# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-11T00:24:13+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 'Beilstein Journal of Organic Chemistry') AND volume = 12 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
"4031866","9.38","0.004","9.756","0.004","10.518","0.005","94.969","0.006","90.378","0.006","103.743","0.006","931.1","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H19 Br N2 O6 -","- C17 H19 Br N2 O6 -","- C34 H38 Br2 N4 O12 -","2","2","","Zhang, Ming-Liang; Yue, Deng-Feng; Wang, Zhen-Hua; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic asymmetric Henry reaction of 1H-pyrrole-2,3-diones with bifunctional amine-thiourea catalysts bearing multiple hydrogen-bond donors.","Beilstein journal of organic chemistry","2016","12","","295","300","10.3762/bjoc.12.31","","","0.71073","MoKα","","0.1035","0.0742","","","0.187","0.2053","","","","","","1.004","","","","has coordinates","301828","2025-08-20","10:30:48",""
"4031973","8.6709","0.0009","12.9435","0.0016","17.587","0.002","90","","90","","90","","1973.8","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O3 -","- C25 H25 O3 -","- C100 H100 O12 -","4","1","","Cinar, M. Emin; Engelen, Bernward; Panthöfer, Martin; Deiseroth, Hans-Jörg; Schlirf, Jens; Schmittel, Michael","Scope and mechanism of the highly stereoselective metal-mediated domino aldol reactions of enolates with aldehydes.","Beilstein journal of organic chemistry","2016","12","","813","824","10.3762/bjoc.12.80","","","0.71069","MoKα","","0.0537","0.047","","","0.119","0.1243","","","","","","1.048","","","","has coordinates","185004","2020-10-21","18:00:00",""
"4031974","10.032","0.002","18.5","0.004","9.118","0.002","90","","109.47","0.03","90","","1595.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Cinar, M. Emin; Engelen, Bernward; Panthöfer, Martin; Deiseroth, Hans-Jörg; Schlirf, Jens; Schmittel, Michael","Scope and mechanism of the highly stereoselective metal-mediated domino aldol reactions of enolates with aldehydes.","Beilstein journal of organic chemistry","2016","12","","813","824","10.3762/bjoc.12.80","","","0.71069","MoKα","","0.0709","0.0456","","","0.1225","0.1341","","","","","","1.029","","","","has coordinates","301828","2025-08-20","10:30:49",""
"4031975","11.63996","0.00006","22.90211","0.00013","14.66629","0.00006","90","","92.3283","0.0004","90","","3906.51","0.03","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Cl8 N2 P Pd -","- C34 H39 Cl8 N2 P Pd -","- C136 H156 Cl32 N8 P4 Pd4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","1.54184","CuKα","","0.0364","0.0351","","","0.085","0.0859","","","","","","1.058","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031976","11.291","0.006","13.841","0.007","21.603","0.01","82.724","0.008","80.839","0.013","87.563","0.012","3305","3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C66.5 H72 B2 Cl4 F8 N4 P2 Pd2 -","- C66.5 H72 B2 Cl4 F8 N4 P2 Pd2 -","- C133 H144 B4 Cl8 F16 N8 P4 Pd4 -","2","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0683","0.0465","","","0.1082","0.1188","","","","","","1.024","","","","has coordinates,has disorder","301828","2025-08-20","10:30:49",""
"4031977","12.435","0.005","15.735","0.007","19.553","0.008","89.234","0.011","89.261","0.014","89.37","0.009","3825","3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C40 H47 B Cl2 F4 N2 P Rh -","- C40 H47 B Cl2 F4 N2 P Rh -","- C160 H188 B4 Cl8 F16 N8 P4 Rh4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0617","0.0399","","","0.0891","0.099","","","","","","1.021","","","","has coordinates,has disorder","301828","2025-08-20","10:30:52",""
"4031978","10.903","0.004","17.768","0.007","24.913","0.009","107.751","0.013","96.045","0.009","96.26","0.013","4520","3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C49 H62 B Cl F4 N2 P Rh -","- C49 H62 B Cl F4 N2 P Rh -","- C196 H248 B4 Cl4 F16 N8 P4 Rh4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0634","0.0427","","","0.103","0.1155","","","","","","1.029","","","","has coordinates,has disorder","301828","2025-08-20","10:30:57",""
