Di-p-bromophenyl ether, a redetermined crystal structure derived from low-quality diffraction data

Eriksson L; Eriksson J; Hu J

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Di-p-bromophenyl ether, a redetermined crystal structure derived from low-quality diffraction data

机译：二对溴苯基醚，由低质量衍射数据得出的重新确定的晶体结构

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We show that the lack of good quality data, normally essential to successful crystal structure analysis, can in part be compensated for by measuring data from several crystals and merging the resulting data sets. The crystal structure of the flame retardant di-p-bromophenyl ether, C12H8Br2O, a twofold axially symmetric molecule, has been redetermined and refined from such a merged multi-crystal diffraction data set to an acceptable conventional R factor (R-1 = 0.06), a result which could not have been obtained from any one of our single-crystal diffraction data sets used alone in the normal manner.

机译：我们表明，通常对于成功进行晶体结构分析必不可少的高质量数据的缺乏，可以通过测量来自多个晶体的数据并合并所得数据集来部分弥补。阻燃双对溴苯基醚C12H8Br2O的晶体结构，是一种轴向对称的两倍分子，已从这种合并的多晶衍射数据集中重新确定并改进为可接受的常规R因子（R-1 = 0.06），这是无法以正常方式单独使用我们的任何单晶衍射数据集获得的结果。

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《Acta Crystallographica, Section B. Structural Science》 |2004年第6期|共5页
作者
Eriksson L; Eriksson J; Hu J;
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正文语种 eng
中图分类晶体学;
关键词
2; 6-DIBROMOPHENYL ETHER; DECABROMODIPHENYL ETHER;

机译：2;6-二溴苯醚;十溴二苯醚;

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1. Di-p-bromophenyl ether, a redetermined crystal structure derived from low-quality diffraction data [J] . Eriksson L, Eriksson J, Hu J Acta Crystallographica, Section B. Structural Science . 2004,第6期

机译：二对溴苯基醚，由低质量衍射数据得出的重新确定的晶体结构
2. Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data [J] . Bykov M., Bykova E., Dyadkin V., Acta Crystallographica Section E: Crystallographic Communications . 2015,第11期

机译：根据单晶X射线衍射数据确定方石英型和堇青石型PON的晶体结构
3. Structure Analysis and Derivation of Deformed Electron Density Distribution of Polydiacetylene Giant Single Crystal by the Combination of X-ray and Neutron Diffraction Data [J] . Tashiro Kohji, Kusaka Katsuhiro, Hosoya Takaaki, Macromolecules . 2018,第11期

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4. On the Application of Co-operative Swarm Optimization in the Solution of Crystal Structures from X-Ray Diffraction Data [C] . Alexandr Zaloga, Sergey Burakov, Eugene Semenkin, International Conference on Swarm Intelligence;BRICS Congress on Computational Intelligence . 2015

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5. Crystal structures of various organic materials and a statistical analysis of single crystal X -ray diffraction data from potassium -doped barium plumbate. [D] . May, Jerome Gerard. 2000

机译：各种有机材料的晶体结构和掺钾铅酸钡钡的单晶X射线衍射数据的统计分析。
6. Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data [O] . Maxim Bykov, Elena Bykova, Vadim Dyadkin, 2015

机译：根据单晶X射线衍射数据重新确定方石英型和堇青石型PON的晶体结构
7. Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data [O] . Bykov Maxim, Bykova Elena, Dyadkin Vadim, 2015

机译：根据单晶X射线衍射数据重新确定方石英型和堇青石型PON的晶体结构
8. Synchrotron Small Angle X-ray Scattering Study of Crystalline Structures andIsothermal Crystallization Kinetics of Poly(Aryl Ether Ether Ketones) [R] . Wang, J., Alvarez, M., Zhang, W., 1992

机译：聚（芳基醚醚酮）结晶结构和等温结晶动力学的同步辐射小角X射线散射研究

Di-p-bromophenyl ether, a redetermined crystal structure derived from low-quality diffraction data

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