Structure and conformation of photosynthetic pigments and related compounds. Part 6. The first crystal structure of a covalently-linked chlorin dimer: 20,20′-ethylenebis(trans-2,3,7,8,12,13,17,18-octaethylchlorin)
Structure and conformation of photosynthetic pigments and related compounds. Part 6. The first crystal structure of a covalently-linked chlorin dimer: 20,20′-ethylenebis(trans-2,3,7,8,12,13,17,18-octaethylchlorin)
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光合色素及相关化合物的结构和构象第6部分：共价连接的二氢卟吩二聚体的第一个晶体结构：20,20-亚乙基双(反式2,3,7,8,12,13,17,18-)八乙基二氯）
DOI：
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发表时间：
1993
期刊：
影响因子：
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通讯作者：
Kevin M Smith
中科院分区：
文献类型：
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作者：
M. Senge;H. Hope;Kevin M Smith
标题化合物1的晶体结构已被确定的X-射线衍射方法，以获得结构信息的共价连接的二氢卟酚二聚体作为仿生模型的光合反应中心。二聚体以两种不同的晶体形式结晶。这两种形式显示出不同的大环构象，这表明二氢卟酚大环的构象灵活性。这表明在反应中心模型的设计中，不仅要考虑整体结构的相似性，还要考虑构象参数。晶体数据：形式A：C74 H98 N8·CH 2Cl 2，单斜晶系，空间群C2/c，a= 32.610（9）A，B= 10.804（2）A，c= 21.185（5）A，β= 108.90（6）°，V= 7063（3）A3，Z = 4。R= 0.073（120 K）。晶形B：C74 H98 N8，单斜晶系，空间群C2/c，其中a= 24.068（14）A，B= 10.216（6）A，c= 26.44（3）A，β= 92.19（6）°，V= 6497（7）A3，Z= 4。R= 0.063（130 K）。
The crystal structure of the title compound 1 has been determined by X-ray diffraction methods to obtain structural information on covalently-linked chlorin dimers as biomimetic models for the photosynthetic reaction centre. The dimer crystallizes in two different crystal forms. Both forms show different macrocycle conformations which indicates the conformational flexibility of the chlorin macrocycle. This shows that not only the overall structural similarity but also conformational parameters have to be considered in the design of reaction centre models. Crystal data: Form A: C74H98N8·CH2Cl2, monoclinic, space group C2/cwith a= 32.610(9)A, b= 10.804(2)A, c= 21.185(5)A, β= 108.90(6)°, and V= 7063(3)A3, Z = 4. R= 0.073 (120 K). Form B: C74H98N8, monoclinic, space group C2/cwith a= 24.068(14)A, b= 10.216(6)A, c= 26.44(3)A, β= 92.19(6)°, V= 6497(7)A3, Z= 4. R= 0.063 (130 K).
DOI：
10.1073/pnas.84.16.5730
发表时间：
1987-08-01
影响因子：
11.1
作者：
ALLEN, JP;FEHER, G;REES, DC
通讯作者：
REES, DC