"4031979","12.47669","0.00019","15.7562","0.0002","19.5579","0.0003","89.2424","0.0012","89.4178","0.0012","89.6008","0.0012","3844.17","0.1","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C40 H47 B Cl2 F4 Ir N2 P -","- C40 H47 B Cl2 F4 Ir N2 P -","- C160 H188 B4 Cl8 F16 Ir4 N8 P4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.062","0.0511","","","0.1092","0.1132","","","","","","1.196","","","","has coordinates,has disorder","301828","2025-08-20","10:31:08",""
"4031980","10.95376","0.00006","17.76136","0.00011","24.90835","0.00015","107.762","0.0005","95.9466","0.0005","96.1981","0.0005","4540.08","0.05","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C49 H62 B Cl F4 Ir N2 P -","- C49 H62 B Cl F4 Ir N2 P -","- C196 H248 B4 Cl4 F16 Ir4 N8 P4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0549","0.046","","","0.0716","0.0739","","","","","","1.225","","","","has coordinates,has disorder","301828","2025-08-20","10:31:19",""
"4031981","11.539","0.004","11.74","0.004","16.334","0.006","101.867","0.01","93.026","0.007","94.659","0.006","2152.8","1.3","100","2","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C42.5 H52 B Cl3 F4 I Ir N2 P -","- C42 H50 B Cl2 F4 I Ir N2 P -","- C84 H100 B2 Cl4 F8 I2 Ir2 N4 P2 -","2","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.02","0.0186","","","0.0463","0.047","","","","","","1.052","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031982","17.413","0.009","17.673","0.008","19.974","0.01","90","","90","","90","","6147","5","100","2","100","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H35 F3 N O3 P Pd S -","- C30 H35 F3 N O3 P Pd S -","- C240 H280 F24 N8 O24 P8 Pd8 S8 -","8","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0569","0.0393","","","0.0765","0.0929","","","","","","1.196","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031983","12.941","0.005","12.948","0.006","19.111","0.008","90","","106.643","0.01","90","","3068","2","100","2","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 B F4 N P Rh -","- C33 H40 B F4 N P Rh -","- C132 H160 B4 F16 N4 P4 Rh4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0288","0.0245","","","0.0596","0.0629","","","","","","1.047","","","","has coordinates","301828","2025-08-20","10:31:27",""
"4031984","13.001","0.006","18.967","0.008","13.378","0.005","90","","94.921","0.009","90","","3287","2","100","2","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 F3 Ir N O3 P S -","- C34 H40 F3 Ir N O3 P S -","- C136 H160 F12 Ir4 N4 O12 P4 S4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0223","0.0181","","","0.0397","0.0412","","","","","","1.047","","","","has coordinates","301828","2025-08-20","10:31:39",""
"4031985","17.335","0.007","9.113","0.004","25.21","0.011","90","","101.562","0.009","90","","3902","3","100","2","100","1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 Cl3 F3 I Ir N O3 P S -","- C37 H44 Cl3 F3 I Ir N O3 P S -","- C148 H176 Cl12 F12 I4 Ir4 N4 O12 P4 S4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0321","0.0252","","","0.059","0.062","","","","","","1.026","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031986","9.78588","0.00012","14.13707","0.00016","20.6977","0.0003","105.617","0.0011","96.468","0.0011","104.361","0.001","2621.66","0.06","120","1","120","1","","","","","","","","8","P 1","P 1","1","","","","- C37 H40 B Cl2 F4 N P Rh -","- C36.6667 H39.3333 B Cl1.33333 F4 N P Rh -","- C110 H118 B3 Cl4 F12 N3 P3 Rh3 -","3","3","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0542","0.0447","","","0.09","0.0959","","","","","","1.028","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031990","25.328","0.005","6.6951","0.0013","10.795","0.002","90","","90","","90","","1830.5","0.6","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H19 B F4 N4 O2 Pd -","- C14 H19 B F4 N4 O2 Pd -","- C56 H76 B4 F16 N16 O8 Pd4 -","4","0.5","","Nishikata, Takashi; Abela, Alexander R.; Huang, Shenlin; Lipshutz, Bruce H.","Cationic Pd(II)-catalyzed C-H activation/cross-coupling reactions at room temperature: synthetic and mechanistic studies.","Beilstein journal of organic chemistry","2016","12","","1040","1064","10.3762/bjoc.12.99","","","0.71073","MoKα","","0.0455","0.0392","","","0.0989","0.101","","","","","","1.345","","","","has coordinates","185005","2020-10-21","18:00:00",""
