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Information card for entry 1558945
Preview
| Coordinates | 1558945.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H74 Cl2 N2 O2 Sc2 Si2 |
|---|---|
| Calculated formula | C54 H74 Cl2 N2 O2 Sc2 Si2 |
| SMILES | [c]123[c]([c]4([c]56c(c(c(c([c]716)C)C)C)C)C)(C)[Sc]12457(N(c2ccccc2)[Si]3(C)C)([O]2CCCC2)[Cl][Sc]23456([c]7([c]2([c]4([c]25c(c(c(c([c]672)C)C)C)C)C)C)[Si](N3c2ccccc2)(C)C)([O]2CCCC2)[Cl]1 |
| Title of publication | l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes |
| Authors of publication | Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 39 |
| Pages of publication | 6308 - 6318 |
| a | 23.7263 ± 0.0004 Å |
| b | 10.4153 ± 0.0002 Å |
| c | 21.6239 ± 0.0003 Å |
| α | 90° |
| β | 106.991 ± 0.002° |
| γ | 90° |
| Cell volume | 5110.38 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.01 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258992 (current) | 2020-11-06 | cif/ Updating files of 1558937, 1558938, 1558939, 1558940, 1558941, 1558942, 1558943, 1558944, 1558945, 1558946 Original log message: Adding full bibliography for 1558937--1558946.cif. |
1558945.cif |
| 255772 | 2020-09-01 | cif/ Adding structures of 1558937, 1558938, 1558939, 1558940, 1558941, 1558942, 1558943, 1558944, 1558945, 1558946 via cif-deposit CGI script. |
1558945.cif |
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Users of the data should acknowledge the original authors of the
structural data.