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Information card for entry 4082852
Preview
Coordinates | 4082852.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C67 H54 Al N O5 Si2 |
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Calculated formula | C67 H54 Al N O5 Si2 |
SMILES | [Al]123(Oc4c(c5ccccc5cc4[Si](c4ccccc4)(c4ccccc4)c4ccccc4)c4[n]2c(c2c(O1)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)cc1c2cccc1)ccc4)[O]=C(C(O3)C)OC(C)C |
Title of publication | DiscreteO-Lactate and β-Alkoxybutyrate Aluminum Pyridine‒Bis(naphtholate) Complexes: Models for Mechanistic Investigations in the Ring-Opening Polymerization of Lactides and β-Lactones |
Authors of publication | Klitzke, Joice S.; Roisnel, Thierry; Kirillov, Evgeny; Casagrande, Osvaldo de L.; Carpentier, Jean-François |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 20 |
Pages of publication | 5693 |
a | 12.9683 ± 0.0008 Å |
b | 28.342 ± 0.0018 Å |
c | 18.6572 ± 0.0011 Å |
α | 90° |
β | 109.358 ± 0.004° |
γ | 90° |
Cell volume | 6469.7 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2685 |
Residual factor for significantly intense reflections | 0.1623 |
Weighted residual factors for significantly intense reflections | 0.422 |
Weighted residual factors for all reflections included in the refinement | 0.4568 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.