"4031991","5.8864","0.0003","9.254","0.0006","12.6617","0.0007","104.549","0.002","95.9357","0.0014","105.233","0.0015","633.46","0.06","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H41 N O4 S -","- C26 H41 N O4 S -","- C26 H41 N O4 S -","1","1","","Trost, Barry M.; Ryan, Michael C.; Rao, Meera","Chiral cyclopentadienylruthenium sulfoxide catalysts for asymmetric redox bicycloisomerization.","Beilstein journal of organic chemistry","2016","12","","1136","1152","10.3762/bjoc.12.110","","","1.54184","CuKα","","0.025","0.0249","","","0.0627","0.0628","","","","","","1.079","","","","has coordinates","186266","2020-10-21","18:00:00",""
"4032037","8.8223","0.0005","9.7894","0.0005","17.1881","0.0009","94.4785","0.0019","101.255","0.0019","116.252","0.0017","1282.73","0.12","120","","120","","","","","","","","","6","P -1","-P 1","2","","4-tert-butyl 2-ethyl 5-(4-bromo-3-iodophenyl)-1-ethyl-4-methylpyrrolidine-2,4-dicarboxylate","","- C24 H33 Br I N O5 -","- C24 H33 Br I N O5 -","- C48 H66 Br2 I2 N2 O10 -","2","1","","Mallia, Carl J.; Walter, Gary C.; Baxendale, Ian R.","Flow carbonylation of sterically hindered ortho-substituted iodoarenes.","Beilstein journal of organic chemistry","2016","12","","1503","1511","10.3762/bjoc.12.147","","x-ray","0.71073","MoKα","","0.0398","0.0274","","","0.0557","0.0591","","","","","","1.032","","","","has coordinates","301828","2025-08-20","10:32:29",""
"4032038","7.991","0.0006","19.372","0.0013","11.091","0.0009","90","","127.399","0.008","90","","1364","0.2","198","2","198","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","DM-449","","","- C12 H17 Cl N4 Pd -","- C12 H17 Cl N4 Pd -","- C48 H68 Cl4 N16 Pd4 -","4","1","","Meyer, Dirk; Strassner, Thomas","Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands.","Beilstein journal of organic chemistry","2016","12","","1557","1565","10.3762/bjoc.12.150","","","0.71073","MoKα","","0.0308","0.0203","","","0.0513","0.0542","","","","","","1.146","","","","has coordinates","186265","2020-10-21","18:00:00",""
"4032039","11.055","0.0008","8.05","0.0005","17.92","0.001","90","","102.069","0.006","90","","1559.5","0.18","198","2","198","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br Cl N4 Pd -","- C14 H12 Br Cl N4 Pd -","- C56 H48 Br4 Cl4 N16 Pd4 -","4","1","","Meyer, Dirk; Strassner, Thomas","Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands.","Beilstein journal of organic chemistry","2016","12","","1557","1565","10.3762/bjoc.12.150","","","0.71073","MoKα","","0.0574","0.0311","","","0.0605","0.0675","","","","","","1.098","","","","has coordinates","186265","2020-10-21","18:00:00",""
"4032040","9.29","0.0006","20.254","0.002","15.287","0.0006","90","","127.01","0.004","90","","2296.9","0.3","198","2","198","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 F3 N4 O2 Pd -","- C22 H25 F3 N4 O2 Pd -","- C88 H100 F12 N16 O8 Pd4 -","4","1","","Meyer, Dirk; Strassner, Thomas","Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands.","Beilstein journal of organic chemistry","2016","12","","1557","1565","10.3762/bjoc.12.150","","","0.71073","MoKα","","0.0344","0.0263","","","0.0769","0.0795","","","","","","1.508","","","","has coordinates","186265","2020-10-21","18:00:00",""
"4032041","11.3","0.001","14.4355","0.0013","26.239","0.002","90","","94.704","0.002","90","","4265.7","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H71 B P2 Pd -","- C48 H71 B P2 Pd -","- C192 H284 B4 P8 Pd4 -","4","1","","Steinhoff, Patrick; Tauchert, Michael E.","A T-shape diphosphinoborane palladium(0) complex.","Beilstein journal of organic chemistry","2016","12","","1573","1576","10.3762/bjoc.12.152","","","0.71073","MoKα","","0.0408","0.0323","","","0.0742","0.0784","","","","","","1.042","","","","has coordinates","301828","2025-08-20","10:32:29",""
