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Information card for entry 1557966
Preview
Coordinates | 1557966.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H80 Cl2 N2 O2 Sc2 Si2 |
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Calculated formula | C50 H80 Cl2 N2 O2 Sc2 Si2 |
SMILES | C1c2ccc(cc2[N](C)(C)[Sc]23451([c]1([c]2([c]3([c]4([c]51C)C)C)C)[Si](C)(C)C)([O]1CCCC1)Cl)c1ccc2c(c1)[N](C)(C)[Sc]1345(C2)([c]2([c]1([c]3([c]4([c]52C)C)C)C)[Si](C)(C)C)([O]1CCCC1)Cl |
Title of publication | Binuclear Scandium Initiators for the Syndiospecific Triblock Copolymerization of Styrene with ε-Caprolactone |
Authors of publication | Wang, Yang; Zhou, Chulu; Cheng, Jianhua |
Journal of publication | Macromolecules |
Year of publication | 2020 |
a | 11.2926 ± 0.0014 Å |
b | 14.8104 ± 0.0018 Å |
c | 16.26 ± 0.002 Å |
α | 79.75 ± 0.003° |
β | 89.746 ± 0.002° |
γ | 77.906 ± 0.003° |
Cell volume | 2615.1 ± 0.6 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1509 |
Residual factor for significantly intense reflections | 0.077 |
Weighted residual factors for significantly intense reflections | 0.1594 |
Weighted residual factors for all reflections included in the refinement | 0.1995 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
251331 (current) | 2020-04-30 | cif/ Adding structures of 1557965, 1557966 via cif-deposit CGI script. |
1557966.cif |
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Users of the data should acknowledge the original authors of the
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