# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:35:40+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 Chemical Education') AND volume = 96 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
"1553246","26.9572","0.0008","9.9991","0.0003","19.3387","0.0005","90","","100.974","0.003","90","","5117.4","0.3","150","","150","","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 N2 O3.5 -","- C27 H37 N2 O3.5 -","- C216 H296 N16 O28 -","8","2","","Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W.","Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory","Journal of Chemical Education","2018","96","1","137","","10.1021/acs.jchemed.7b00982","","","1.5418","CuKα","","0.0869","0.0692","","0.2142","0.1871","0.2134","","","","","","0.9954","","","","has coordinates,has disorder","234004","2020-10-21","18:00:00",""
"1553247","9.9756","0.0003","9.9756","0.0003","9.8502","0.0003","90","","90","","120","","848.89","0.04","150","","150","","","","","","","","synthetic","5","P 32","P 32","145","","","","- C11 H12 Br N O2 -","- C11 H12 Br N O2 -","- C33 H36 Br3 N3 O6 -","3","1","","Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W.","Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory","Journal of Chemical Education","2018","96","1","137","","10.1021/acs.jchemed.7b00982","","","1.54184","CuKα","","0.0189","0.0188","","0.0493","0.0492","0.0493","","","","","","1.0009","","","","has coordinates","234004","2020-10-21","18:00:00",""
"1553248","9.8846","0.0004","9.7683","0.0003","15.0513","0.0006","90","","97.453","0.004","90","","1441.01","0.09","150","","150","","","","","","","","synthetic","4","I 1 a 1","I -2ya","9","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W.","Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory","Journal of Chemical Education","2018","96","1","137","","10.1021/acs.jchemed.7b00982","","","1.54184","CuKα","","0.026","0.0257","","0.0689","0.0684","0.0689","","","","","","1.0035","","","","has coordinates,has disorder","234004","2020-10-21","18:00:00",""