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Information card for entry 1568535
Preview
| Coordinates | 1568535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H140 B6 La2 N4 O8 Si8 |
|---|---|
| Calculated formula | C55 H140 B6 La2 N4 O8 Si8 |
| SMILES | [La]1234567([O]([La]89%10%11%12%13([O]1C(C([O]8B1OC(C([O]91)(C)C)(C)C)(C)C)(C)C)([H][B](N([Si](C)(C)C)[Si](C)(C)C)([H]%11)[H]%12)[H][B](N([Si](C)(C)C)[Si](C)(C)C)([H]%13)[H]%10)C(C([O]2B1OC(C([O]31)(C)C)(C)C)(C)C)(C)C)([H]B(N([Si](C)(C)C)[Si](C)(C)C)([H]4)[H]5)[H]B(N([Si](C)(C)C)[Si](C)(C)C)([H]6)[H]7.c1(ccccc1)C |
| Title of publication | Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation. |
| Authors of publication | Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J. |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 3247 - 3256 |
| a | 27.6404 ± 0.0007 Å |
| b | 15.2264 ± 0.0003 Å |
| c | 24.752 ± 0.0007 Å |
| α | 90° |
| β | 123.939 ± 0.004° |
| γ | 90° |
| Cell volume | 8642.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0673 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.1415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282300 (current) | 2023-04-04 | cif/ Updating files of 1568533, 1568534, 1568535 Original log message: Adding full bibliography for 1568533--1568535.cif. |
1568535.cif |
| 281134 | 2023-02-25 | cif/ Adding structures of 1568533, 1568534, 1568535 via cif-deposit CGI script. |
1568535.cif |
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Users of the data should acknowledge the original authors of the
structural data.