# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:56:20+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 'Organic Chemistry Frontiers') AND volume = 3 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
"1553182","11.3454","0.0004","13.013","0.0005","12.3899","0.0004","90","","91.009","0.002","90","","1828.93","0.11","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O7 -","- C20 H19 N O7 -","- C80 H76 N4 O28 -","4","1","","Kulkarni, Anand M.; Srinivas, Kolluru; Deshpande, Mukund V.; Ramana, Chepuri V.","Cu-catalyzed sequential C‒N bond formations: expeditious synthesis of tetracyclic indoloindol-3-ones","Organic Chemistry Frontiers","2016","3","1","43","","10.1039/C5QO00248F","","","0.71073","MoKα","","0.0518","0.0435","","","0.113","0.1195","","","","","","1.053","","","","has coordinates","233672","2020-10-21","18:00:00",""
"1553195","7.6889","0.0002","15.5382","0.0005","16.4272","0.0006","90","","90","","90","","1962.58","0.11","99.8","0.5","99.8","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C96 H88 N16 O16 -","4","1","","Mao, Zhong-Yi; Geng, Hui; Zhang, Tian-Tian; Ruan, Yuan-Ping; Ye, Jian-Liang; Huang, Pei-Qiang","Stereodivergent and enantioselective total syntheses of isochaetominines A‒C and four pairs of isochaetominine C enantiomers: a six-step approach","Organic Chemistry Frontiers","2016","3","1","24","","10.1039/C5QO00298B","","x-ray","1.54184","CuKα","","0.0459","0.0413","","","0.0978","0.1021","","","","","","1.048","","","","has coordinates","233686","2020-10-21","18:00:00",""
"1553196","9.32","0.0006","10.5489","0.0006","12.1772","0.0007","95.818","0.005","90.49","0.005","111.805","0.006","1104.44","0.12","173","0.14","173","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 O6 -","- C24 H26 N4 O6 -","- C48 H52 N8 O12 -","2","1","","Mao, Zhong-Yi; Geng, Hui; Zhang, Tian-Tian; Ruan, Yuan-Ping; Ye, Jian-Liang; Huang, Pei-Qiang","Stereodivergent and enantioselective total syntheses of isochaetominines A‒C and four pairs of isochaetominine C enantiomers: a six-step approach","Organic Chemistry Frontiers","2016","3","1","24","","10.1039/C5QO00298B","","","1.54184","CuKα","","0.05","0.038","","","0.0869","0.0932","","","","","","0.96","","","","has coordinates","233686","2020-10-21","18:00:00",""
"1553197","8.8508","0.0008","10.0352","0.0008","10.7879","0.0009","116.066","0.0015","107.114","0.0016","90.5266","0.0017","811.83","0.12","100","2","99.65","","","","","","","","","5","P -1","-P 1","2","20","()-(1S,11S,13R,14R,Z)-14-Bromo-11,13-dimethoxy-15,15-dimethyl-2.5.12-trioxa-4-azatricyclo[9.2.1.13,13]pentadec-3-ene","","- C15 H24 Br N O5 -","- C15 H24 Br N O5 -","- C30 H48 Br2 N2 O10 -","2","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.0483","0.0365","","","0.0694","0.0722","","","","","","1","","","","has coordinates","233688","2020-10-21","18:00:00",""
"1553198","11.7775","0.0008","8.7429","0.0006","16.8595","0.0012","90","","105.852","0.0013","90","","1670","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","11","()-(1R,11R,12S)-1,12-Dihydroxy-2,2-dimethyl-5.14-dioxa-4-azabicyclo[9.2.1]tetradecan-3-one","","- C14 H23 Cl2 N O5 -","- C14 H23 Cl2 N O5 -","- C56 H92 Cl8 N4 O20 -","4","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.055","0.0401","","","0.1167","0.124","","","","","","1","","","","has coordinates","233688","2020-10-21","18:00:00",""
"1553199","11.3134","0.0005","9.429","0.0004","12.7345","0.0006","90","","110.991","0.0008","90","","1268.29","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","10","()-10,10-dimethylhexahydro-2H-pyrrolo[1,2-b][1,2]oxazecine-7,9,11(10H)-trione","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.0791","0.0672","","","0.2501","0.2774","","","","","","1","","","","has coordinates","233688","2020-10-21","18:00:00",""
"1553200","17.0197","0.0005","16.271","0.0005","10.1414","0.0003","90","","99.0774","0.0005","90","","2773.26","0.14","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","12","12-Acetyl-2,2-Dimethyl-5.14-dioxa-4-azabicyclo[9.2.1]tetradeca-1(13),11-dien-3-one","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C120 H168 N8 O32 -","8","2","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.047","0.0362","","","0.1193","0.1275","","","","","","1","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1553201","10.9816","0.0005","9.2222","0.0004","13.0751","0.0006","90","","107.689","0.0008","90","","1261.57","0.1","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9","()-(1S,11R,12S,14S)-11-Hydroxy-10,10-dimethyl-7,13,15-trioxa-8-azatetracyclo[9.3.1.01,8.012,14]pentadecan-9-one","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.0605","0.043","","","0.1239","0.1382","","","","","","1","","","","has coordinates","233688","2020-10-21","18:00:00",""
"1553202","13.083","0.003","9.848","0.002","18.876","0.004","90","","93.26","0.03","90","","2428.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","IrNC","IrNC","","- C25 H32 Cl Ir N2 -","- C25 H32 Cl Ir N2 -","- C100 H128 Cl4 Ir4 N8 -","4","1","","Tang, Guo-Dong; Pan, Cheng-Ling; Li, Xingwei","Iridium(iii)- and rhodium(iii)-catalyzed coupling of anilines with α-diazoesters via chelation-assisted C‒H activation","Organic Chemistry Frontiers","2016","3","1","87","","10.1039/C5QO00316D","","","0.71073","MoKα","","0.0331","0.0232","","","0.0533","0.0575","","","","","","1.016","","","","has coordinates","233690","2020-10-21","18:00:00",""
