Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4102699
Preview
| Coordinates | 4102699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H23 Cl F8 N2 Si |
|---|---|
| Calculated formula | C22 H23 Cl F8 N2 Si |
| 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 | 9.785 ± 0.002 Å |
| b | 9.976 ± 0.002 Å |
| c | 13.842 ± 0.003 Å |
| α | 89.57 ± 0.03° |
| β | 82.58 ± 0.03° |
| γ | 89.18 ± 0.03° |
| Cell volume | 1339.7 ± 0.5 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1125 |
| Residual factor for significantly intense reflections | 0.0832 |
| Weighted residual factors for significantly intense reflections | 0.221 |
| Weighted residual factors for all reflections included in the refinement | 0.2396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4102699.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. |
4102699.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102699.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102699.cif |
| 25601 | 2011-09-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4102699 via cif-deposit CGI script. |
4102699.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.