# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T09:11:11+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of agricultural and food chemistry') AND volume = 58 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1502653","11.008","0.002","12.502","0.003","13.118","0.003","74.75","0.03","71.81","0.03","65.93","0.03","1546.7","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.67 H21.33 N2.67 O3.33 S1.33 Sn1.33 -","- C18.6667 H21.3333 N2.66667 O3.33333 S1.33333 Sn1.33333 -","- C56 H64 N8 O10 S4 Sn4 -","3","1.5","","Wang, Zhi-Hong; Guo, Yan-Zhao; Zhang, Jun; Ma, Lin; Song, Hai-Bin; Fan, Zhi-Jin","Synthesis and biological activity of organotin 4-methyl-1,2,3-thiadiazole-5-carboxylates and benzo[1,2,3]thiadiazole-7-carboxylates.","Journal of agricultural and food chemistry","2010","58","5","2715","2719","10.1021/jf902168d","","","0.71073","MoKα","","0.0296","0.0252","","","0.0654","0.0667","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502654","14.4537","0.001","15.5982","0.0011","15.9569","0.0012","90","","106.962","0.002","90","","3441","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cl4 N8 O4 S2 -","- C30 H27 Cl4 N8 O4 S2.406 -","- C120 H108 Cl16 N32 O16 S9.624 -","4","1","","Shao, Xusheng; Xu, Zhiping; Zhao, Xianfeng; Xu, Xiaoyong; Tao, Liming; Li, Zhong; Qian, Xuhong","Synthesis, crystal structure, and insecticidal activities of highly congested hexahydroimidazo[1,2-a]pyridine derivatives: effect of conformation on activities.","Journal of agricultural and food chemistry","2010","58","5","2690","2695","10.1021/jf902513t","","","0.71073","MoKα","","0.1713","0.114","","","0.2933","0.3321","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502655","22.13","0.004","9.2835","0.0018","15.475","0.003","90","","92.678","0.004","90","","3175.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H16 Cl2 N4 O3 -","- C14.5 H16 Cl2 N4 O3 -","- C116 H128 Cl16 N32 O24 -","8","1","","Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong","Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities.","Journal of agricultural and food chemistry","2010","58","5","2696","2702","10.1021/jf902531y","","","0.71073","MoKα","","0.1271","0.0744","","","0.167","0.199","","","","","","0.977","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502656","8.1431","0.0008","17.6252","0.0018","10.9792","0.0011","90","","108.142","0.002","90","","1497.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N4 O3 -","- C15 H17 Cl N4 O3 -","- C60 H68 Cl4 N16 O12 -","4","1","","Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong","Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities.","Journal of agricultural and food chemistry","2010","58","5","2696","2702","10.1021/jf902531y","","","0.71073","MoKα","","0.0614","0.0482","","","0.1193","0.1264","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502657","11.325","0.002","5.1849","0.001","23.851","0.005","90","","99.56","0.03","90","","1381.1","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N6 O S2 -","- C13 H10 N6 O S2 -","- C52 H40 N24 O4 S8 -","4","1","","Fan, Zhijin; Yang, Zhikun; Zhang, Haike; Mi, Na; Wang, Huan; Cai, Fei; Zuo, Xiang; Zheng, Qingxiang; Song, Haibin","Synthesis, crystal structure, and biological activity of 4-methyl-1,2,3-thiadiazole-containing 1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles.","Journal of agricultural and food chemistry","2010","58","5","2630","2636","10.1021/jf9029628","","","0.71073","MoKα","","0.0396","0.0329","","","0.0866","0.0903","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""