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Crystal Structure of ent‐7α, 18‐Diacetoxykaur‐16‐ene (Epicandicandioldiacetate)
Author(s) -
Hökelek T.,
Kiliç E.,
Öktemer A.
Publication year - 2001
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/1521-4079(200106)36:4/5<493::aid-crat493>3.0.co;2-i
Subject(s) - orthorhombic crystal system , ring (chemistry) , diterpene , crystal structure , ene reaction , crystallography , envelope (radar) , chemistry , stereochemistry , group (periodic table) , molecule , cyclohexane conformation , hydrogen bond , telecommunications , radar , organic chemistry , computer science
The title compound (C 24 H 36 O 4 ) crystallizes in the orthorhombic space group P2 1 2 1 2 1 with a=6.250(1) Å, b=13.676(1) Å, c=25.419(2) Å, V=2172.7(1) Å 3 , Z=4, D x =1.19 g.cm ‐3 . The structure was solved by direct methods and refined by full‐matrix least‐squares method (R=0.076). The title molecule is an ent ‐kaurene diterpene containing two acetoxy groups at positions C7 and C18, The ring junction A‐B is in trans , while B‐C is in cis . The rings A and B have chair conformations, while ring C has a twist conformation but the conformation of ring D is nearer to an envelope.