Advanced strategy for ab initio structure determination of pharmaceutical compounds by powder data

被引：0
|
作者：
Sakata, Makoto [1 ,2 ]
Nishibori, Eiji [2 ]
Aoyagi, Shinobu [2 ]
机构：
[1] SPring 8, Japan Synchrotron Radiat Res Inst, Sayou, Hyogo 6795198, Japan
[2] Nagoya Univ, Dept Appl Phys, Chikusa Ku, Nagoya, Aichi, Japan
来源：
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 2008年 / 64卷
关键词：
structure determination from powder diffraction; maximum entropy method; pharmaceutical compounds;
D O I：
10.1107/S010876730809332X
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
P02.11.27
引用
收藏
页码：C208 / C208
页数：1
相关论文
共 50 条
  • [1] Ab initio crystal structure determination of three pharmaceutical compounds from X-ray powder diffraction data
    Giovannini, J
    Perrin, MA
    Louër, D
    Leveiller, F
    EPDIC 7: EUROPEAN POWDER DIFFRACTION, PTS 1 AND 2, 2001, 378-3 : 582 - 587
  • [2] Ab initio crystal structure determination of β-sodium acetate from powder data
    Helmholdt, RB
    Sonneveld, EJ
    Schenk, H
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1998, 213 (11): : 596 - 598
  • [3] AB-INITIO STRUCTURE DETERMINATION FROM POWDER DATA USING DIRECT-METHODS
    SPENGLER, R
    ZIMMERMANN, H
    BURZLAFF, H
    JANSEN, J
    PESCHAR, R
    SCHENK, H
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1994, 50 : 578 - 582
  • [4] Ab initio structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method
    Nishibori, Eiji
    Ogura, Tadakatsu
    Aoyagi, Shinobu
    Sakata, Makoto
    JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2008, 41 : 292 - 301
  • [5] Ab initio structure determination of BiPb2VO6 from powder diffraction data
    Evans, IR
    Howard, JAK
    Withers, RL
    Evans, JSO
    CHEMICAL COMMUNICATIONS, 2001, (19) : 1984 - 1985
  • [6] Ab-initio structure determination of Pb-sulfonamide complexes from powder diffraction data
    Ohno, Masashi
    Nakajiina, Junichi
    Chikama, Katsumi
    Tatsuya, Seki
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 : C211 - C211
  • [7] Ab initio structure determination of a peptide β-turn from powder X-ray diffraction data
    Tedesco, E
    Harris, KDM
    Johnston, RL
    Turner, GW
    Raja, KMP
    Balaram, P
    CHEMICAL COMMUNICATIONS, 2001, (16) : 1460 - +
  • [8] TECHNIQUES FOR AB-INITIO STRUCTURE DETERMINATION FROM X-RAY-POWDER DIFFRACTION DATA
    RUDOLF, PR
    MATERIALS CHEMISTRY AND PHYSICS, 1993, 35 (3-4) : 267 - 272
  • [9] Ab-initio crystal structure determination from X-ray powder diffraction data
    Mukherjee, Alok K.
    Journal of the Indian Institute of Science, 2007, 87 (02) : 221 - 235
  • [10] Structure Solution of Pharmaceutical Compounds from Powder Diffraction Data
    Stephens, Peter W.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2005, 61 : C2 - C2
12345