"1553203","15.5737","0.0005","12.7774","0.0004","11.4615","0.0003","90","","91.399","0.003","90","","2280.06","0.12","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TNY-TE-09","Benzoic acid 2-(cyclohexyl-phenyl-amino)-1-phenyl-ethyl ester","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C108 H116 N4 O8 -","4","1","","Roy, Tony; Bhojgude, Sachin Suresh; Kaicharla, Trinadh; Thangaraj, Manikandan; Garai, Bikash; Biju, Akkattu T.","Employing carboxylic acids in aryne multicomponent coupling triggered by aziridines/azetidines","Organic Chemistry Frontiers","2016","3","1","71","","10.1039/C5QO00328H","","","0.71073","MoKα","","0.118","0.0678","","","0.1884","0.2219","","","","","","1.095","","","","has coordinates","233691","2020-10-21","18:00:00",""
"1553204","9.8964","0.0016","7.7982","0.0013","13.421","0.002","90","","91.267","0.002","90","","1035.5","0.3","301","2","301","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-((1R*,2R*)-2-Hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanone","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Ling, Jesse; Lam, Sze Kui; Lo, Brian; Lam, Sarah; Wong, Wing-Tak; Sun, Jian; Chen, Guanhua; Chiu, Pauline","Epoxy and aziridinyl enolsilanes in diastereoselective inter- and intramolecular Friedel‒Crafts alkylations","Organic Chemistry Frontiers","2016","3","4","457","","10.1039/C5QO00333D","","","0.71073","MoKα","","0.0474","0.0401","","","0.1101","0.1162","","","","","","1.048","","","","has coordinates","233694","2020-10-21","18:00:00",""
"1553205","11.4861","0.0004","14.0594","0.0004","13.486","0.0004","90","","111.393","0.004","90","","2027.77","0.12","293","2","293","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C22 H20 Cl N O2 S -","- C22 H20 Cl N O2 S -","- C88 H80 Cl4 N4 O8 S4 -","4","1","","Prabagar, B.; Nayak, Sanatan; Mallick, Rajendra K.; Prasad, Rangu; Sahoo, Akhila K.","Triphenylphosphine promoted regio and stereoselective α-halogenation of ynamides","Organic Chemistry Frontiers","2016","3","1","110","","10.1039/C5QO00345H","","","1.54184","CuKα","","0.0533","0.053","","","0.1449","0.1455","","","","","","1.075","","","","has coordinates","276349","2022-06-28","16:34:21",""
"1553206","11.0065","0.0009","8.788","0.0007","14.4392","0.0012","90","","99.424","0.001","90","","1377.78","0.19","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","methyl (1S,3R,3aS,8bS)-1-(4-methoxyphenyl)-3-methyl-8b-nitro-4-tosyl-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole-3-carboxylate","","- C27 H28 Br N3 O7 S -","- C27 H28 Br N3 O7 S -","- C54 H56 Br2 N6 O14 S2 -","2","1","","Gerten, Anthony L.; Stanley, Levi M.","Enantioselective dearomative [3 + 2] cycloadditions of indoles with azomethine ylides derived from alanine imino esters","Organic Chemistry Frontiers","2016","3","3","339","","10.1039/C5QO00346F","","","0.71073","MoKα","","0.0334","0.0275","","","0.0633","0.0814","","","","","","1.026","","","","has coordinates","233697","2020-10-21","18:00:00",""
"1553207","6.2154","0.0003","20.2473","0.0013","22.9882","0.0017","90","","90","","90","","2893","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Cl O6 -","- C36 H29 Cl O6 -","- C144 H116 Cl4 O24 -","4","1","","Fu, Zhenqian; Wu, Xingxing; Chi, Yonggui Robin","Rapid access to bicyclic δ-lactones via carbene-catalyzed activation and cascade reaction of unsaturated carboxylic esters","Organic Chemistry Frontiers","2016","3","2","145","","10.1039/C5QO00348B","","","0.71073","MoKα","","0.0801","0.0507","","","0.1004","0.1167","","","","","","1.021","","","","has coordinates","233699","2020-10-21","18:00:00",""
"1553208","7.1121","0.0007","8.5933","0.001","18.426","0.002","94.339","0.01","100.719","0.01","105.418","0.01","1057.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C48 H50 N6 O4 -","2","1","","Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing","Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes","Organic Chemistry Frontiers","2016","3","2","184","","10.1039/C5QO00352K","","","0.71073","MoKα","","0.1438","0.0566","","","0.1192","0.1338","","","","","","0.85","","","","has coordinates","233701","2020-10-21","18:00:00",""
"1553209","15.8733","0.0011","11.8466","0.0006","12.3385","0.0008","90","","99.402","0.006","90","","2289","0.2","293.69","0.1","293.69","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-((4,4-dimethyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing","Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes","Organic Chemistry Frontiers","2016","3","2","184","","10.1039/C5QO00352K","","x-ray","0.71073","MoKα","","0.1327","0.0649","","","0.1287","0.1683","","","","","","1.038","","","","has coordinates","233701","2020-10-21","18:00:00",""
"1553210","9.1241","0.0002","10.2171","0.0002","11.3635","0.0008","78.194","0.006","82.379","0.006","72.418","0.005","985.63","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 Br2 N2 -","- C22 H24 Br2 N2 -","- C44 H48 Br4 N4 -","2","1","","Ma, Can-Liang; Li, Xiao-Hua; Yu, Xiao-Long; Zhu, Xiao-Long; Hu, Yong-Zhou; Dong, Xiao-Wu; Tan, Bin; Liu, Xin-Yuan","Gold-catalyzed tandem synthesis of bioactive spiro-dipyrroloquinolines and its application in the one-step synthesis of incargranine B aglycone and seneciobipyrrolidine (I)","Organic Chemistry Frontiers","2016","3","3","324","","10.1039/C5QO00354G","","","1.54178","CuKα","","0.0546","0.0466","","","0.1153","0.1361","","","","","","1.175","","","","has coordinates","233703","2020-10-21","18:00:00",""
"1553211","7.4987","0.0001","7.9073","0.0001","14.5997","0.001","77.721","0.006","79.566","0.006","69.529","0.005","787.06","0.06","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C40 H44 N4 -","2","1","","Ma, Can-Liang; Li, Xiao-Hua; Yu, Xiao-Long; Zhu, Xiao-Long; Hu, Yong-Zhou; Dong, Xiao-Wu; Tan, Bin; Liu, Xin-Yuan","Gold-catalyzed tandem synthesis of bioactive spiro-dipyrroloquinolines and its application in the one-step synthesis of incargranine B aglycone and seneciobipyrrolidine (I)","Organic Chemistry Frontiers","2016","3","3","324","","10.1039/C5QO00354G","","","1.54178","CuKα","","0.0657","0.056","","","0.1397","0.1652","","","","","","1.217","","","","has coordinates","233703","2020-10-21","18:00:00",""
