| Common name |
1^4^,5^4^-Dichloro-3(2,7),7(2,7)-dinaphthalena-2,4,6,8- tetraoxa-1(2,6),5(2,6)-di(1,3,5-triazina)octaphane Dichlorotetraoxacalix[2]naphthalene[2]triazine |
| Chemical name |
5,19-dichloro-2,8,16,22-tetraoxa-4,6,18,20,32,36- hexaazaheptacyclo[21.5.3.2^9,12^.1^3,7^.1^11,15^.1^17,21^.0^26,30^] hexatriaconta- 1(29),3,5,7(36),9,11,13,15(33),17(32),18,20,23(31),24,26(30),27,34-hexadecaene |
| Formula |
C26 H12 Cl2 N6 O4 |
| Calculated formula |
C26 H12 Cl2 N6 O4 |
| SMILES |
Clc1nc2Oc3cc4cc(Oc5nc(Oc6cc7cc(Oc(n2)n1)ccc7cc6)nc(Cl)n5)ccc4cc3 |
| Title of publication |
1^4^,5^4^-Dichloro-3(2,7),7(2,7)-dinaphthalena-2,4,6,8-tetraoxa-1(2,6),5(2,6)-di(1,3,5-triazina)octaphane |
| Authors of publication |
Sang, Qiu-Guang; Yang, Jing-Kui |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2011 |
| Journal volume |
67 |
| Journal issue |
9 |
| Pages of publication |
o2525 |
| a |
15.514 ± 0.003 Å |
| b |
7.967 ± 0.003 Å |
| c |
18.527 ± 0.005 Å |
| α |
90° |
| β |
90.6 ± 0.02° |
| γ |
90° |
| Cell volume |
2289.8 ± 1.1 Å3 |
| Cell temperature |
295 ± 2 K |
| Ambient diffraction temperature |
295 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0984 |
| Residual factor for significantly intense reflections |
0.0565 |
| Weighted residual factors for significantly intense reflections |
0.1053 |
| Weighted residual factors for all reflections included in the refinement |
0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
