Abstract
In the crystal structure of the title compound, C43H46NO13·0.5H2O, the molecule assumes a U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The molecule contains eight alicyclic and heterocyclic rings. The cyclohexane rings adopt chair conformations, the other three six-membered carbocyclic rings form a bicyclo[2.2.2]octane system with a boat conformation for each six-membered ring, the six-membered heterocyclic ring has a chair conformation and both of the five-membered rings have envelope conformations. The solvent water molecule links with the organic molecule via classic O—H⋯O and weak C—H⋯O hydrogen bonding in the crystal structure.
Highlights
In the crystal structure of the title compound, C43H46NO130.5H2O, the molecule assumes a U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other
The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry
An approximate treatment of cell esds is used for estimating esds involving l.s. planes
Summary
Key indicators: single-crystal X-ray study; T = 292 K; mean (C–C) = 0.008 Å; disorder in solvent or counterion; R factor = 0.052; wR factor = 0.150; data-toparameter ratio = 7.7
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Acta Crystallographica Section E Structure Reports Online
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
