Title of article :
Absolute structure of (3aS,5S,7aS,7bS,9aR,10R,12aR,12bS)-7b-hy­dr­oxy-4,4,7a,9a,12a-penta­methyl-10-[(2′R)-6-methyl­heptan-2-yl]-2,8,9-trioxo­octa­deca­hydro­benzo[d]indeno­[4,5-b]azepin-5-yl acetate from 62-year-old crystals
Author/Authors :
Suescun, Leopoldo Cryssmat-Lab/DETEMA - Facultad de Química, Universidad de la República, Uruguay , Heinzen, Horacio Departamento de Química Orgánica - Facultad de Química - Universidad de la República, Uruguay
Pages :
15
From page :
1
To page :
15
Abstract :
The structure of the title compound, C32H51NO6, was determined from 62-year-old crystals at room temperature and refined with 100 K data in a monoclinic (C2) space group. This compound with a triterpenoid structure, now confirmed by this study, played an important role in the determination of the structure of lanosterol. The mol­ecules pack in linear O—H⋯O hydrogen-bonded chains along the short axis (b), while parallel chains display weak van der Waals inter­actions that explain the needle-shaped crystal morphology. The structure exhibits disorder of the flexible methyl­heptane chain at one end of the main mol­ecule with a small void around it. Crystals of the compounds were resistant to data collection for decades with the available cameras and Mo Kα radiation single-crystal diffractometer in our laboratory until a new instrument with Cu Kα radiation operating at 100 K allowed the structure to be solved and refined.
Keywords :
crystal structure , terpenoid , old crystals , disorder
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2019
Full Text URL :
Record number :
2625328
Link To Document :
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