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本文报道牛晶1的晶体结构和分子结构。使用SYNTEX R_3四圆衍射仪收集到2218个独立的三维强度数据。晶体空间群为P2_1/c,晶胞参数为a=15.058(3)A,b=6.161(1)A,c=15.898(3)A,β=105.75(1)°,Z=4,分子式C_(16)H_(18)O_4。用直接法导出初始结构,用块矩阵最小二乘程序修正,最后的R值为0.0745。确定了分子的空间构型,并对分子的结构特点进行了讨论。
This article reports the crystal structure and molecular structure of Niu Jing 1. Using the SYNTEX R_3 four-circle diffractometer, 2218 independent 3D intensity data were collected. The crystal space group is P2_1 / c. The unit cell parameters are a = 15.058 (3) A, b = 6.161 (1) A, c = 15.898 (3) A, β = 105.75 (1) °, Z = (16) H_ (18) O_4. The direct structure is used to derive the initial structure and corrected with the least square procedure of the block matrix. The final R value is 0.0745. The spatial configuration of the molecule was confirmed and the structural characteristics of the molecule were discussed.