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Information card for entry 4112581
Preview
| Coordinates | 4112581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | difluoro[2-(phenylazo)phenyl]-2-propenylsilane |
|---|---|
| Formula | C15 H14 F2 N2 Si |
| Calculated formula | C15 H14 F2 N2 Si |
| SMILES | [Si](F)(F)(CC=C)c1ccccc1N=Nc1ccccc1 |
| Title of publication | Reactivity Control of an Allylsilane Bearing a 2-(Phenylazo)phenyl Group by Photoswitching of the Coordination Number of Silicon |
| Authors of publication | Naokazu Kano; Masaki Yamamura; Takayuki Kawashima |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 6250 - 6251 |
| a | 7.192 ± 0.004 Å |
| b | 9.719 ± 0.005 Å |
| c | 10.504 ± 0.006 Å |
| α | 74.203 ± 0.018° |
| β | 87.53 ± 0.03° |
| γ | 75.58 ± 0.02° |
| Cell volume | 684 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4112581.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. |
4112581.cif |
| 178896 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/25. |
4112581.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112581.cif |
| 64973 | 2012-08-30 | cif/ Adding structures of 4112581 via cif-deposit CGI script. |
4112581.cif |
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Users of the data should acknowledge the original authors of the
structural data.