# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T19:50:37+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 'ACS Sustainable Chemistry & Engineering') 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
"4517025","3.8541","0.0004","6.0625","0.0005","24.554","0.002","90","","94.163","0.004","90","","572.2","0.09","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C12 H14 O8 -","- C12 H14 O8 -","- C24 H28 O16 -","2","0.5","","Kumalaputri, Angela J.; Randolph, Caelan; Otten, Edwin; Heeres, Hero J.; Deuss, Peter J.","Lewis Acid Catalyzed Conversion of 5-Hydroxymethylfurfural to 1,2,4-Benzenetriol, an Overlooked Biobased Compound.","ACS sustainable chemistry & engineering","2018","6","3","3419","3425","10.1021/acssuschemeng.7b03648","","","0.71073","MoKα","","0.0712","0.0668","","","0.1704","0.1729","","","","","","1.039","","","","has coordinates","239701","2020-10-21","18:00:00",""
"4517026","5.6334","0.0005","17.0832","0.0016","20.6455","0.0019","90","","90","","90","","1986.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O S -","- C21 H24 N2 O S -","- C84 H96 N8 O4 S4 -","4","1","","Dahiya, Anjali; Ali, Wajid; Patel, Bhisma K.","Catalyst and Solvent Free Domino Ring Opening Cyclization: A Greener and Atom Economic Route to 2-Iminothiazolidines","ACS Sustainable Chemistry & Engineering","2018","6","3","4272","","10.1021/acssuschemeng.7b04723","","","0.71073","MoKα","","0.1041","0.0697","","","0.1275","0.1508","","","","","","0.821","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517027","16.0134","0.0007","9.3012","0.0003","16.3406","0.0008","90","","114.009","0.006","90","","2223.26","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O2 S2 -","- C24 H26 N2 O2 S2 -","- C96 H104 N8 O8 S8 -","4","1","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0702","0.046","","","0.1019","0.1147","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517028","10.1382","0.0006","11.3042","0.0006","13.3643","0.0013","101.411","0.006","93.392","0.006","97.289","0.005","1483.59","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl N2 O S -","- C14 H15 Cl N2 O S -","- C56 H60 Cl4 N8 O4 S4 -","4","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0984","0.0598","","","0.1414","0.1661","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517029","26.0519","0.0012","9.2061","0.0003","28.816","0.0015","90","","113.376","0.006","90","","6343.9","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H18 N2 O S2 -","- C15 H18 N2 O S2 -","- C240 H288 N32 O16 S32 -","16","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.1007","0.0649","","","0.1451","0.1622","","","","","","1.071","","","","has coordinates,has disorder","239705","2020-10-21","18:00:00",""
"4517030","6.184","0.005","9.994","0.005","16.72","0.005","77.369","0.005","85.008","0.005","80.707","0.005","993.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O3 S -","- C19 H26 N2 O3 S -","- C38 H52 N4 O6 S2 -","2","1","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0746","0.0526","","","0.128","0.1442","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517031","24.9132","0.0013","10.5411","0.0005","10.4984","0.0004","90","","101.545","0.005","90","","2701.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 O S -","- C13 H13 Cl N2 O S -","- C104 H104 Cl8 N16 O8 S8 -","8","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","","0.71073","MoKα","","0.1037","0.0854","","","0.2111","0.221","","","","","","1.084","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""