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Information card for entry 4306709
Preview
| Coordinates | 4306709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | N-(trifluoromethylsulfonatodimethylsilyl)-N-[bis-(2,4,6-trimethylphenyl)phenyl] amino-chloromethylarsane toluene solvate |
|---|---|
| Formula | C28 H34 As Cl F3 N O3 S Si |
| Calculated formula | C28 H34 As Cl F3 N O3 S Si |
| SMILES | [As](Cl)(N([Si](OS(=O)(=O)C(F)(F)F)(C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C |
| Title of publication | Lewis-Acid-Assisted Methyl Exchange Reactions In Silylated Aminodichloroarsanes |
| Authors of publication | Dirk Michalik; Axel Schulz; Alexander Villinger |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 11798 - 11806 |
| a | 8.51 ± 0.0017 Å |
| b | 12.946 ± 0.003 Å |
| c | 28.447 ± 0.006 Å |
| α | 90° |
| β | 95.7 ± 0.03° |
| γ | 90° |
| Cell volume | 3118.5 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0518 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 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. |
4306709.cif |
| 179105 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/67. |
4306709.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306709.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306709.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4306709.cif |
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