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Information card for entry 4102701
Preview
| Coordinates | 4102701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H41 F5 N2 Si |
|---|---|
| Calculated formula | C35 H41 F5 N2 Si |
| SMILES | [Si@H]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon |
| Authors of publication | Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 10164 - 10170 |
| a | 9.5252 ± 0.0019 Å |
| b | 17.166 ± 0.003 Å |
| c | 10.174 ± 0.002 Å |
| α | 90° |
| β | 93.36 ± 0.03° |
| γ | 90° |
| Cell volume | 1660.7 ± 0.6 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1062 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4102701.cif |
| 178773 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/27. |
4102701.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102701.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102701.cif |
| 25603 | 2011-09-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4102701 via cif-deposit CGI script. |
4102701.cif |
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Users of the data should acknowledge the original authors of the
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