鲁索利替尼的晶体结构和x射线粉末衍射数据

IF 0.3 4区材料科学 Q4 MATERIALS SCIENCE, CHARACTERIZATION & TESTING

Powder Diffraction Pub Date : 2023-01-23 DOI:10.1017/S0885715622000604

Chung-Feng Dai, Yuanjiang Pan, Xiurong Hu

{"title":"鲁索利替尼的晶体结构和x射线粉末衍射数据","authors":"Chung-Feng Dai, Yuanjiang Pan, Xiurong Hu","doi":"10.1017/S0885715622000604","DOIUrl":null,"url":null,"abstract":"X-ray powder diffraction data, unit-cell parameters, and space group for ruxolitinib are reported [a = 8.7211(5) Å, b = 19.6157(15) Å, c = 18.9645(10) Å, β = 90.903(6)°, unit-cell volume V = 3243.85 Å3, Z = 8, and space group P21]. All measured lines were indexed and are consistent with the corresponding space group. No detectable impurities were observed. The single-crystal data of ruxolitinib are also reported [space group P21, a = 8.7110(2) Å, b = 19.5857(4) Å, c = 18.9372(4) Å, β = 90.8570(10)°, unit-cell volume V = 3230.53(10) Å3, Z = 8]. The experimental powder diffraction pattern has been well matched with the simulated pattern derived from the single-crystal data.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"38 1","pages":"69 - 73"},"PeriodicalIF":0.3000,"publicationDate":"2023-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal structure and X-ray powder diffraction data for ruxolitinib\",\"authors\":\"Chung-Feng Dai, Yuanjiang Pan, Xiurong Hu\",\"doi\":\"10.1017/S0885715622000604\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"X-ray powder diffraction data, unit-cell parameters, and space group for ruxolitinib are reported [a = 8.7211(5) Å, b = 19.6157(15) Å, c = 18.9645(10) Å, β = 90.903(6)°, unit-cell volume V = 3243.85 Å3, Z = 8, and space group P21]. All measured lines were indexed and are consistent with the corresponding space group. No detectable impurities were observed. The single-crystal data of ruxolitinib are also reported [space group P21, a = 8.7110(2) Å, b = 19.5857(4) Å, c = 18.9372(4) Å, β = 90.8570(10)°, unit-cell volume V = 3230.53(10) Å3, Z = 8]. The experimental powder diffraction pattern has been well matched with the simulated pattern derived from the single-crystal data.\",\"PeriodicalId\":20333,\"journal\":{\"name\":\"Powder Diffraction\",\"volume\":\"38 1\",\"pages\":\"69 - 73\"},\"PeriodicalIF\":0.3000,\"publicationDate\":\"2023-01-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Powder Diffraction\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1017/S0885715622000604\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"MATERIALS SCIENCE, CHARACTERIZATION & TESTING\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Powder Diffraction","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1017/S0885715622000604","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"MATERIALS SCIENCE, CHARACTERIZATION & TESTING","Score":null,"Total":0}

引用次数: 0

摘要

本文报道了ruxolitinib的x射线粉末衍射数据、单胞参数和空间群[a = 8.7211(5) Å， b = 19.6157(15) Å， c = 18.9645(10) Å， β = 90.903(6)°，单胞体积V = 3243.85 Å3, Z = 8，空间群P21]。所有测量线都被索引，并与相应的空间组一致。未观察到可检测的杂质。本文还报道了ruxolitinib的单晶数据[空间群P21, a = 8.7110(2) Å， b = 19.5857(4) Å， c = 18.9372(4) Å， β = 90.8570(10)°，单胞体积V = 320.53 (10) Å3, Z = 8]。实验所得的粉末衍射图与模拟所得的单晶衍射图吻合较好。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Crystal structure and X-ray powder diffraction data for ruxolitinib

X-ray powder diffraction data, unit-cell parameters, and space group for ruxolitinib are reported [a = 8.7211(5) Å, b = 19.6157(15) Å, c = 18.9645(10) Å, β = 90.903(6)°, unit-cell volume V = 3243.85 Å3, Z = 8, and space group P21]. All measured lines were indexed and are consistent with the corresponding space group. No detectable impurities were observed. The single-crystal data of ruxolitinib are also reported [space group P21, a = 8.7110(2) Å, b = 19.5857(4) Å, c = 18.9372(4) Å, β = 90.8570(10)°, unit-cell volume V = 3230.53(10) Å3, Z = 8]. The experimental powder diffraction pattern has been well matched with the simulated pattern derived from the single-crystal data.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

$Powder Diffraction$

Powder Diffraction 工程技术-材料科学：表征与测试

CiteScore

0.90

自引率

0.00%

发文量

审稿时长

>12 weeks

期刊介绍： Powder Diffraction is a quarterly journal publishing articles, both experimental and theoretical, on the use of powder diffraction and related techniques for the characterization of crystalline materials. It is published by Cambridge University Press (CUP) for the International Centre for Diffraction Data (ICDD).