# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T06:17:04+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 'Chemical sciences journal') AND volume = 4 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
"1514678","6.2501","0.0001","10.0275","0.0002","30.1617","0.0007","90","","90","","90","","1890.32","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl3 I N O -","- C18 H15 Cl3 I N O -","- C72 H60 Cl12 I4 N4 O4 -","4","1","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0241","0.0206","","","0.0371","0.0378","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514679","25.646","0.003","6.3769","0.0007","10.8278","0.0011","90","","112.766","0.001","90","","1632.8","0.3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H13 Cl3 I N O2 -","- C13 H13 Cl3 I N O2 -","- C52 H52 Cl12 I4 N4 O8 -","4","1","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0337","0.0285","","","0.06","0.0621","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514680","9.9921","0.0004","17.5041","0.0006","18.6434","0.0007","90","","90","","90","","3260.8","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl4 F I N O -","- C12 H11 Cl4 F I N O -","- C96 H88 Cl32 F8 I8 N8 O8 -","8","2","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","1.54178","CuKα","","0.0678","0.056","","","0.1359","0.1442","","","","","","1.063","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514681","11.2235","0.0016","11.7597","0.0017","20.531","0.003","90","","90","","90","","2709.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Cl3 N2 O -","- C13 H11 Cl3 N2 O -","- C104 H88 Cl24 N16 O8 -","8","2","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0386","0.0298","","","0.0578","0.0608","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:47",""