# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-01T03:28:38+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 'New journal of chemistry = Nouveau journal de chimie') 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
"7052133","14.2033","0.0003","16.447","0.0004","20.4164","0.0005","90","","90","","90","","4769.31","0.19","100","2","100","2","","","","","","","synthesized","6","P b c a","-P 2ac 2ab","61","","","","- C46 H34 Cl6 I4 N2 O2 -","- C46 H34 Cl6 I4 N2 O2 -","- C184 H136 Cl24 I16 N8 O8 -","4","0.5","","Arunkumar, Easwaran; Sudeep, Pallikkara K.; Kamat, Prashant V.; Noll, Bruce C.; Smith, Bradley D.","Singlet oxygen generation using iodinated squaraine and squaraine-rotaxane dyes.","New journal of chemistry = Nouveau journal de chimie","2007","31","5","677","683","10.1039/b616224j","","x-ray","0.71073","MoKα","","0.0322","0.0213","","","0.0467","0.0512","","","","","","1.038","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7053466","9.419","0.002","12.174","0.003","13.334","0.003","90","","90","","90","","1529","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07029","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","","Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P.","A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides.","New journal of chemistry = Nouveau journal de chimie","2010","34","7","1309","1316","10.1039/c0nj00063a","","","0.71073","MoKα","","0.0332","0.03","","","0.0699","0.0718","","","","","","1.013","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053467","8.293","0.002","6.0494","0.001","12.923","0.003","90","","98.616","0.017","90","","641","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08170a","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C30 H30 N2 O6 -","2","1","","Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P.","A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides.","New journal of chemistry = Nouveau journal de chimie","2010","34","7","1309","1316","10.1039/c0nj00063a","","","0.71073","MoKα","","0.036","0.0307","","","0.0697","0.072","","","","","","1.059","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053468","11.821","0.003","5.9677","0.0017","29.515","0.008","90","","94.257","0.004","90","","2076.4","1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","09021a","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C96 H102 N6 O18 -","6","3","","Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P.","A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides.","New journal of chemistry = Nouveau journal de chimie","2010","34","7","1309","1316","10.1039/c0nj00063a","","","0.71073","MoKα","","0.0682","0.0432","","","0.094","0.1056","","","","","","1.052","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053469","10.959","0.002","6.0746","0.0012","12.943","0.003","90","","102.432","0.003","90","","841.4","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CMC0772a","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P.","A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides.","New journal of chemistry = Nouveau journal de chimie","2010","34","7","1309","1316","10.1039/c0nj00063a","","","0.41328","","","0.0587","0.0388","","","0.0834","0.0926","","","","","","1.052","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053470","10.2183","0.0009","10.4772","0.0009","12.5802","0.0011","90","","90","","90","","1346.8","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07221","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P.","A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides.","New journal of chemistry = Nouveau journal de chimie","2010","34","7","1309","1316","10.1039/c0nj00063a","","","0.71073","MoKα","","0.0323","0.0296","","","0.0772","0.0799","","","","","","1.005","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7054264","8.4302","0.0005","23.8152","0.0015","36.666","0.002","90","","90","","90","","7361.3","0.8","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H6 F6 N2 S -","- C11 H6 F6 N2 S -","- C264 H144 F144 N48 S24 -","24","6","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.0381","0.0358","","","0.087","0.0882","","","","","","1.082","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054265","7.4408","0.0008","20.454","0.002","7.1759","0.0008","90","","91.0376","0.0014","90","","1092","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cl3 N2 S -","- C9 H5 Cl3 N2 S -","- C36 H20 Cl12 N8 S4 -","4","1","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.0283","0.0276","","","0.0722","0.0728","","","","","","1.128","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054266","7.2383","0.0006","7.9459","0.0007","22.324","0.002","90","","93.075","0.001","90","","1282.11","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C48 H56 N8 O12 S4 -","4","1","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.0745","0.0426","","","0.0914","0.1042","","","","","","1.049","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054267","13.747","0.005","12.625","0.004","13.632","0.005","90","","106.496","0.005","90","","2268.5","1.4","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 N3 O3 S -","- C10 H9 N3 O3 S -","- C80 H72 N24 O24 S8 -","8","1","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.055","0.0449","","","0.1128","0.1182","","","","","","1.12","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054268","12.5507","0.0013","13.4265","0.0014","21.715","0.002","90","","98.92","0.002","90","","3615","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 F6 N2 O2 S -","- C15 H18 F6 N2 O2 S -","- C120 H144 F48 N16 O16 S8 -","8","2","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.0844","0.0509","","","0.1153","0.1331","","","","","","1.019","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054269","6.769","0.002","23.886","0.008","10.834","0.004","90","","90.947","0.005","90","","1751.