"4032042","6.011","0.0004","9.5419","0.0006","31.23","0.003","90","","90","","90","","1791.2","0.2","200","2","200","2","","","","","","","","3","P 21 c n","P -2n 2a","33","","","","- C25 H17 N3 -","- C25 H17 N3 -","- C100 H68 N12 -","4","1","","Ion, Adrian E.; Cristian, Liliana; Voicescu, Mariana; Bangesh, Masroor; Madalan, Augustin M.; Bala, Daniela; Mihailciuc, Constantin; Nica, Simona","Synthesis and properties of fluorescent 4'-azulenyl-functionalized 2,2':6',2″-terpyridines.","Beilstein journal of organic chemistry","2016","12","","1812","1825","10.3762/bjoc.12.171","","","0.71073","MoKα","","0.0859","0.0441","","","0.1008","0.1398","","","","","","1.077","","","","has coordinates","301828","2025-08-20","10:32:29",""
"4032043","15.2019","0.0012","9.6219","0.0008","17.1451","0.0014","90","","101.007","0.001","90","","2461.7","0.3","185","2","185","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 N3 O3 -","- C28 H31 N3 O3 -","- C112 H124 N12 O12 -","4","2","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.1706","0.0943","","","0.0972","0.1135","","","","","","1.133","","","","has coordinates","301828","2025-08-20","10:32:29",""
"4032044","6.2818","0.0011","18.682","0.005","33.725","0.005","90","","90","","90","","3957.9","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Cl N O3 -","- C25 H18 Cl N O3 -","- C200 H144 Cl8 N8 O24 -","8","2","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.2976","0.153","","","0.2038","0.2666","","","","","","0.978","","","","has coordinates","301828","2025-08-20","10:32:29",""
"4032045","5.7034","0.0005","11.3752","0.0011","29.276","0.002","90","","90","","90","","1899.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 Br N O3 -","- C24 H16 Br N O3 -","- C96 H64 Br4 N4 O12 -","4","1","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.1305","0.0547","","","0.0886","0.1099","","","","","","0.811","","","","has coordinates","301828","2025-08-20","10:32:29",""
"4032046","8.483","0.002","33.621","0.009","14.525","0.004","90","","98.986","0.003","90","","4091.8","1.8","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C228 H192 O24 -","12","3","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.7107","MoKα","","0.0856","0.065","","","0.1405","0.1544","","","","","","1.092","","","","has coordinates","301828","2025-08-20","10:32:29",""
"4032047","8.108","0.0016","24.504","0.005","9.769","0.002","90","","90","","90","","1940.9","0.7","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H26 O2 -","- C27 H26 O2 -","- C108 H104 O8 -","4","1","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.71073","MoKα","","0.0528","0.0414","","","0.0883","0.0931","","","","","","0.991","","","","has coordinates","301828","2025-08-20","10:32:29",""
"4032048","14.63","0.007","11.834","0.006","10.513","0.005","90","","90","","90","","1820.1","1.5","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","0.5","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.71075","MoKα","","0.0499","0.0429","","","0.0959","0.1003","","","","","","1.097","","","","has coordinates","188921","2020-10-21","18:00:00",""
"4032049","7.524","0.003","8.498","0.003","12.116","0.005","88.457","0.013","79.09","0.001","79.868","0.012","748.8","0.5","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C42 H36 O4 -","2","1","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.7107","MoKα","","0.068","0.0429","","","0.0905","0.1026","","","","","","0.84","","","","has coordinates","301828","2025-08-20","10:32:29",""
"4032050","21.926","0.002","17.636","0.002","18.914","0.002","90","","93.67","0.003","90","","7298.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C97 H58 Cl2 F4 N6 Zn -","- C97 H58 Cl2 F4 N6 Zn -","- C388 H232 Cl8 F16 N24 Zn4 -","4","0.5","","Etheridge, Forrest S.; Fernando, Roshan J.; Pejić, Sandra; Zeller, Matthias; Sauvé, Geneviève","Synthesis and characterization of fluorinated azadipyrromethene complexes as acceptors for organic photovoltaics.","Beilstein journal of organic chemistry","2016","12","","1925","1938","10.3762/bjoc.12.182","","","1.54178","CuKα","","0.0487","0.0466","","","0.1215","0.1251","","","","","","1.131","","","","has coordinates,has disorder","301828","2025-08-20","10:32:29",""
