Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240292
Preview
| Coordinates | 2240292.cif |
|---|---|
| Structure factors | 2240292.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>O</i>-Isopropyl [bis(trimethylsilyl)amino](<i>tert</i>-butylamino)phosphinothioate |
|---|---|
| Formula | C13 H35 N2 O P S Si2 |
| Calculated formula | C13 H35 N2 O P S Si2 |
| SMILES | S=P(OC(C)C)(N([Si](C)(C)C)[Si](C)(C)C)NC(C)(C)C |
| Title of publication | Crystal structure of <i>O</i>-isopropyl [bis(trimethylsilyl)amino](<i>tert</i>-butylamino)phosphinothioate |
| Authors of publication | Kovalenko, Oleksandr O.; Kinzhybalo, Vasyl; Brusylovets, Oleksii A.; Lis, Tadeusz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o37 - o38 |
| a | 9.942 ± 0.003 Å |
| b | 11.907 ± 0.003 Å |
| c | 17.726 ± 0.005 Å |
| α | 90° |
| β | 100.52 ± 0.03° |
| γ | 90° |
| Cell volume | 2063.1 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0552 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240292.cif 2240292.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240292.cif 2240292.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240292.cif 2240292.hkl |
| 128722 | 2014-12-14 | cif/ hkl/ Adding structures of 2240292 via cif-deposit CGI script. |
2240292.cif 2240292.hkl |
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.