ± 0.011° |
| γ | 90° |
| Cell volume | 3160 ± 3 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1246 |
| Residual factor for significantly intense reflections | 0.0693 |
| Weighted residual factors for significantly intense reflections | 0.1433 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4303145.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4303145.cif |
| 179069 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/31. |
4303145.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303145.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303145.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303145.cif |
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Users of the data should acknowledge the original authors of the
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