"1553212","10.016","0.005","10.025","0.004","21.596","0.01","90","","90","","90","","2168.5","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N2 O4 -","- C22 H32 N2 O4 -","- C88 H128 N8 O16 -","4","1","","Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng","Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine","Organic Chemistry Frontiers","2016","3","1","62","","10.1039/C5QO00355E","","","0.71073","MoKα","","0.0399","0.0351","","","0.0918","0.0954","","","","","","1.03","","","","has coordinates","233705","2020-10-21","18:00:00",""
"1553213","10.351","0.003","11.942","0.003","26.963","0.006","90","","90","","90","","3332.9","1.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H25 Cl N2 O2 -","- C17 H25 Cl N2 O2 -","- C136 H200 Cl8 N16 O16 -","8","1","","Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng","Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine","Organic Chemistry Frontiers","2016","3","1","62","","10.1039/C5QO00355E","","","0.71073","MoKα","","0.0725","0.0543","","","0.1086","0.1165","","","","","","1.046","","","","has coordinates","233705","2020-10-21","18:00:00",""
"1553214","12.0005","0.0005","9.4272","0.0004","25.9285","0.0011","90","","101.178","0.001","90","","2877.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Cl6 I N2 -","- C23 H27 Cl6 I N2 -","- C92 H108 Cl24 I4 N8 -","4","1","","Desens, Willi; Kohrt, Christina; Spannenberg, Anke; Werner, Thomas","A novel zinc based binary catalytic system for CO2utilization under mild conditions","Organic Chemistry Frontiers","2016","3","2","156","","10.1039/C5QO00356C","","","0.71073","MoKα","","0.0319","0.0258","","","0.057","0.0603","","","","","","1.03","","","","has coordinates","233707","2020-10-21","18:00:00",""
"1553215","8.3061","0.0002","9.701","0.0002","20.7173","0.0006","90","","90","","90","","1669.35","0.07","294.39","0.1","294.39","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cl2 N O4 -","- C16 H17 Cl2 N O4 -","- C64 H68 Cl8 N4 O16 -","4","1","","Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo","Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis","Organic Chemistry Frontiers","2016","3","3","319","","10.1039/C5QO00373C","","x-ray","1.54184","CuKα","","0.051","0.0478","","","0.1284","0.1329","","","","","","1.022","","","","has coordinates","233709","2020-10-21","18:00:00",""
"1553216","8.3327","0.0007","9.5492","0.0009","11.4501","0.001","90","","108.133","0.009","90","","865.84","0.14","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 Br2 N O4 -","- C16 H17 Br2 N O4 -","- C32 H34 Br4 N2 O8 -","2","1","","Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo","Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis","Organic Chemistry Frontiers","2016","3","3","319","","10.1039/C5QO00373C","","x-ray","1.54184","CuKα","","0.0479","0.0459","","","0.1264","0.129","","","","","","1.082","","","","has coordinates","233709","2020-10-21","18:00:00",""
"1553217","7.1154","0.0003","11.1585","0.0005","11.1645","0.0005","107.811","0.003","95.51","0.003","91.238","0.003","838.83","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C40 H32 O10 -","2","1","","Zhang, Wen-Zhen; Yang, Ming-Wang; Yang, Xu-Tong; Shi, Ling-Long; Wang, Hui-Bo; Lu, Xiao-Bing","Double carboxylation of o-alkynyl acetophenone with carbon dioxide","Organic Chemistry Frontiers","2016","3","2","217","","10.1039/C5QO00374A","","","0.71073","MoKα","","0.0621","0.0495","","","0.121","0.1331","","","","","","1.058","","","","has coordinates","233711","2020-10-21","18:00:00",""
"1553218","8.6446","0.0011","10.8046","0.0015","24.326","0.003","90","","99.922","0.002","90","","2238.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N O2 S -","- C25 H27 N O2 S -","- C100 H108 N4 O8 S4 -","4","1","","Li, Jiawen; Qin, Guiping; Liu, Yang; Huang, Hanmin","Palladium-catalysed coupling reaction of aminals with N-sulfonyl hydrazones to give allylic sulfones","Organic Chemistry Frontiers","2016","3","2","259","","10.1039/C5QO00381D","","","0.71073","MoKα","","0.0589","0.0399","","","0.0707","0.0781","","","","","","1.02","","","","has coordinates","233713","2020-10-21","18:00:00",""
"1553219","7.5687","0.0005","30.831","0.002","8.0907","0.0006","90","","90.916","0.002","90","","1887.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O2 Si -","- C20 H28 O2 Si -","- C80 H112 O8 Si4 -","4","1","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.0725","0.0535","","","0.13","0.1403","","","","","","1.089","","","","has coordinates","233715","2020-10-21","18:00:00",""
"1553220","7.3733","0.0006","11.2959","0.0009","14.9182","0.001","109.524","0.003","92.663","0.003","101.436","0.003","1139.24","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 F3 O -","- C14 H11 F3 O -","- C56 H44 F12 O4 -","4","2","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.1258","0.0636","","","0.1493","0.1873","","","","","","1.021","","","","has coordinates,has disorder","233715","2020-10-21","18:00:00",""
"1553221","15.9874","0.0007","10.2887","0.0004","13.7969","0.0006","90","","108.28","0.001","90","","2154.92","0.16","173","2","173","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","2","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.0706","0.0506","","","0.1169","0.1317","","","","","","1.022","","","","has coordinates","233715","2020-10-21","18:00:00",""
"1553222","34.01","0.05","9.158","0.013","7.196","0.01","90","","90","","90","","2241","6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","no","3-fluoro-6,7,8,9-tetrahydrobenzo[a]azulen-10(5H)-one","","- C14 H13 F O -","- C14 H13 F O -","- C112 H104 F8 O8 -","8","1","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.094","0.047","","","0.1189","0.1405","","","","","","1.037","","","","has coordinates","233715","2020-10-21","18:00:00",""
