| Common name |
2,9,16,23-Tetrakis(1-methylethyl)-5,6,11,12,13,14,19,20,25,26,27,28- dodecadehydrotetrabenzo[<i>a</i>,<i>e</i>,<i>k</i>,<i>o</i>]cycloeicosene |
| Chemical name |
7,16,25,34-tetrakis(propan-2-yl)pentacyclo[30.4.0.0^4,9^.0^14,19^.0^22,27^] hexatriaconta-1(32),4,6,8,14(19),15,17,22,24,26,33,35-dodecaen- 2,10,12,20,28,30-hexayne |
| Formula |
C48 H40 |
| Calculated formula |
C48 H40 |
| SMILES |
c12cc(ccc1C#Cc1ccc(cc1C#CC#Cc1cc(ccc1C#Cc1ccc(cc1C#CC#C2)C(C)C)C(C)C)C(C)C)C(C)C |
| Title of publication |
2,9,16,23-Tetrakis(1-methylethyl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydrotetrabenzo[<i>a</i>,<i>e</i>,<i>k</i>,<i>o</i>]cycloeicosene |
| Authors of publication |
Perera, Theshini; Fronczek, Frank R.; Watkins, Steven F. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2011 |
| Journal volume |
67 |
| Journal issue |
12 |
| Pages of publication |
o3493 |
| a |
18.0007 ± 0.0004 Å |
| b |
12.5083 ± 0.0003 Å |
| c |
16.0674 ± 0.0004 Å |
| α |
90° |
| β |
91.004 ± 0.001° |
| γ |
90° |
| Cell volume |
3617.15 ± 0.15 Å3 |
| Cell temperature |
90 ± 0.5 K |
| Ambient diffraction temperature |
90 ± 0.5 K |
| Cell measurement pressure |
101.3 kPa |
| Number of distinct elements |
2 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for significantly intense reflections |
0.0487 |
| Weighted residual factors for all reflections included in the refinement |
0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.02 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
