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Information card for entry 4102698
Preview
| Coordinates | 4102698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C35 H40 F6 N2 Si |
|---|---|
| Calculated formula | C35 H40 F6 N2 Si |
| SMILES | [Si]1(F)(N(c2c(cccc2C(C)C)C(C)C)C(C=C(N1c1c(cccc1C(C)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 | 20.81 ± 0.004 Å |
| b | 9.6243 ± 0.0019 Å |
| c | 33.923 ± 0.007 Å |
| α | 90° |
| β | 104.28 ± 0.03° |
| γ | 90° |
| Cell volume | 6584 ± 2 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0515 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
4102698.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4102698.cif |
| 178772 | 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 4/10/26. |
4102698.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102698.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102698.cif |
| 25600 | 2011-09-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4102698 via cif-deposit CGI script. |
4102698.cif |
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Users of the data should acknowledge the original authors of the
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