"1553223","9.9764","0.0005","11.8382","0.0006","12.5698","0.0006","115.716","0.002","100.125","0.002","93.876","0.002","1299.22","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","7-(2-(diphenylphosphino)phenyl)-7H-benzo[c]carbazole","","- C34 H24 N P -","- C34 H24 N P -","- C68 H48 N2 P2 -","2","1","","Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee","A benzo[c]carbazolyl-based phosphine ligand for Pd-catalyzed tetra-ortho-substituted biaryl syntheses","Organic Chemistry Frontiers","2016","3","2","273","","10.1039/C5QO00400D","","","0.71073","MoKα","","0.0766","0.0595","","","0.1549","0.168","","","","","","1.002","","","","has coordinates","233717","2020-10-21","18:00:00",""
"1553224","10.342","0.002","12.672","0.003","13.549","0.003","90","","90","","90","","1775.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 F N O5 S -","- C19 H16 F N O5 S -","- C76 H64 F4 N4 O20 S4 -","4","1","","Yu, Jin-Sheng; Zhou, Jian","Organocatalytic enantioselective Mukaiyama‒Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines","Organic Chemistry Frontiers","2016","3","3","298","","10.1039/C5QO00407A","","","0.71073","MoKα","","0.0294","0.0273","","","0.072","0.0739","","","","","","1.029","","","","has coordinates","233719","2020-10-21","18:00:00",""
"1553225","7.1956","0.0003","9.6833","0.0003","23.2873","0.0008","90","","90","","90","","1622.59","0.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 N2 O4 S -","- C17 H14 F2 N2 O4 S -","- C68 H56 F8 N8 O16 S4 -","4","1","","Yu, Jin-Sheng; Zhou, Jian","Organocatalytic enantioselective Mukaiyama‒Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines","Organic Chemistry Frontiers","2016","3","3","298","","10.1039/C5QO00407A","","","0.71073","MoKα","","0.0337","0.0314","","","0.0781","0.0801","","","","","","1.052","","","","has coordinates","233719","2020-10-21","18:00:00",""
"1553226","8.9936","0.0003","20.9137","0.0005","10.6975","0.0004","90","","112.585","0.004","90","","1857.78","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 Cl2 N2 O -","- C23 H14 Cl2 N2 O -","- C92 H56 Cl8 N8 O4 -","4","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)‒N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","","1.54184","CuKα","","0.0479","0.0417","","","0.0991","0.1029","","","","","","1.031","","","","has coordinates","233720","2020-10-21","18:00:00",""
"1553227","6.3775","0.0005","12.1686","0.001","13.4121","0.0008","80.819","0.006","88.955","0.005","75.537","0.007","994.7","0.13","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Cl2 N2 O2 -","- C24 H14 Cl2 N2 O2 -","- C48 H28 Cl4 N4 O4 -","2","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)‒N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","","1.54184","CuKα","","0.0623","0.0475","","","0.1165","0.1292","","","","","","1.046","","","","has coordinates","233720","2020-10-21","18:00:00",""
"1553228","5.2005","0.0005","13.556","0.003","15.6215","0.0013","73.584","0.012","85.49","0.008","87.12","0.012","1052.7","0.3","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Cl2 N2 O2 -","- C24 H14 Cl2 N2 O2 -","- C48 H28 Cl4 N4 O4 -","2","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)‒N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","x-ray","1.54184","CuKα","","0.1141","0.0698","","","0.1908","0.2294","","","","","","1.026","","","","has coordinates","233720","2020-10-21","18:00:00",""
"1553229","8.0462","0.0005","9.2337","0.0006","26.6656","0.0013","90","","90","","90","","1981.2","0.2","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Cl N2 O2 -","- C24 H17 Cl N2 O2 -","- C96 H68 Cl4 N8 O8 -","4","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)‒N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","","1.54184","CuKα","","0.0529","0.0399","","","0.1013","0.1123","","","","","","1.041","","","","has coordinates","233720","2020-10-21","18:00:00",""
"1553230","13.6461","0.0019","10.723","0.0015","22.268","0.004","90","","90.915","0.002","90","","3258","0.9","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Wun1m","","- C20 H15 N3 O3 -","- C20 H15 N3 O3 -","- C160 H120 N24 O24 -","8","1","","Nack, W. A.; Wang, B.; Wu, X.; Jiao, R.; He, G.; Chen, G.","Palladium-catalyzed arylation of β-methylene C(sp3)‒H bonds at room temperature: desymmetrization of simple cycloalkyl carboxylic acids","Organic Chemistry Frontiers","2016","3","5","561","","10.1039/C5QO00421G","","","0.71073","MoKα","","0.159","0.153","","","0.3373","0.3402","","","","","","2.199","","","","has coordinates","233722","2020-10-21","18:00:00",""
"1553231","7.6839","0.0002","11.0556","0.0003","12.4153","0.0004","90","","106.486","0.004","90","","1011.32","0.05","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O5 -","- C23 H18 N2 O5 -","- C46 H36 N4 O10 -","2","1","","Jiao, Lihui; Zhao, Xiaowei; Liu, Huixin; Ye, Xinyi; Li, Yun; Jiang, Zhiyong","Organocatalytic asymmetric conjugate addition of diaryloxazolidin-2,4-diones to nitroolefins: an efficient approach to chiral α-aryl-α-hydroxy carboxylic acids","Organic Chemistry Frontiers","2016","3","4","470","","10.1039/C5QO00428D","","","1.54184","CuKα","","0.0443","0.0395","","","0.105","0.1091","","","","","","1.048","","","","has coordinates,has disorder","233724","2020-10-21","18:00:00",""
"1553232","13.83","0.0011","21.2702","0.0018","14.1309","0.0013","90","","119.452","0.003","90","","3619.6","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N O4 P S -","- C38 H34 N O4 P S -","- C152 H136 N4 O16 P4 S4 -","4","1","","Zhu, Yi-Long; Wang, De-Cai; Jiang, Bo; Hao, Wen-Juan; Wei, Ping; Wang, Ai-Fang; Qiu, Jiang-Kai; Tu, Shu-Jiang","Metal-free oxidative hydrophosphinylation of 1,7-enynes","Organic Chemistry Frontiers","2016","3","3","385","","10.1039/C5QO00430F","","","0.71073","MoKα","","0.2249","0.0994","","","0.2293","0.249","","","","","","1.052","","","","has coordinates","233725","2020-10-21","18:00:00",""
