| Chemical name |
2,8,15,18,21,24,31,37,44,47,50,53-Dodecaoxaheptacyclo[52.4.0.0^4,35^.0^6,33^.0^9,14^.0^25,30^.0^38,43^]octapentaconta-1(54),4,6(33),9(14),10,12,25(30),26,28,34,38(43),39,41,55,57-pentadecaene dichloromethane disolvate |
| Formula |
C48 H54 Cl4 O12 |
| Calculated formula |
C48 H54 Cl4 O12 |
| SMILES |
C1OCCOCCOc2ccccc2OCc2c(COc3c(OC1)cccc3)cc1COc3ccccc3OCCOCCOCCOc3c(OCc1c2)cccc3.ClCCl.ClCCl |
| Title of publication |
2,8,15,18,21,24,31,37,44,47,50,53-Dodecaoxaheptacyclo[52.4.0.0^4,35^.0^6,33^.0^9,14^.0^25,30^.0^38,43^]octapentaconta-1(54),4,6(33),9(14),10,12,25(30),26,28,34,38(43),39,41,55,57-pentadecaene dichloromethane disolvate |
| Authors of publication |
Yun, Ji Ye; Ahn, Sung Wan; Kim, Dong Hwan; Sim, Wonbo; Lee, Jai Young |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2014 |
| Journal volume |
70 |
| Journal issue |
5 |
| Pages of publication |
o558 |
| a |
23.0916 ± 0.0011 Å |
| b |
23.952 ± 0.0011 Å |
| c |
8.6426 ± 0.0004 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
4780.1 ± 0.4 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
56 |
| Hermann-Mauguin space group symbol |
P c c n |
| Hall space group symbol |
-P 2ab 2ac |
| Residual factor for all reflections |
0.0949 |
| Residual factor for significantly intense reflections |
0.0506 |
| Weighted residual factors for significantly intense reflections |
0.111 |
| Weighted residual factors for all reflections included in the refinement |
0.1361 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.017 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