"4032055","8.9878","0.001","14.6983","0.0018","10.8669","0.0013","90","","90.983","0.003","90","","1435.4","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H33 Cl N2 O5 -","- C31 H33 Cl N2 O5 -","- C62 H66 Cl2 N4 O10 -","2","1","","Torii, Masahiro; Kato, Kohsuke; Uraguchi, Daisuke; Ooi, Takashi","Chiral ammonium betaine-catalyzed asymmetric Mannich-type reaction of oxindoles.","Beilstein journal of organic chemistry","2016","12","","2099","2103","10.3762/bjoc.12.199","","","0.71075","MoKα","","0.0244","0.0241","","","0.0626","0.0628","","","","","","1.08","","","","has coordinates","301828","2025-08-20","10:32:29",""
"4032060","17.5326","0.0019","20.845","0.002","22.514","0.002","90","","90","","90","","8228.1","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H39 Br2 N7 O4 S2 -","- C38 H33 Br2 N7 O3 S -","- C304 H264 Br16 N56 O24 S8 -","8","1","","Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N.","An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy","Beilstein Journal of Organic Chemistry","2016","12","","2240","","10.3762/bjoc.12.216","","","0.71073","MoKα","","0.0941","0.0466","","","0.1086","0.129","","","","","","1.012","","","","has coordinates","187522","2020-10-21","18:00:00",""
"4032061","10.2603","0.0005","11.415","0.0006","36.6392","0.0019","90","","94.683","0.001","90","","4276.9","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H45 Br N10 O3 S -","- C45 H45 Br N10 O3 S -","- C180 H180 Br4 N40 O12 S4 -","4","1","","Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N.","An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy","Beilstein Journal of Organic Chemistry","2016","12","","2240","","10.3762/bjoc.12.216","","","0.71073","MoKα","","0.0641","0.0564","","","0.1232","0.1261","","","","","","1.161","","","","has coordinates","301828","2025-08-20","10:32:30",""
"4032062","15.7105","0.0006","13.4273","0.0005","15.0819","0.0005","90","","112.995","0.001","90","","2928.71","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N8 O5 S -","- C30 H32 N8 O5 S -","- C120 H128 N32 O20 S4 -","4","1","","Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N.","An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy","Beilstein Journal of Organic Chemistry","2016","12","","2240","","10.3762/bjoc.12.216","","","0.71073","MoKα","","0.0546","0.0394","","","0.0931","0.1022","","","","","","1.018","","","","has coordinates","301828","2025-08-20","10:32:30",""
"4032063","8.9292","0.0003","12.2608","0.0004","15.9631","0.0006","90","","101.183","0.003","90","","1714.44","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides","Beilstein Journal of Organic Chemistry","2016","12","","2390","","10.3762/bjoc.12.233","","","0.7107","MoKα","","0.0589","0.0453","","","0.1209","0.1333","","","","","","1.008","","","","has coordinates","301828","2025-08-20","10:32:30",""
"4032064","6.52","0.0009","10.4602","0.0005","17.7675","0.0008","90","","90","","90","","1211.75","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","","Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides","Beilstein Journal of Organic Chemistry","2016","12","","2390","","10.3762/bjoc.12.233","","","0.7107","MoKα","","0.0564","0.044","","","0.1098","0.1188","","","","","","1.003","","","","has coordinates","301828","2025-08-20","10:32:30",""
"4032065","8.9596","0.0004","12.5516","0.0003","15.7754","0.0004","90","","100.144","0.003","90","","1746.33","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C84 H64 N8 O16 -","4","1","","Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides","Beilstein Journal of Organic Chemistry","2016","12","","2390","","10.3762/bjoc.12.233","","","0.7107","MoKα","","0.0582","0.0438","","","0.1265","0.1379","","","","","","1.009","","","","has coordinates","301828","2025-08-20","10:32:30",""
