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Information card for entry 4519227
Preview
| Coordinates | 4519227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H45 N S Sc Si2 |
|---|---|
| Calculated formula | C30 H45 N S Sc Si2 |
| Title of publication | Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism |
| Authors of publication | Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 953 - 962 |
| a | 10.3616 ± 0.0009 Å |
| b | 12.9879 ± 0.0011 Å |
| c | 13.5432 ± 0.0011 Å |
| α | 63.2 ± 0.001° |
| β | 87.783 ± 0.001° |
| γ | 86.752 ± 0.001° |
| Cell volume | 1624 ± 0.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271723 (current) | 2022-01-03 | cif/ Adding structures of 4519227 via cif-deposit CGI script. |
4519227.cif |
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Users of the data should acknowledge the original authors of the
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