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Information card for entry 1563536
Preview
Coordinates | 1563536.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H26 N2 O3 S2 |
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Calculated formula | C19 H26 N2 O3 S2 |
SMILES | c1ccsc1C(=O)N/N=C/c1c(c(cc(c1)C)C(C)(C)C)O.CS(C)=O |
Title of publication | Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol‒metal coordination: application in stereoselective ring-opening polymerization of lactide |
Authors of publication | Roymuhury, Sagnik K.; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam |
Journal of publication | Polymer Chemistry |
Year of publication | 2021 |
Journal volume | 12 |
Journal issue | 27 |
Pages of publication | 3953 - 3967 |
a | 9.871 ± 0.0003 Å |
b | 9.8841 ± 0.0003 Å |
c | 10.9592 ± 0.0003 Å |
α | 98.4485 ± 0.0011° |
β | 94.876 ± 0.0011° |
γ | 94.1161 ± 0.0012° |
Cell volume | 1049.96 ± 0.05 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0832 |
Residual factor for significantly intense reflections | 0.0743 |
Weighted residual factors for significantly intense reflections | 0.2076 |
Weighted residual factors for all reflections included in the refinement | 0.2207 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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