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Information card for entry 1558610
Preview
| Coordinates | 1558610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C91 H111 La N2 O4 P2 Si2 |
|---|---|
| Calculated formula | C77 H95 La N2 O4 P2 Si2 |
| Title of publication | The Role of Neutral Donor Ligands in the Isoselective Ring-Opening Polymerization of rac-β-Butyrolactone |
| Authors of publication | Dong, Xiang; Robinson, Jerome |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 15.355 ± 0.002 Å |
| b | 15.378 ± 0.002 Å |
| c | 35.734 ± 0.005 Å |
| α | 90° |
| β | 94.563 ± 0.005° |
| γ | 90° |
| Cell volume | 8411.1 ± 1.9 Å3 |
| Cell temperature | 173.21 K |
| Ambient diffraction temperature | 173.21 K |
| Number of distinct elements | 7 |
| 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 | 0.0659 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1315 |
| Weighted residual factors for all reflections included in the refinement | 0.1399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254368 (current) | 2020-07-17 | cif/ Adding structures of 1558609, 1558610, 1558611 via cif-deposit CGI script. |
1558610.cif |
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Users of the data should acknowledge the original authors of the
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