Information card for entry 2010508
| Common name |
9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene |
| Chemical name |
cis-9-Phenyl-1,2,3,4,4a,9,9a,10-octahydro-9,10[1',2']benzenoanthracene |
| Formula |
C26 H24 |
| Calculated formula |
C26 H24 |
| SMILES |
c1cccc2c1C1(c3ccccc3C2[C@H]2[C@@H]1CCCC2)c1ccccc1.c1cccc2c1C1(c3ccccc3C2[C@@H]2[C@H]1CCCC2)c1ccccc1 |
| Title of publication |
9-Phenyl-3,4,4a,9a-tetrahydrotriptycene and 9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene |
| Authors of publication |
Duan, Shaoming; Baker, Ronald J.; Masnovi, John |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
2000 |
| Journal volume |
56 |
| Journal issue |
1 |
| Pages of publication |
99 - 101 |
| a |
9.2213 ± 0.0006 Å |
| b |
9.8777 ± 0.001 Å |
| c |
10.739 ± 0.0008 Å |
| α |
90.738 ± 0.008° |
| β |
107.829 ± 0.006° |
| γ |
104.052 ± 0.007° |
| Cell volume |
899.28 ± 0.14 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
2 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.042 |
| Residual factor for significantly intense reflections |
0.041 |
| Weighted residual factors for all reflections |
0.044 |
| Weighted residual factors for all reflections included in the refinement |
0.044 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.94 |
| Diffraction radiation wavelength |
0.7093 Å |
| Diffraction radiation type |
MolybdenumKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2010508.html
