贺存恒, 鲍光宏, 徐常富, 穆善田. 白木香酸晶体结构的研究J. 药学学报, 1982, 17(8): 597-602.
引用本文: 贺存恒, 鲍光宏, 徐常富, 穆善田. 白木香酸晶体结构的研究J. 药学学报, 1982, 17(8): 597-602.
HE Cun-heng, BAO Guang-hong, XU Chang-fu , MU Shan-tian, . STUDIES ON THE CRYSTAL STRUCTURE OF BAIMUXIANGIC ACIDJ. Acta Pharmaceutica Sinica, 1982, 17(8): 597-602.
Citation: HE Cun-heng, BAO Guang-hong, XU Chang-fu , MU Shan-tian, . STUDIES ON THE CRYSTAL STRUCTURE OF BAIMUXIANGIC ACIDJ. Acta Pharmaceutica Sinica, 1982, 17(8): 597-602.

白木香酸晶体结构的研究

STUDIES ON THE CRYSTAL STRUCTURE OF BAIMUXIANGIC ACID

  • 摘要: 白木香酸(C15H24O3)的晶体属单斜晶系,空间群C2,晶胞参数为:a=12.150(3),b=10.827(4),c=11.344(4),B=111.78(2)°,Z=4,理论密度Dc=1.208 gcm-3。在“RIGAKU”衍射仪上收集强度数据;用直接法(MULTAN 80)解结构;全矩阵最小二乘修正结构,对2052个衍射点,最终R=0.060;差值Fourier综合确定了氢原子位置。

     

    Abstract: The Baimuxiangic acid C15H24O3 crystal belongs to the monoclimic system, space group is C2, with a=12.150 (3), b=10.827 (4), c=11.344 (4), β=111.78(2)°,Z=4, calculated density Dc=1.208 gcm-3 The intensity data were collected on the RIGAKU diffractometer. The structure was determined by direct method (MULTAN 80), and has been refined by full-matrix least-squares method to a final R value of 0.060 for 2052 reflexions. The H-atom coordinate parameters were found from difference Fourier synthesis.

     

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