Crystal structure of a dehydroabietate derivative
作者:
Naresh Padha,
Vinod Singh,
E. Subramaniun,
K. K. Gupta,
S. C. Taneja,
K. N. Goswami,
期刊:
Crystal Research and Technology
(WILEY Available online 1995)
卷期:
Volume 30,
issue 1
页码: 81-86
ISSN:0232-1300
年代: 1995
DOI:10.1002/crat.2170300114
出版商: WILEY‐VCH Verlag
数据来源: WILEY
摘要:
AbstractThe crystal structure of methyl‐16, nor‐5‐hydroxy‐6,7,15‐trioxo dehydroabietate has been determined from three‐dimensional X‐ray diffraction data. The compound crystallizes in the orthorhombic space group P21212 with unit cell parametersa= 19.226(3) Å,b= 11.075(3) Å,c= 8.375(2) Å,Z= 4,V= 1783.3(7) Å3,d0= 1.36 gcm−3. The gross structure was determined by direct methods which on refinement yielded a final value ofRindex as 0.038. Ring A is a chair, ring B an envelope whereas the ring C adopts a strictly planar conformation. The rings A and B aretransfused. The ester group at C4 iscisfused to methyl carbon C15 whereas another methyl carbon C18 andoxoO(15) of the isopropyl group at C13 are rotated to positions 0.107(3) Å and 0.179(2) Å out o
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