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl3 N2 O2 S -","- C13 H17 Cl3 N2 O2 S -","- C52 H68 Cl12 N8 O8 S4 -","4","1","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.0991","0.0505","","","0.0986","0.1151","","","","","","1.015","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054270","10.344","0.003","12.952","0.004","13.814","0.004","95.357","0.004","95.836","0.004","92.996","0.004","1829.5","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N2 O5 S -","- C16 H26 N2 O5 S -","- C64 H104 N8 O20 S4 -","4","2","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.1013","0.0498","","","0.1144","0.1356","","","","","","1.027","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054271","13.241","0.004","15.16","0.004","8.398","0.002","90","","101.009","0.004","90","","1654.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N3 O5 S -","- C14 H21 N3 O5 S -","- C56 H84 N12 O20 S4 -","4","1","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.1648","0.0558","","","0.0641","0.0834","","","","","","1.003","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7055354","8.2966","0.0004","23.4782","0.0012","25.175","0.0011","90","","90","","90","","4903.8","0.4","100","0.5","100","0.5","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 B Cl2 F2 I2 N2 -","- C24 H23 B Cl2 F2 I2 N2 -","- C192 H184 B8 Cl16 F16 I16 N16 -","8","2","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0548","0.0527","","","0.1231","0.124","","","","","","1.221","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055355","11.0477","0.0015","14.069","0.002","17.029","0.003","90","","90","","90","","2646.8","0.7","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 B F2 N2 -","- C35 H31 B F2 N2 -","- C140 H124 B4 F8 N8 -","4","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.04","0.0327","","","0.0738","0.0771","","","","","","1.029","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055356","15.788","0.0006","12.5007","0.0006","15.9397","0.0007","90","","116.931","0.004","90","","2804.7","0.2","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 B F2 N4 O4 -","- C35 H29 B F2 N4 O4 -","- C140 H116 B4 F8 N16 O16 -","4","0.5","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0675","0.0468","","","0.1155","0.1278","","","","","","1.01","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055357","9.7694","0.0008","13.1321","0.001","13.2027","0.0008","93.757","0.005","104.793","0.004","102.323","0.004","1587","0.2","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C38 H31 B Cl2 F2 N4 -","- C38 H31 B Cl2 F2 N4 -","- C76 H62 B2 Cl4 F4 N8 -","2","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.1145","0.0576","","","0.1243","0.1484","","","","","","1.022","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055358","8.1559","0.0009","13.0389","0.0014","15.7981","0.0018","114.011","0.004","91.649","0.005","102.179","0.005","1487.7","0.3","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 B F8 N2 -","- C37 H29 B F8 N2 -","- C74 H58 B2 F16 N4 -","2","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0503","0.0411","","","0.1117","0.1187","","","","","","1.033","","","","has coordinates,has disorder","187158","2020-10-21","18:00:00",""
"7055359","9.5919","0.0002","34.432","0.0006","13.4607","0.0002","90","","107.899","0.001","90","","4230.47","0.13","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H45 B Cl2 F2 N2 O4 -","- C52 H45 B Cl2 F2 N2 O4 -","- C208 H180 B4 Cl8 F8 N8 O16 -","4","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0823","0.0544","","","0.1318","0.1468","","","","","","1.039","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055360","8.9607","0.0014","10.4013","0.0015","14.964","0.003","98.262","0.009","106.17","0.006","107.413","0.009","1238.3","0.4","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C35 H23 B F2 N2 -","- C35 H23 B F2 N2 -","- C70 H46 B2 F4 N4 -","2","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0686","0.0444","","","0.1017","0.1139","","","","","","1.029","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055361","12.2985","0.0006","12.9578","0.0006","18.4622","0.0009","90","","108.407","0.002","90","","2791.6","0.2","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 B F2 N4 O4 -","- C35 H21 B F2 N4 O4 -","- C140 H84 B4 F8 N16 O16 -","4","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0748","0.0532","","","0.1246","0.136","","","","","","1.011","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055362","13.2913","0.0016","16.431","0.002","13.4762","0.0016","90","","107.238","0.002","90","","2810.9","0.6","90","0.5","90","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H20.95 B Cl0.05 F2 N4 -","- C37 H20.952 B Cl0.048 F2 N4 -","- C148 H83.808 B4 Cl0.192 F8 N16 -","4","2","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0489","0.0401","","","0.095","0.0999","","","","","","1.035","","","","has coordinates,has disorder","187158","2020-10-21","18:00:00",""
"7060429","11.1106","0.0006","11.3667","0.0006","23.4788","0.0013","90","","90.116","0.004","90","","2965.2","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16.5 H23.5 N1.5 S0.5 -","- C16.5 H23.5 N1.5 S0.5 -","- C132 H188 N12 S4 -","8","4","","Alnufaie, Rawan; Ali, Mohamad Akbar; Alkhaibari, Ibrahim S.; Roy, Subrata; Day, Victor W.; Alam, Mohammad A.","Benign Synthesis of Fused-thiazoles with Enone-based Natural Products and Drugs for Lead Discovery.","New journal of chemistry = Nouveau journal de chimie","2021","45","13","6001","6017","10.1039/D1NJ00380A","","","1.54178","CuKα","","0.0694","0.0563","","","0.1313","0.1422","","","","","","1.057","","","","has coordinates","264924","2021-05-05","08:55:22",""