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Information card for entry 4325689
Preview
Coordinates | 4325689.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H72 Al2 N2 O4 Si2 |
---|---|
Calculated formula | C44 H72 Al2 N2 O4 Si2 |
SMILES | [Al]123(CC)[N](=Cc4c(c(cc(c4)C)[Si](C)(C)C(C)(C)C)O1)[C@H]1[C@@H](CCCC1)[O]2[Al]12(CC)[N](=Cc4c(c(cc(c4)C)[Si](C)(C)C(C)(C)C)O1)[C@H]1[C@@H](CCCC1)[O]32.[Al]123(CC)[N](=Cc4c(c(cc(c4)C)[Si](C)(C)C(C)(C)C)O1)[C@@H]1[C@H](CCCC1)[O]2[Al]12(CC)[N](=Cc4c(c(cc(c4)C)[Si](C)(C)C(C)(C)C)O1)[C@@H]1[C@H](CCCC1)[O]32 |
Title of publication | Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes |
Authors of publication | Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 6775 - 6787 |
a | 9.5815 ± 0.0012 Å |
b | 13.506 ± 0.002 Å |
c | 18.158 ± 0.003 Å |
α | 89.262 ± 0.009° |
β | 86.668 ± 0.009° |
γ | 75.039 ± 0.009° |
Cell volume | 2266.3 ± 0.6 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0962 |
Weighted residual factors for all reflections included in the refinement | 0.1052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4325689.html
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