The crystal structure of an orthorhombic form of adenosine-5'-monophosphate

The crystal structure of an orthorhombic form of adenosine-5'-monophosphate
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5-单磷酸腺苷的斜方晶型的晶体结构

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发表时间:
1976
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通讯作者:
A. Achari
A. Achari
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作者:
S. Neidle;W. Kühlbrandt;A. Achari

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腺苷-Y-磷酸一水合物在正交晶系空间群P212121中结晶, a=22“997(2),B=9.406(1),c=6.599(1)A,Z=4.结构用直接法求解, 对于在自动衍射仪上测量的1320个有效反射,将其细化到0.0639的最终Rw。 该分子的构象与以前报道的单斜晶系分子的构象有很大不同。 [Kraut &詹森,晶体学报(1963),16,79-88]。例如,糖的构象, 在这里是C(2 π ′-内,糖苷扭转角改变了几乎50 °。
Adenosine-Y-phosphate monohydrate was crystallized in the orthorhombic space group P212121, with a=22"997 (2), b=9.406 (1), c=6.599 (1)A,, Z=4. The structure was solved by direct methods and refined to a final Rw of 0.0639 for 1320 significant reflexions measured on an automatic diffractometer. The conformation of the molecule differs significantly from that previously reported for the monoclinic monohydrate [Kraut & Jensen, Acta Cryst. (1963), 16, 79-88]. The sugar conformation, for example, is here C(2)'-endo, and the glycosidic torsion angle has altered by almost 50 °.