# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-15T06:30:52+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 'Reaction chemistry & engineering') AND volume = 1 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
"1553239","14.9981","0.0003","14.2324","0.0003","14.6364","0.0003","90","","103.93","0.001","90","","3032.39","0.11","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Cl2 F6 N4 O4 -","- C29 H24 Cl2 F6 N4 O4 -","- C116 H96 Cl8 F24 N16 O16 -","4","0.5","","Poh, Jian-Siang; Browne, Duncan L.; Ley, Steven V.","A multistep continuous flow synthesis machine for the preparation of pyrazoles <i>via</i> a metal-free amine-redox process.","Reaction chemistry & engineering","2016","1","1","101","105","10.1039/c5re00082c","","","0.71073","MoKα","","0.0702","0.0481","","","0.1414","0.152","","","","","","1.087","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553240","12.275","0.0008","7.265","0.0005","12.6939","0.0008","90","","107.016","0.002","90","","1082.46","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F3 N3 -","- C11 H10 F3 N3 -","- C44 H40 F12 N12 -","4","1","","Poh, Jian-Siang; Browne, Duncan L.; Ley, Steven V.","A multistep continuous flow synthesis machine for the preparation of pyrazoles <i>via</i> a metal-free amine-redox process.","Reaction chemistry & engineering","2016","1","1","101","105","10.1039/c5re00082c","","","1.54178","CuKα","","0.0539","0.048","","","0.1201","0.1268","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:29",""