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Information card for entry 4325693
Preview
Coordinates | 4325693.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H48 Al2 N2 O8 |
---|---|
Calculated formula | C42 H48 Al2 N2 O8 |
SMILES | [Al]123([N](=Cc4c(c(ccc4)OC)O1)[C@H]1[C@@H](CCCC1)[O]2[Al]12([N](=Cc4c(c(ccc4)OC)O1)[C@H]1[C@@H](CCCC1)[O]32)OCc1ccccc1)OCc1ccccc1.[Al]123([N](=Cc4c(c(ccc4)OC)O1)[C@@H]1[C@H](CCCC1)[O]2[Al]12([N](=Cc4c(c(ccc4)OC)O1)[C@@H]1[C@H](CCCC1)[O]32)OCc1ccccc1)OCc1ccccc1 |
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 | 20.036 ± 0.002 Å |
b | 13.6282 ± 0.0014 Å |
c | 17.6152 ± 0.0019 Å |
α | 90° |
β | 96.586 ± 0.006° |
γ | 90° |
Cell volume | 4778.2 ± 0.9 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1061 |
Residual factor for significantly intense reflections | 0.0964 |
Weighted residual factors for significantly intense reflections | 0.2061 |
Weighted residual factors for all reflections included in the refinement | 0.2099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4325693.html
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Users of the data should acknowledge the original authors of the
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