Ontology highlight
ABSTRACT:
SUBMITTER: Miranda MD
PROVIDER: S-EPMC3589037 | biostudies-other | 2012 Dec
REPOSITORIES: biostudies-other
Acta crystallographica. Section E, Structure reports online 20121128 Pt 12
Mol-ecules of the title compound, C52H38N4O8, are located on an inversion center so that the asymmetric cell contains one half of the mol-ecule. The macrocycle exhibits a ruffled conformation with a maximum deviation of 0.16 Å for the 24 macrocycle atoms: the dihedral angle between adjacent five-membered rings is 5.13 (19)°. The benzene rings are rotated by 70.25 (19)° with respect to their adjacent protonated five-membered rings, and by 65.56 (19)° with respect to the unprotonated rings. The po ...[more]