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Information card for entry 4109478
Preview
| Coordinates | 4109478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H54 K2 O4 |
|---|---|
| Calculated formula | C50 H54 K2 O4 |
| Title of publication | Penultimate Effect in Ethylene-Styrene Copolymerization and the Discovery of Highly Active Ethylene-Styrene Catalysts with Increased Styrene Reactivity |
| Authors of publication | Daniel J. Arriola; Marilyn Bokota; Richard E. Campbell; Jerzy Klosin; Robert E. LaPointe; O. David Redwine; Ravi B. Shankar; Francis J. Timmers; Khalil A. Abboud |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 7065 - 7076 |
| a | 9.8536 ± 0.0006 Å |
| b | 12.7084 ± 0.0007 Å |
| c | 18.994 ± 0.001 Å |
| α | 71.511 ± 0.001° |
| β | 89.515 ± 0.001° |
| γ | 77.149 ± 0.001° |
| Cell volume | 2194.3 ± 0.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1284 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4109478.cif |
| 178840 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/94. |
4109478.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109478.cif |
| 58252 | 2012-05-25 | cif/ Adding structures of 4109478 via cif-deposit CGI script. |
4109478.cif |
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Users of the data should acknowledge the original authors of the
structural data.