"4032066","9.7218","0.0003","14.1376","0.0002","10.2523","0.0002","90","","115.65","0.003","90","","1270.25","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4,8,11-tetra(prop-2-yn-1-yl)-1,4,8,11-tetraazacyclotetradecane-1,8-diium perchlorate","","- C22 H34 Cl2 N4 O8 -","- C22 H34 Cl2 N4 O8 -","- C44 H68 Cl4 N8 O16 -","2","0.5","","Counsell, Andrew J.; Jones, Angus T.; Todd, Matthew H.; Rutledge, Peter J.","A direct method for the N-tetraalkylation of azamacrocycles","Beilstein Journal of Organic Chemistry","2016","12","","2457","","10.3762/bjoc.12.239","","","1.54178","CuKα","","0.041","0.0343","","","0.0869","0.0909","","","","","","1.058","","","","has coordinates","301828","2025-08-20","10:32:30",""
"4032067","14.325","0.002","12.234","0.002","29.447","0.005","90","","102.398","0.004","90","","5040.3","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18.5 H37 N7 O7.5 -","- C18.5 H37 N7 O7.5 -","- C148 H296 N56 O60 -","8","2","","Semakin, Artem N.; Kokuev, Aleksandr O.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu; Zhmurov, Petr A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Construction of bis-, tris- and tetrahydrazones by addition of azoalkenes to amines and ammonia","Beilstein Journal of Organic Chemistry","2016","12","","2471","","10.3762/bjoc.12.241","","","0.71073","MoKα","","0.2222","0.0897","","","0.2017","0.2715","","","","","","1.055","","","","has coordinates,has disorder","301828","2025-08-20","10:32:30",""
"4032068","16.7086","0.0005","21.6694","0.0008","8.223","0.0003","90","","90","","90","","2977.26","0.18","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H90 N2 O38 -","- C46 H42 N2 O38 -","- C92 H84 N4 O76 -","2","0.5","","Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira","Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent","Beilstein Journal of Organic Chemistry","2016","12","","2495","","10.3762/bjoc.12.244","","","0.71075","MoKα","","","0.0761","","","","0.23","","","","","","1.099","","","","has coordinates","188628","2020-10-21","18:00:00",""
"4032069","15.3495","0.0004","15.391","0.0005","17.9894","0.0006","113.338","0.0009","99.5367","0.0011","102.721","0.001","3651.5","0.2","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C53.25 H107.25 N2.25 O45.75 -","- C53.25 H68.75 N2.25 O45.75 -","- C106.5 H137.5 N4.5 O91.5 -","2","2","","Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira","Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent","Beilstein Journal of Organic Chemistry","2016","12","","2495","","10.3762/bjoc.12.244","","","0.71075","MoKα","","","0.098","","","","0.2779","","","","","","1.046","","","","has coordinates","302841","2025-10-09","10:02:21",""
"4032070","11.7917","0.0005","7.5448","0.0003","17.661","0.0008","90","","101.754","0.002","90","","1538.28","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","6-ethyl-2-(3-phenylsydnon-4-yl)indolizine","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Albota, Florin; Caira, Mino R.; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Sydnone C-4 heteroarylation with an indolizine ring via Chichibabin indolizine synthesis","Beilstein Journal of Organic Chemistry","2016","12","","2503","","10.3762/bjoc.12.245","","","0.71073","MoKα","","0.0685","0.0421","","","0.0995","0.112","","","","","","1.016","","","","has coordinates","188651","2020-10-21","18:00:00",""
"4032071","8.9685","0.0005","10.6487","0.0007","11.0785","0.0007","93.48","0.001","95.886","0.001","109.306","0.001","988.21","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","Ethyl 8-ethyl-5-methyl-3-[(3-phenylsydnon-4-yl)-oxomethyl]-indolizine-1-carboxylate","","- C23 H21 N3 O5 -","- C23 H21 N3 O5 -","- C46 H42 N6 O10 -","2","1","","Albota, Florin; Caira, Mino R.; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Sydnone C-4 heteroarylation with an indolizine ring via Chichibabin indolizine synthesis","Beilstein Journal of Organic Chemistry","2016","12","","2503","","10.3762/bjoc.12.245","","","0.71073","MoKα","","0.0499","0.039","","","0.0948","0.1014","","","","","","1.045","","","","has coordinates","188652","2020-10-21","18:00:00",""
