Information card for entry 4032618
| Formula |
C39 H30 Cl2 O2 |
| Calculated formula |
C39 H30 Cl2 O2 |
| SMILES |
Oc1c(c2c3c4c(c5c(cccc5)c3CCc2cc1)CCc1c4c(c(O)cc1)c1ccccc1)c1ccccc1.ClCCl |
| Title of publication |
Synthesis, Structures, and Photophysical Properties of Optically Stable 1,16-Diphenyl-3,14-diaryl-Substituted Tetrahydrobenzo[5]helicenediol Derivatives: Enantioselective Recognition toward Tryptophan Methyl Esters. |
| Authors of publication |
Fang, Lei; Li, Meng; Lin, Wei-Bin; Shen, Yun; Chen, Chuan-Feng |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2017 |
| Journal volume |
82 |
| Journal issue |
14 |
| Pages of publication |
7402 - 7409 |
| a |
10.233 ± 0.002 Å |
| b |
11.859 ± 0.002 Å |
| c |
12.572 ± 0.003 Å |
| α |
103.61 ± 0.03° |
| β |
95.99 ± 0.03° |
| γ |
96.67 ± 0.03° |
| Cell volume |
1459 ± 0.6 Å3 |
| Cell temperature |
173.15 K |
| Ambient diffraction temperature |
173.15 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1445 |
| Residual factor for significantly intense reflections |
0.1211 |
| Weighted residual factors for significantly intense reflections |
0.3053 |
| Weighted residual factors for all reflections included in the refinement |
0.3223 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.152 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/4032618.html