"1553233","20.218","0.004","9.2121","0.0019","15.306","0.003","90","","95.315","0.004","90","","2838.5","1","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Br N O3 S -","- C13 H14 Br N O3 S -","- C104 H112 Br8 N8 O24 S8 -","8","2","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0444","0.038","","","0.0774","0.081","","","","","","1.106","","","","has coordinates","233727","2020-10-21","18:00:00",""
"1553234","7.8592","0.0017","9.0905","0.0018","9.748","0.002","79.19","0.007","89.1","0.008","77.31","0.006","667.1","0.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Br N O3 S -","- C13 H14 Br N O3 S -","- C26 H28 Br2 N2 O6 S2 -","2","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0271","0.0258","","","0.0625","0.0632","","","","","","1.088","","","","has coordinates","233727","2020-10-21","18:00:00",""
"1553235","11.83","0.002","9.2659","0.0019","14.59","0.003","90","","97.6","0.03","90","","1585.2","0.5","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br N O3 S -","- C16 H14 Br N O3 S -","- C64 H56 Br4 N4 O12 S4 -","4","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0436","0.0387","","","0.0787","0.0807","","","","","","1.155","","","","has coordinates","233727","2020-10-21","18:00:00",""
"1553236","8.3045","0.0015","9.415","0.002","11.19","0.002","87.089","0.01","73.797","0.009","70.74","0.07","792.3","0.4","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Br N O3 S -","- C16 H14 Br N O3 S -","- C32 H28 Br2 N2 O6 S2 -","2","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0361","0.0333","","","0.0834","0.085","","","","","","1.152","","","","has coordinates,has disorder","233727","2020-10-21","18:00:00",""
"1553237","15.825","0.004","8.982","0.003","11.426","0.006","90","","109.905","0.004","90","","1527.1","1","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br N O3 S -","- C16 H14 Br N O3 S -","- C64 H56 Br4 N4 O12 S4 -","4","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0748","0.0663","","","0.1402","0.1474","","","","","","1.126","","","","has coordinates","233727","2020-10-21","18:00:00",""
"1553238","8.1343","0.0014","27.626","0.005","8.8172","0.0015","90","","97.223","0.003","90","","1965.7","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","2","","Mu, Yucheng; Tan, Xiaodong; Zhang, Yemin; Jing, Xiaobi; Shi, Zhuangzhi","Pd(ii)-catalyzed β-C‒H arylation of O-methyl ketoximes with iodoarenes","Organic Chemistry Frontiers","2016","3","3","380","","10.1039/C5QO00438A","","","0.71073","MoKα","","0.0695","0.0488","","","0.1228","0.1403","","","","","","1.031","","","","has coordinates","233729","2020-10-21","18:00:00",""
"1553418","5.9396","0.0012","11.302","0.002","13.413","0.003","96.05","0.03","99.59","0.03","101.21","0.03","862","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Br F N O -","- C21 H15 Br F N O -","- C42 H30 Br2 F2 N2 O2 -","2","1","","Sheng, Jinyu; Su, Xiang; Cao, Chengyao; Chen, Chao","Synthesis of benzo[1,3]oxazines via copper(i)-catalyzed cascade annulation of nitriles, aldehydes and diaryliodonium salts","Organic Chemistry Frontiers","2016","3","4","501","","10.1039/C6QO00012F","","","0.71073","MoKα","","0.0534","0.0469","","","0.1183","0.1315","","","","","","1.035","","","","has coordinates","234973","2020-10-21","18:00:00",""
"1553419","9.1158","0.0003","9.8126","0.0003","28.3116","0.0009","90","","90","","90","","2532.46","0.14","294.29","0.1","294.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F3 N O5 -","- C28 H22 F3 N O5 -","- C112 H88 F12 N4 O20 -","4","1","","Gao, Tai-Ping; Liu, Dan; Lin, Jun-Bing; Hu, Xiu-Qin; Wang, Zhu-Yin; Xu, Peng-Fei","Direct construction of chiral quaternary dihydropyranones through highly enantioselective organocatalytic hetero-Diels‒Alder reactions of olefinic azlactones","Organic Chemistry Frontiers","2016","3","5","598","","10.1039/C6QO00018E","","","1.54184","CuKα","","0.0838","0.0533","","","0.12","0.1481","","","","","","1.013","","","","has coordinates,has disorder","234975","2020-10-21","18:00:00",""
"1553420","12.5809","0.0003","8.9728","0.0002","13.319","0.0003","90","","93.554","","90","","1500.64","0.06","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C2.632 H5.053 N0.211 O0.526 S0.105 Si0.105 -","- C2.63158 H5.05263 N0.210526 O0.526316 S0.105263 Si0.105263 -","- C50 H96 N4 O10 S2 Si2 -","19","9.5","","Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang","A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline","Organic Chemistry Frontiers","2016","3","6","683","","10.1039/C6QO00022C","","","0.71073","MoKα","","0.1561","0.0612","","","0.1222","0.2001","","","","","","0.9634","","","","has coordinates","234977","2020-10-21","18:00:00",""
"1553421","11.701","0.002","14.628","0.003","25.939","0.005","90","","90","","90","","4439.8","1.5","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C1.798 H2.517 Cl0.09 N0.18 O0.404 S0.09 -","- C1.79775 H2.51685 Cl0.0898876 N0.179775 O0.404494 S0.0898876 -","- C160 H224 Cl8 N16 O36 S8 -","89","22.25","","Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang","A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline","Organic Chemistry Frontiers","2016","3","6","683","","10.1039/C6QO00022C","","","0.71073","MoKα","","0.093","0.0653","","","0.1515","0.1711","","","","","","1.0281","","","","has coordinates","234977","2020-10-21","18:00:00",""
"1553422","22.824","0.001","22.583","0.001","47.813","0.001","90","","90","","90","","24644.5","1.6","100","1","100","1","","","","","","","","7","P n n n :2","-P 2ab 2bc","48","","","","- C250 H238 F24 N18 O12 P4 Ru2 -","- C190 H178 F24 N18 O12 P4 Ru2 -","- C760 H712 F96 N72 O48 P16 Ru8 -","4","0.5","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.8","synchrotronX-rays","","0.175","0.1536","","","0.4615","0.494","","","","","","2.178","","","","has coordinates","234980","2020-10-21","18:00:00",""
