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Information card for entry 7108704
Preview
Coordinates | 7108704.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H26 N2 O4 Ti |
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Calculated formula | C18 H26 N2 O4 Ti |
SMILES | c12[n](c(ccc1)C)[Ti]1(Oc3cccc([n]13)C)(O2)(OC(C)C)OC(C)C |
Title of publication | Titanium pyridonates and amidates: novel catalysts for the synthesis of random copolymers |
Authors of publication | Ruth L. Webster; Nazbanoo Noroozi; Savvas G. Hatzikiriakos; Jaclyn A. Thomson; Laurel L. Schafer |
Journal of publication | Chem.Commun. |
Year of publication | 2013 |
Journal volume | 49 |
Pages of publication | 57 |
a | 11.5499 ± 0.0006 Å |
b | 13.1813 ± 0.0006 Å |
c | 26.74 ± 0.001 Å |
α | 90° |
β | 102.394 ± 0.003° |
γ | 90° |
Cell volume | 3976.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0564 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0905 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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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The link is: https://www.crystallography.net/7108704.html
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