Poly[1,6-di(N-carbazolyl)-2,4-hexadiyne]
Poly[1,6-di(N-carbazolyl)-2,4-hexadiyne]
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聚[1,6-二(N-咔唑基)-2,4-己二炔]
DOI：
10.1107/s0567740878004495
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发表时间：
1978
期刊：
影响因子：
--
通讯作者：
K. Yee
中科院分区：
文献类型：
--
作者：
P. Apgar;K. Yee
（C_（30）H_（20）N_2）_n，单斜晶系，P_2J_c，a= 12.865（5），B= 4.907（4），c= 17.403（5）. h，fl= I08。3（4），Z= 2/n，Mr= n（408.5），Dobs= 1.30，Dealt= 1.301 g cm-3。在使用石墨单色化Cu K~ t辐射的双圆衍射仪上收集的强度数据通过全矩阵最小二乘法精修至R因子0-086。单晶结构分析表明，聚合物主链具有双-单-三-单的交替键合模式，是一个平面共轭体系。咔唑基是平面的，分别与聚合物骨架的B轴和平面成43.3 °和81 °角。在Hewlett-Packard-堪培拉控制的Weissenberg几何结构的Supper衍射仪上，使用石墨单色化的Cu K~ t（2= 1.54178，~）辐射和脉冲高度分析器收集强度数据。采用Hanson和Nordman（1975）的固定计数器移动晶体扫描技术（扫描范围9 ~ 12，扫描速率2 ~ 8 min ~（-1），sin 20 ma × 1.0）。测量了880个反射; 426个被认为是观察到的[即I> 0（Hanson，1969）]。每个扫描范围被分成十个相等的部分，并且在每个移动部分期间累积计数并存储在计算机中。在扫描范围为9至12的情况下，部分扫描中的几个表示峰的每一侧上的背景的读数。在hOl水平上每50次反射测量hOl水平上的四次标准反射的强度，并且在水平之间也测量。这些强度在数据收集过程中没有变化。通过Hanson（1969）的数据简化程序进行了积分强度和结构因子计数的简化评估。未进行吸收校正。通过应用木尔坦（Ger-main，Main & Woolfson，1971）确定咔唑基中原子的位置。X射线72系统（Stewart，Kruger，阿蒙，迪金森和霍尔，1972年）用于计算差傅立叶映射，以定位剩余的非氢原子，并通过全矩阵最小二乘法来细化结构。的
(C30H20N2) n, monoclinic, P2Jc, a= 12.865 (5), b= 4.907 (4), c= 17.403 (5). h, fl= I08. 3 (4), Z= 2/n, Mr= n (408.5), Dobs= 1.30, Dealt= 1.301 g cm-3. Intensity data collected on a two-circle diffractometer using graphite-monochromated Cu K~ t radiation were refined by full-matrix least squares to an R factor of 0-086. Single-crystal structure analyses show that the polymer backbone has the alternating double-single-triple-single bonding pattern and is a planar conjugated system. The carbazolyl groups are planar and make angles of 43.3 and 81 with the b axis and the plane of the polymer backbone, respectively.Introduction. Intensity data were collected on a Hewlett-Packard-Canberra controlled Supper diffractometer of Weissenberg geometry, using graphite-monochromated Cu K~ t (2= 1.54178,~) radiation and a pulse-height analyser. A fixed-counter moving-crystal tech-nique with variable step scans was used (Hanson & Nordman, 1975)(scan range= 9 to 12; rate= 2 to 8 min-~; sin 20ma×= 1.0). 880 reflections were measured; 426 were considered to be observed [ie I> 0 (Hanson, 1969)]. Each scan range was divided into ten equal parts, and counts were accumulated during each moving part and stored in the computer. With scan ranges of 9 to 12, several of the partial scans represent readings of the background on each side of the peak. The intensities of four standard reflections on the hOl level were measured every 50 reflections on the hOl level, and also between levels. These intensities did not change during the course of data collection. Evaluation of the integrated intensities and reduction to structure factor counts was done by a data-reduction program of Hanson (1969). No ab-sorption corrections were made. The locations of the atoms in the carbazolyl group were determined by application of MULTAN (Ger-main, Main & Woolfson, 1971). The XRAY 72 system (Stewart, Kruger, Ammon, Dickinson & Hall, 1972) was used to calculate difference Fourier maps to locate the remaining non-hydrogen atoms and to refine the structure by full-matrix least-squares methods. The