"1553423","20.3614","0.0003","15.5902","0.0003","30.5936","0.0005","90","","94.4504","0.0009","90","","9682.3","0.3","160","1","160","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H102 F12 N10 O8 P2 Ru -","- C82 H90 F12 N6 O8 P2 Ru -","- C328 H360 F48 N24 O32 P8 Ru4 -","4","1","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.71073","MoKα","","0.1644","0.1001","","","0.2714","0.3174","","","","","","1.032","","","","has coordinates,has disorder","234980","2020-10-21","18:00:00",""
"1553424","11.0301","0.0002","12.3939","0.0004","21.8715","0.0007","76.878","0.0012","78.788","0.0019","87.305","0.002","2856.3","0.14","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C102 H130 F12 N10 O26 S4 Zn2 -","- C102 H130 F12 N10 O26 S4 Zn2 -","- C102 H130 F12 N10 O26 S4 Zn2 -","1","0.5","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.71073","MoKα","","0.0704","0.0495","","","0.115","0.1256","","","","","","1.035","","","","has coordinates,has disorder","234980","2020-10-21","18:00:00",""
"1553425","15.004","0.0005","15.1525","0.0004","21.5611","0.0007","98.4023","0.0018","98.0121","0.0012","108.321","0.002","4512.9","0.3","160","1","160","1","","","","","","","","8","P -1","-P 1","2","","","","- C155 H166 Cl22 F24 N12 O12 P4 Ru2 -","- C144 H144 F24 N12 O12 P4 Ru2 -","- C144 H144 F24 N12 O12 P4 Ru2 -","1","0.5","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.71073","MoKα","","0.0964","0.0627","","","0.1493","0.1674","","","","","","1.023","","","","has coordinates,has disorder","234980","2020-10-21","18:00:00",""
"1553426","14.556","0.001","24.668","0.001","26.949","0.001","90","","93.27","0.01","90","","9660.8","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C98 H98 Br2 F12 N16 O10 P2 Ru -","- C78 H68 Br2 F12 N6 O10 P2 Ru -","- C312 H272 Br8 F48 N24 O40 P8 Ru4 -","4","1","","Veliks, Janis; Seifert, Helen M.; Frantz, Derik K.; Klosterman, Jeremy K.; Tseng, Jui-Chang; Linden, Anthony; Siegel, Jay S.","Towards the molecular Borromean link with three unequal rings: double-threaded ruthenium(ii) ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","667","","10.1039/C6QO00025H","","","0.6916","synchrotronX-rays","","0.0797","0.0693","","","0.2007","0.2072","","","","","","1.054","","","","has coordinates","234983","2020-10-21","18:00:00",""
"1553427","13.6711","0.0002","16.967","0.0002","22.4266","0.0003","71.073","0.001","82.622","0.001","68.288","0.001","4571.45","0.11","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C180 H194 F24 N22 O18 P4 Ru2 -","- C168 H176 F24 N16 O18 P4 Ru2 -","- C168 H176 F24 N16 O18 P4 Ru2 -","1","0.5","","Veliks, Janis; Seifert, Helen M.; Frantz, Derik K.; Klosterman, Jeremy K.; Tseng, Jui-Chang; Linden, Anthony; Siegel, Jay S.","Towards the molecular Borromean link with three unequal rings: double-threaded ruthenium(ii) ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","667","","10.1039/C6QO00025H","","","1.54184","CuKα","","0.0803","0.069","","","0.2021","0.2134","","","","","","1.072","","","","has coordinates,has disorder","234983","2020-10-21","18:00:00",""
"1553428","19.5895","0.001","7.0388","0.0003","9.2405","0.0004","90","","91.626","0.004","90","","1273.63","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Yu, Jingxun; Ma, Haichen; Yao, Hongliang; Cheng, Hang; Tong, Rongbiao","Diastereoselective and regiodivergent oxa-[3 + 2] cycloaddition of Achmatowicz products and cyclic 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2016","3","6","714","","10.1039/C6QO00034G","","x-ray","0.71073","MoKα","","0.0674","0.0452","","","0.0972","0.1067","","","","","","1.002","","","","has coordinates","234985","2020-10-21","18:00:00",""
"1553429","8.144","0.0006","14.5913","0.001","11.013","0.0007","90","","94.901","0.007","90","","1303.91","0.16","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Yu, Jingxun; Ma, Haichen; Yao, Hongliang; Cheng, Hang; Tong, Rongbiao","Diastereoselective and regiodivergent oxa-[3 + 2] cycloaddition of Achmatowicz products and cyclic 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2016","3","6","714","","10.1039/C6QO00034G","","x-ray","0.71073","MoKα","","0.1435","0.0596","","","0.0906","0.1137","","","","","","1.001","","","","has coordinates","234985","2020-10-21","18:00:00",""
"1553430","8.1449","0.0002","10.8999","0.0004","16.4545","0.0006","90","","90","","90","","1460.81","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O2 -","- C17 H16 Cl N O2 -","- C68 H64 Cl4 N4 O8 -","4","1","","Vyas, Vijyesh K.; Bhanage, Bhalchandra M.","Asymmetric transfer hydrogenation of seven membered tricyclic ketones: N-substituted dibenzo[b,e]azepine-6,11-dione driven by nonclassical CH/O interactions","Organic Chemistry Frontiers","2016","3","5","614","","10.1039/C6QO00036C","","x-ray","1.54184","CuKα","","0.0619","0.05","","","0.1187","0.1301","","","","","","1.028","","","","has coordinates","234987","2020-10-21","18:00:00",""
"1553431","9.837","0.002","10.113","0.002","14.456","0.003","90","","106.063","0.008","90","","1382","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N4 O3 -","- C31 H28 N4 O3 -","- C62 H56 N8 O6 -","2","1","","Zhu, Yi; Li, Yao; Meng, Qingbin; Li, Xin","An organocatalytic enantioselective vinylogous Mannich reaction of α,α-dicyanoolefins with isatin N-Boc ketimines","Organic Chemistry Frontiers","2016","3","6","709","","10.1039/C6QO00038J","","","1.54187","CuKα","","0.0283","0.0278","","","0.0742","0.0783","","","","","","1.069","","","","has coordinates","234989","2020-10-21","18:00:00",""
