# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-05T21:11:04+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 'ACS chemical biology') AND volume = 12 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
"4513989","6.8412","0.0004","9.1081","0.0006","15.4906","0.0009","94.527","0.002","101.197","0.002","110.28","0.002","876.87","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","16045a","","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C38 H38 Br2 O10 -","2","1","","Widen, John C.; Kempema, Aaron M.; Villalta, Peter W.; Harki, Daniel A.","Targeting NF-κB p65 with a Helenalin Inspired Bis-electrophile.","ACS chemical biology","2017","12","1","102","113","10.1021/acschembio.6b00751","","","1.54178","CuKα","","0.0284","0.0277","","","0.073","0.0736","","","","","","1.113","","","","has coordinates,has disorder","193396","2020-10-21","18:00:00",""
"4514088","9.5075","0.0004","10.8348","0.0005","16.6081","0.0007","106.325","0.0005","95.4554","0.0005","92.1864","0.0005","1630.65","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 Au F6 N3 P2 S -","- C33 H28 Au F6 N3 P2 S -","- C66 H56 Au2 F12 N6 P4 S2 -","2","1","","Pérez, Sergio A; de Haro, Concepción; Vicente, Consuelo; Donaire, Antonio; Zamora, Ana; Zajac, Juraj; Kostrhunova, Hana; Brabec, Viktor; Bautista, Delia; Ruiz, José","New Acridine Thiourea Gold(I) Anticancer Agents: Targeting the Nucleus and Inhibiting Vasculogenic Mimicry.","ACS chemical biology","2017","12","6","1524","1537","10.1021/acschembio.7b00090","","","0.71073","MoKα","","0.0252","0.0207","","","0.0453","0.0466","","","","","","1.046","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514277","12.974","0.003","41.124","0.008","16.447","0.003","90","","98.2","0.03","90","","8685","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H137 N11 O33 -","- C64 H111 N11 O33 -","- C256 H444 N44 O132 -","4","2","","Götze, Sebastian; Herbst-Irmer, Regine; Klapper, Martin; Görls, Helmar; Schneider, Kilian R. A.; Barnett, Robert; Burks, Thomas; Neu, Ursula; Stallforth, Pierre","Structure, Biosynthesis, and Biological Activity of the Cyclic Lipopeptide Anikasin.","ACS chemical biology","2017","12","10","2498","2502","10.1021/acschembio.7b00589","","","0.89429","","","0.1193","0.0921","","","0.2511","0.2766","","","","","","1.034","","","","has coordinates,has disorder","202573","2020-10-21","18:00:00",""