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成份为C_(24)H_(28)O_4的双(?)本内酯单晶,是从甘肃岷县当归根的石油醚萃取液中结晶而得,用NICOLET XRD R3型四园衍射议以θ/2θ扫描方式收集2710个独立的x射线衍射强度数据,结构分析结果表明,晶体空间群C_(2h)~5-P21/C,属单斜晶系,晶胞参数a=6.1152A,b=12.7359A,c=27.2697A,β=92.759°,z=4.全部结构解析计算工作采用NICOLET XRD CORP SHELXTL直接法程序,最后对所有的原子的坐标参数和热参数进行精修,获得1264个反射的偏离因子。双(?)本内酯分子是由两个(?)本内酯以四园环构型健合在一起,所有非氢原子的键长,键角均在该误差范围内接近理论值。
The bis (?) Ligustilide single crystal with the composition of 24 (H_ (28) O_4) crystallized from the petroleum ether extract of Angelica root of Minxian County, Gansu Province, and was crystallized by the NICOLET XRD R3-type four- / 2θ scan method to collect 2710 independent X-ray diffraction intensity data, the structural analysis results show that the crystal space group C_2h ~ 5-P21 / C, is a monoclinic system, cell parameters a = 6.1152A, b = 12.7359A, c = 27.2697A, β = 92.759 °, z = 4. All structural analysis calculations using the NICOLET XRD CORP SHELXTL direct method, and finally all the atomic coordinate parameters and thermal parameters were refined to obtain 1264 reflections The deviation factor. The two (?) - lactone molecules are linked together by four (4) - lactones in a four - ring configuration. The bond lengths and bond angles of all non - hydrogen atoms are close to the theoretical values within this error range.