The crystal and molecular structure of albocycline.
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概要
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The detailed molecular geometry of albocycline (C<SUB>18</SUB>H<SUB>28</SUB>O<SUB>4</SUB>) has been examined by X-ray crystal analysis. The crystals are monoclinic, with four molecules in a unit cell with dimensions of <I>a</I>=16.177(2), <I>b</I>=9.562(1), <I>c</I>=11.742(2) Å, and β=90.43(1)°; the space group is P2<SUB>1</SUB>. 3062 unique intensity data were collected on a four-circle diffractometer with graphite-monochromated Mo <I>K</I>α radiation. The structure was elucidated by the Monte Carlo direct method, using the 30 reflections with the greatest |<I>E</I>| values as the starting set; the 174th random phase set led to the correct solution. The <I>R</I> value reached 0.057 by block-diagonal least-squares refinements. The two crystallographically-independent molecules are connected by two O–H···O hydrogen bonds, forming a hydrogen-bonded dimer. The conformations of the fourteen-membered macrolide rings in these two molecules are considerably different from each other; <I>e.g.</I>, great differences of 165, 153, and 108° are found for the torsion angles around the C(4)–C(5), C(6)–C(7), and C(7)–C(8) single bonds respectively.
- 公益社団法人 日本化学会の論文
著者
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Harada Ken-ichi
Faculty Of Pharmacy Meijo University
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Nakatsu Kazumi
Faculty Of Science Kwansei Gakuin University
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Kinoshita Kenji
Faculty Of Pharmaceutical Sciences Toho University
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Matsumoto Takeshi
Department Of Biology Faculty Of Science Kumamoto University
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Suzuki Makoto
Faculty Of Engineering Niigata University
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FURUSAKI Akio
Department of Chemistry, Faculty of Science, Hokkaido University
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Hayashi Mitsuo
Faculty of Science, Kwansei Gakuin University
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