"1553432","7.7032","0.001","16.441","0.002","14.9629","0.0018","90","","90","","90","","1895","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4a","4a","","- C23 H15 Cl3 N2 O2 -","- C23 H15 Cl3 N2 O2 -","- C92 H60 Cl12 N8 O8 -","4","1","","Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen","Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C‒H and O‒H cross-dehydrogenative coupling","Organic Chemistry Frontiers","2016","3","7","799","","10.1039/C6QO00040A","","","0.71","MoKα","","0.0947","0.0629","","","0.1296","0.1592","","","","","","1.006","","","","has coordinates","234991","2020-10-21","18:00:00",""
"1553433","7.147","0.0016","7.9449","0.0018","16.405","0.004","101.767","0.002","96.018","0.002","106.731","0.0018","859.9","0.3","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","3k","3k","","- C21 H12 Cl N3 O2 -","- C21 H12 Cl N3 O2 -","- C42 H24 Cl2 N6 O4 -","2","1","","Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen","Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C‒H and O‒H cross-dehydrogenative coupling","Organic Chemistry Frontiers","2016","3","7","799","","10.1039/C6QO00040A","","","0.71","MoKα","","0.0561","0.0422","","","0.141","0.155","","","","","","1.16","","","","has coordinates","234991","2020-10-21","18:00:00",""
"1553434","9.986","0.007","15.521","0.011","8.74","0.006","90","","101.027","0.009","90","","1329.6","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br O2 -","- C16 H11 Br O2 -","- C64 H44 Br4 O8 -","4","1","","Qiu, Guanyinsheng; Liu, Tong; Ding, Qiuping","Tandem oxidative radical brominative addition of activated alkynes and spirocyclization: switchable synthesis of 3-bromocoumarins and 3-bromo spiro-[4,5] trienone","Organic Chemistry Frontiers","2016","3","4","510","","10.1039/C6QO00041J","","","0.71073","MoKα","","0.0571","0.0369","","","0.0878","0.0934","","","","","","0.896","","","","has coordinates","234993","2020-10-21","18:00:00",""
"1553435","6.3266","0.0006","11.3868","0.0011","18.6894","0.0019","94.305","0.002","99.144","0.002","100.166","0.002","1301","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H24 O3 -","- C37 H24 O3 -","- C74 H48 O6 -","2","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0539","0.047","","","0.1316","0.1432","","","","","","1.062","","","","has coordinates","234995","2020-10-21","18:00:00",""
"1553436","6.514","0.0009","11.9444","0.0016","17.215","0.002","93.28","0.003","94.949","0.003","104.241","0.003","1289.2","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H26 O2 -","- C37 H26 O2 -","- C74 H52 O4 -","2","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0549","0.045","","","0.1126","0.1179","","","","","","1.045","","","","has coordinates","234995","2020-10-21","18:00:00",""
"1553437","12.8713","0.0007","12.9061","0.0008","18.4438","0.0011","83.491","0.001","70.221","0.001","87.197","0.001","2864.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N O3.5 -","- C38 H27 N O3.5 -","- C152 H108 N4 O14 -","4","2","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0783","0.0591","","","0.1486","0.164","","","","","","1.035","","","","has coordinates,has disorder","234995","2020-10-21","18:00:00",""
"1553438","9.5936","0.0012","9.4163","0.0012","34.688","0.005","90","","93.15","0.003","90","","3128.8","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 O6 -","- C41 H34 O6 -","- C164 H136 O24 -","4","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.068","0.0483","","","0.1235","0.1367","","","","","","1.037","","","","has coordinates","234995","2020-10-21","18:00:00",""
"1553439","9.837","0.002","10.766","0.002","13.71","0.003","87.68","0.03","77.4","0.03","71.54","0.03","1343.4","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C76 H52 O4 -","2","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0713","0.0533","","","0.1418","0.1527","","","","","","1.054","","","","has coordinates","234995","2020-10-21","18:00:00",""
"1553440","26.128","0.002","8.1552","0.0008","21.487","0.002","90","","119.724","0.002","90","","3976","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 O -","- C29 H20 O -","- C232 H160 O8 -","8","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0664","0.0532","","","0.1243","0.1312","","","","","","1.065","","","","has coordinates","234995","2020-10-21","18:00:00",""
"1553441","19.7803","0.0006","8.925","0.0003","17.1219","0.0005","90","","93.062","0.001","90","","3018.37","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C71 H64 O24 -","- C71 H64 O24 -","- C142 H128 O48 -","2","0.5","","Leowanawat, Pawaret; Nowak-Król, Agnieszka; Würthner, Frank","Tetramethoxy-bay-substituted perylene bisimides by copper-mediated cross-coupling","Organic Chemistry Frontiers","2016","3","5","537","","10.1039/C6QO00047A","","","1.54178","CuKα","","0.0541","0.0448","","","0.1018","0.108","","","","","","1.081","","","","has coordinates,has disorder","234997","2020-10-21","18:00:00",""
"1553442","13.1094","0.0007","8.943","0.0005","14.6031","0.0009","90","","105.214","0.002","90","","1652.03","0.16","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","1","","Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke","Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles","Organic Chemistry Frontiers","2016","3","5","609","","10.1039/C6QO00053C","","","0.71073","MoKα","","0.053","0.0421","","","0.1089","0.1168","","","","","","1.027","","","","has coordinates","234999","2020-10-21","18:00:00",""
"1553443","11.6939","0.0007","9.4598","0.0005","16.9069","0.001","90","","91.481","0.003","90","","1869.65","0.19","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 S -","- C23 H24 N2 S -","- C92 H96 N8 S4 -","4","1","","Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke","Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles","Organic Chemistry Frontiers","2016","3","5","609","","10.1039/C6QO00053C","","","0.71073","MoKα","","0.0851","0.0497","","","0.1172","0.1342","","","","","","1.042","","","","has coordinates","234999","2020-10-21","18:00:00",""
