C4HF10OP-1

Bis(pentafluoroethyl)hydroxyphosphane, (C₂F₅)₂POH

Structure

GED

Experimental r_e structure <bib id="ZakharovEJIC2013" /> of the first conformer:

<jmol>

<jmolApplet>
 <inlineContents>

1

OpenBabel06141312593D

17 16  0  0  0  0  0  0  0  0999 V2000
   0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   1.8884    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -0.0905    1.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   2.4830   -1.4071    0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
  -1.5245    2.3883   -0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
   2.2886    0.5184   -1.1716 F   0  0  0  0  0  0  0  0  0  0  0  0
   0.6278    2.4186   -1.0003 F   0  0  0  0  0  0  0  0  0  0  0  0
   2.4180    0.6973    1.0230 F   0  0  0  0  0  0  0  0  0  0  0  0
   0.3414    2.3820    1.1821 F   0  0  0  0  0  0  0  0  0  0  0  0
   2.0664   -2.1577   -0.9280 F   0  0  0  0  0  0  0  0  0  0  0  0
  -2.0456    1.9171   -1.3017 F   0  0  0  0  0  0  0  0  0  0  0  0
   2.1791   -1.9966    1.2293 F   0  0  0  0  0  0  0  0  0  0  0  0
  -2.2801    2.0252    0.8496 F   0  0  0  0  0  0  0  0  0  0  0  0
   3.8050   -1.3642    0.0872 F   0  0  0  0  0  0  0  0  0  0  0  0
  -1.5910    3.7088   -0.1774 F   0  0  0  0  0  0  0  0  0  0  0  0
  -0.4534   -0.3067    1.4838 O   0  0  0  0  0  0  0  0  0  0  0  0
  -0.0843    0.2805    2.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
 1 16  1  0  0  0  0
 2  1  1  0  0  0  0
 2  4  1  0  0  0  0
 2  8  1  0  0  0  0
 3  1  1  0  0  0  0
 3  9  1  0  0  0  0
 4 14  1  0  0  0  0
 4 12  1  0  0  0  0
 5 15  1  0  0  0  0
 5  3  1  0  0  0  0
 5 13  1  0  0  0  0
 6  2  1  0  0  0  0
 7  3  1  0  0  0  0
10  4  1  0  0  0  0
11  5  1  0  0  0  0
16 17  1  0  0  0  0
 </inlineContents>
</jmolApplet>

</jmol>

Experimental r_e structure <bib id="ZakharovEJIC2013" /> of the second conformer:

<jmol>

<jmolApplet>
 <inlineContents>

1

OpenBabel06141313013D

17 16  0  0  0  0  0  0  0  0999 V2000
   0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   1.8862    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -0.2314    1.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   2.4818   -1.4080    0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   0.1164    2.6833   -1.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   2.2881    0.5582   -1.1544 F   0  0  0  0  0  0  0  0  0  0  0  0
   0.4077    2.4494    1.0402 F   0  0  0  0  0  0  0  0  0  0  0  0
   2.4128    0.6616    1.0474 F   0  0  0  0  0  0  0  0  0  0  0  0
  -1.5610    2.0086    0.1820 F   0  0  0  0  0  0  0  0  0  0  0  0
   2.0918   -2.1110   -1.0221 F   0  0  0  0  0  0  0  0  0  0  0  0
   1.4218    2.7942   -1.4186 F   0  0  0  0  0  0  0  0  0  0  0  0
   2.1500   -2.0498    1.1426 F   0  0  0  0  0  0  0  0  0  0  0  0
  -0.4325    2.1274   -2.3257 F   0  0  0  0  0  0  0  0  0  0  0  0
   3.8032   -1.3639    0.0715 F   0  0  0  0  0  0  0  0  0  0  0  0
  -0.4227    3.8911   -1.2093 F   0  0  0  0  0  0  0  0  0  0  0  0
  -0.4359   -0.2637    1.4984 O   0  0  0  0  0  0  0  0  0  0  0  0
  -0.0372    0.3246    2.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
 1 16  1  0  0  0  0
 2  1  1  0  0  0  0
 2  4  1  0  0  0  0
 2  8  1  0  0  0  0
 3  1  1  0  0  0  0
 3  9  1  0  0  0  0
 3  7  1  0  0  0  0
 4 14  1  0  0  0  0
 4 12  1  0  0  0  0
 5 15  1  0  0  0  0
 5  3  1  0  0  0  0
 6  2  1  0  0  0  0
10  4  1  0  0  0  0
11  5  1  0  0  0  0
13  5  1  0  0  0  0
16 17  1  0  0  0  0
 </inlineContents>
</jmolApplet>

</jmol>