# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-05T18:55:42+02:00
# 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 'Molecular bioSystems') AND volume = 6 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
"1515904","8.9629","0.001","9.0475","0.0011","10.4647","0.0012","111.391","0.002","90.22","0.002","91.569","0.002","789.76","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","3a in manuscript","4-(2-pyridinyl)-7-(4-methoxy)-2,1,3-benzothiazole","","- C20 H13 N3 O S -","- C20 H13 N3 O S -","- C40 H26 N6 O2 S2 -","2","1","","Neto, Brenno A. D.; Lapis, Alexandre A. M.; Mancilha, Fabiana S.; Batista, Jr, Eraldo L; Netz, Paulo A.; Rominger, Frank; Basso, Luiz A.; Santos, Diógenes S; Dupont, Jaïrton","On the selective detection of duplex deoxyribonucleic acids by 2,1,3-benzothiadiazole fluorophores.","Molecular bioSystems","2010","6","6","967","975","10.1039/b919155k","","","0.71073","MoKα","","0.0511","0.0418","","","0.1062","0.1121","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515905","7.491","0.0001","16.4275","0.0003","21.0326","0.0003","107.378","0.001","96.119","0.001","97.804","0.001","2417.4","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","3b in manuscript","4-(3-pyridinyl)-7-(4-methoxy)-2,1,3-benzothiazole","","- C20 H13 N3 O S -","- C20 H13 N3 O S -","- C120 H78 N18 O6 S6 -","6","3","","Neto, Brenno A. D.; Lapis, Alexandre A. M.; Mancilha, Fabiana S.; Batista, Jr, Eraldo L; Netz, Paulo A.; Rominger, Frank; Basso, Luiz A.; Santos, Diógenes S; Dupont, Jaïrton","On the selective detection of duplex deoxyribonucleic acids by 2,1,3-benzothiadiazole fluorophores.","Molecular bioSystems","2010","6","6","967","975","10.1039/b919155k","","","0.71073","MoKα","","0.0974","0.0506","","","0.1201","0.144","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:48",""