Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2230197
Preview
Coordinates | 2230197.cif |
---|---|
Structure factors | 2230197.hkl |
Original IUCr paper | HTML |
Chemical name | 2-{2-[1,3-di-<i>tert</i>-butyl-4-(tert-butylamino)-2-(tert-butylimino)- 1,3,2λ^5^,4-diazadiphosphetidin-2-yl]-1-(4-methoxyphenyl)prop-2-en-1-yl}- 5,5-dimethyl-1,3,2λ^5^-dioxaphosphinan-2-one |
---|---|
Formula | C31 H57 N4 O4 P3 |
Calculated formula | C31 H57 N4 O4 P3 |
SMILES | P1(N(P(NC(C)(C)C)N1C(C)(C)C)C(C)(C)C)(C(=C)C(P1(=O)OCC(CO1)(C)C)c1ccc(OC)cc1)=NC(C)(C)C |
Title of publication | The Phospha‒Michael addition product {(<i>t</i>-BuNH)P(μ-N-<i>t</i>-Bu)~2~P(=N-<i>t</i>-Bu)—C(=CH~2~)CH(<i>p</i>-CH~3~O—C~6~H~4~)-P(O)[(OCH~2~C(CH~3~)~2~CH~2~O)]} |
Authors of publication | Gangadhararao, G.; Venu, Srinivas |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | o1212 - o1213 |
a | 13.8603 ± 0.0009 Å |
b | 15.7746 ± 0.001 Å |
c | 16.2606 ± 0.0011 Å |
α | 88.004 ± 0.001° |
β | 84.949 ± 0.001° |
γ | 87.6 ± 0.001° |
Cell volume | 3536.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0628 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1195 |
Weighted residual factors for all reflections included in the refinement | 0.1277 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2230197.html
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.