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Information card for entry 4089113
Preview
Coordinates | 4089113.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H53 Al N2 O2 |
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Calculated formula | C38 H53 Al N2 O2 |
SMILES | [Al]123(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C=[N]1c1ccccc1[N]3(C)Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)C |
Title of publication | Zirconium vs Aluminum Salalen Initiators for the Production of Biopolymers |
Authors of publication | Kirk, Sarah M.; Kociok-Köhn, Gabriele; Jones, Matthew D. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 22 |
Pages of publication | 3837 |
a | 9.3664 ± 0.0001 Å |
b | 29.9373 ± 0.0002 Å |
c | 13.1004 ± 0.0001 Å |
α | 90° |
β | 105.974 ± 0.001° |
γ | 90° |
Cell volume | 3531.57 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 0.1 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 | 0.0353 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.0872 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/4089113.html
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