| Chemical name |
2,9,12,15,18,25,27,34,37,40,43,50-Dodecaoxa-56- azaheptacyclo[24.24.5.1^51,55^.0^3,8^.0^19,24^.0^28,33^.0^44,49^] hexapentaconta-3,5,7,19(24),20,22,28(33),29,31,44,46,48,51,53,55-pentadecaene |
| Formula |
C43 H45 N O12 |
| Calculated formula |
C43 H45 N O12 |
| SMILES |
n1c2cccc1C1Oc3ccccc3OCCOCCOCCOc3ccccc3OC2Oc2ccccc2OCCOCCOCCOc2ccccc2O1 |
| Title of publication |
2,9,12,15,18,25,27,34,37,40,43,50-Dodecaoxa-56-azaheptacyclo[24.24.5.1^51,55^.0^3,8^.0^19,24^.0^28,33^.0^44,49^]hexapentaconta-3,5,7,19(24),20,22,28(33),29,31,44,46,48,51,53,55-pentadecaene |
| Authors of publication |
Kim, Jun Hee; Yoon, Il; Sim, Wonbo; Lee, Jai Young |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2012 |
| Journal volume |
68 |
| Journal issue |
10 |
| Pages of publication |
o2913 |
| a |
8.5266 ± 0.0004 Å |
| b |
15.2732 ± 0.0007 Å |
| c |
15.5688 ± 0.0008 Å |
| α |
69.752 ± 0.002° |
| β |
88.372 ± 0.002° |
| γ |
80.402 ± 0.002° |
| Cell volume |
1874.64 ± 0.16 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 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 |
0.0415 |
| Residual factor for significantly intense reflections |
0.0371 |
| Weighted residual factors for significantly intense reflections |
0.0937 |
| Weighted residual factors for all reflections included in the refinement |
0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