"4032072","11.0577","0.0009","12.8224","0.001","11.7987","0.001","90","","110.529","0.003","90","","1566.7","0.2","303.4","","303.4","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","Jung, Youngeun; Singh, Dileep Kumar; Kim, Ikyon","Symmetry-based approach to oligostilbenoids: Rapid entry to viniferifuran, shoreaphenol, malibatol A, and diptoindonesin G","Beilstein Journal of Organic Chemistry","2016","12","","2689","","10.3762/bjoc.12.266","","","0.71073","MoKα","","0.1362","0.0651","","","0.1454","0.1766","","","","","","1.032","","","","has coordinates,has disorder","301828","2025-08-20","10:32:30",""
"4032074","5.6166","0.0002","13.392","0.0005","31.5475","0.0011","90","","90","","90","","2372.92","0.15","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O3 -","- C27 H34 N2 O3 -","- C108 H136 N8 O12 -","4","1","","Weber, Carina; Pusch, Stefan; Schollmeyer, Dieter; Münster-Müller, Sascha; Pütz, Michael; Opatz, Till","Characterization of the synthetic cannabinoid MDMB-CHMCZCA","Beilstein Journal of Organic Chemistry","2016","12","","2808","","10.3762/bjoc.12.279","","","1.54178","CuKα","","0.0923","0.0657","","","0.165","0.2109","","","","","","1.121","","","","has coordinates,has disorder","301828","2025-08-20","10:32:30",""
"4033352","10.5231","0.0009","12.4625","0.0011","9.6181","0.0008","90","","107.523","0.002","90","","1202.83","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Iodo-4,4,8-trimethyl-1,2,3,4-tetrahydroquinolin-2-one","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.057","0.0532","","","0.1382","0.1426","","","","","","1.04","","","","has coordinates","301828","2025-08-20","10:33:09",""
"4033353","18.006","0.0008","9.8997","0.0004","13.7872","0.0006","90","","107.361","0.002","90","","2345.66","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Iodo-4,4,8-trimethyl-1,2,3,4-tetrahydroquinoline","","- C12 H16 I N -","- C12 H16 I N -","- C96 H128 I8 N8 -","8","2","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0374","0.0279","","","0.059","0.0632","","","","","","1.082","","","","has coordinates","301828","2025-08-20","10:33:09",""
"4033354","8.358","0.0008","15.7426","0.0015","11.7029","0.0011","90","","93.446","0.002","90","","1537","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Iodo-4,4,8-trimethyl-2-(propan-2-yloxy)-3,4-dihydroquinoline","","- C15 H20 I N O -","- C15 H20 I N O -","- C60 H80 I4 N4 O4 -","4","1","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0664","0.0591","","","0.1448","0.1508","","","","","","1.05","","","","has coordinates","301828","2025-08-20","10:33:09",""
"4033355","12.0435","0.0006","11.5154","0.0006","28.6939","0.0014","90","","96.039","0.002","90","","3957.4","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-Dimethyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinoline","","- C20 H32 B N O2 -","- C20 H32 B N O2 -","- C160 H256 B8 N8 O16 -","8","2","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0919","0.06","","","0.1337","0.1484","","","","","","1.039","","","","has coordinates,has disorder","301828","2025-08-20","10:33:09",""
"4033356","12.2051","0.0005","11.3054","0.0005","28.6657","0.0012","90","","95.011","0.002","90","","3940.3","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-dimethyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydroquinoline","","- C20 H30 B N O2 -","- C20 H30 B N O2 -","- C160 H240 B8 N8 O16 -","8","2","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.089","0.0547","","","0.125","0.1412","","","","","","1.034","","","","has coordinates","301828","2025-08-20","10:33:09",""
"4033357","18.723","0.0004","8.16224","0.0001","17.8772","0.0004","90","","126.024","0.003","90","","2209.58","0.11","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Iodo-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-2-one","","- C11 H12 I N O -","- C11 H12 I N O -","- C88 H96 I8 N8 O8 -","8","1","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0233","0.019","","","0.047","0.0486","","","","","","1.088","","","","has coordinates","301828","2025-08-20","10:33:09",""