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Acta Crystallographica Section E: Crystallographic Communications
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Crystal structure and Hirshfeld surface analysis of pulcherrin J

Authors: J Bodunde Owolabi; J Bodunde Owolabi; Sammer Yousuf; K. Osahon Ogbeide; M. Iqbal Choudhary; Abiodun Falodun; Mujeeb-Ur-Rehman;

Crystal structure and Hirshfeld surface analysis of pulcherrin J

Abstract

The title compound, C29H36O4[systematic name (4aR,5R,6aS,7R,11aS,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-5-yl cinnamate], a natural diterpene known as pulcherrin J, was isolated from stem barks of medicinally importantCaesalpinia pulcherrima(L.). The crystal structure of pulcherrin J shows it to be composed of a central core of threetrans-fused cyclohexane rings and a near planar five-membered furan ring, along with an axially oriented cinnamate moiety and an hydroxy substituent attached at positions 4a and 5 of the steroid ring system, respectively. The absolute structure was established with the use of CuKα radiation. In the crystal, molecules are linked by O—H...O hydrogen bonds to generate [100]C(8) chains. Hirshfeld surface analysis indicates that the most significant contacts in packing are H...H (67.5%), followed by C...H (19.6%) and H...O (12.9%).

Keywords

crystal structure, Crystallography, QD901-999, Hirshfeld surface analysis, Caesalpinia pulcherrima (L.), diterpene, Pulcherrin J, Research Communications

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average
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gold