"1553444","5.9262","0.0004","8.0475","0.0005","31.957","0.002","90","","90","","90","","1524.06","0.17","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Phanindrudu, Mandalaparthi; Tiwari, Dipak Kumar; Sridhar, B.; Likhar, Pravin R.; Tiwari, Dharmendra Kumar","Magnetically separable nano-copper catalyzed unprecedented stereoselective synthesis of E-vinyl sulfones from tosylmethyl isocyanide and alkynes: TosMIC as a source of the sulfonyl group","Organic Chemistry Frontiers","2016","3","7","795","","10.1039/C6QO00063K","","","0.71073","MoKα","","0.089","0.0663","","","0.1648","0.1804","","","","","","1.117","","","","has coordinates,has disorder","235001","2020-10-21","18:00:00",""
"1553445","13.4028","0.0008","11.2931","0.0006","14.0439","0.0008","90","","91.99","0.002","90","","2124.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Br2 N2 O2 -","- C23 H20 Br2 N2 O2 -","- C92 H80 Br8 N8 O8 -","4","1","","Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone","Organic Chemistry Frontiers","2016","3","6","759","","10.1039/C6QO00087H","","","0.71073","MoKα","","0.0723","0.0423","","","0.1003","0.116","","","","","","1.026","","","","has coordinates","235003","2020-10-21","18:00:00",""
"1553446","12.5457","0.0006","22.382","0.001","12.6621","0.0005","90","","92.052","0.001","90","","3553.2","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H56 Au Cl N O P S -","- C36 H56 Au Cl N O P S -","- C144 H224 Au4 Cl4 N4 O4 P4 S4 -","4","2","","Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone","Organic Chemistry Frontiers","2016","3","6","759","","10.1039/C6QO00087H","","","0.71073","MoKα","","0.0372","0.033","","","0.0732","0.0763","","","","","","1.044","","","","has coordinates","235003","2020-10-21","18:00:00",""
"1553447","21.51","0.02","10.73","0.01","19.7","0.019","90","","113.492","0.012","90","","4170","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O3 S -","- C26 H21 N O3 S -","- C208 H168 N8 O24 S8 -","8","1","","Gong, Xinxing; Xia, Hongguang; Wu, Jie","A palladium-catalyzed tandem reaction of 2-alkynylbenzenesulfonamides with 2-(2-bromoarylidene)cyclobutanones","Organic Chemistry Frontiers","2016","3","6","697","","10.1039/C6QO00091F","","","0.71073","MoKα","","0.1656","0.1158","","","0.3092","0.3265","","","","","","1.056","","","","has coordinates","235005","2020-10-21","18:00:00",""
"1553448","10.5273","0.0012","11.4221","0.0014","34.217","0.004","90.072","0.003","98.137","0.003","105.697","0.003","3917.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 F N4 -","- C23 H21 F N4 -","- C184 H168 F8 N32 -","8","4","","Jiang, Yu; Wang, Qiang; Sun, Run; Tang, Xiang-Ying; Shi, Min","Base-induced synthesis of N-dialkylaminomethyl-2H-1,2,3-triazoles from N-sulfonyl-1,2,3-triazoles","Organic Chemistry Frontiers","2016","3","6","744","","10.1039/C6QO00102E","","","0.71073","MoKα","","0.1396","0.0679","","","0.1742","0.2272","","","","","","0.958","","","","has coordinates","235007","2020-10-21","18:00:00",""
"1553449","9.02156","0.00013","9.44417","0.00011","30.948","0.0004","90","","90","","90","","2636.81","0.06","291.29","0.1","291.29","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N O6 -","- C32 H25 N O5.955 -","- C128 H100 N4 O23.82 -","4","1","","Ran, Guang-Yao; Wang, Pan; Du, Wei; Chen, Ying-Chun","α-Regioselective [3 + 2] annulations with Morita‒Baylis‒Hillman carbonates of isatins and 2-nitro-1,3-enynes","Organic Chemistry Frontiers","2016","3","7","861","","10.1039/C6QO00118A","","x-ray","1.54184","CuKα","","0.0536","0.0532","","","0.1478","0.1485","","","","","","1.029","","","","has coordinates,has disorder","235009","2020-10-21","18:00:00",""
"1553450","7.187","0.003","10.356","0.004","11.075","0.004","66.214","0.01","86.273","0.017","89.284","0.017","752.6","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N S -","- C21 H13 N S -","- C42 H26 N2 S2 -","2","1","","Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming","Copper-catalyzed tandem arylation‒cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles","Organic Chemistry Frontiers","2016","3","7","870","","10.1039/C6QO00133E","","","0.71073","MoKα","","0.0659","0.0583","","","0.1187","0.1224","","","","","","1.176","","","","has coordinates","235011","2020-10-21","18:00:00",""
"1553451","11.0789","0.0015","11.6353","0.0015","16.29","0.003","93.084","0.009","106.29","0.01","115.259","0.008","1786.1","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","2","","Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming","Copper-catalyzed tandem arylation‒cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles","Organic Chemistry Frontiers","2016","3","7","870","","10.1039/C6QO00133E","","","0.71073","MoKα","","0.0546","0.0487","","","0.16","0.1651","","","","","","1.227","","","","has coordinates","235011","2020-10-21","18:00:00",""
"1553452","13.5013","0.001","18.6052","0.0013","13.6121","0.0009","90","","106.649","0.008","90","","3275.9","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C152 H136 N8 O40 -","8","2","","Görgen née Boersch, Christina; Lutsenko, Kiril; Merkul, Eugen; Frank, Walter; Müller, Thomas J. J.","Catalytic one-pot synthesis of 4-(hetero)aryl substituted 5-(2-oxoethyl) oxazol-2(3H)-ones by coupling‒isomerization‒elimination (CIE) sequence","Organic Chemistry Frontiers","2016","3","7","887","","10.1039/C6QO00138F","","","0.71073","MoKα","","0.0705","0.0318","","","0.0553","0.0581","","","","","","0.8","","","","has coordinates","235014","2020-10-21","18:00:00",""
"1553453","8.4973","0.001","40.566","0.006","26.516","0.004","90","","97.469","0.004","90","","9063","2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ru_nts_coord_diester_7a","","","- C48 H53 Cl2 N3 O6 Ru S -","- C48 H53 Cl2 N3 O6 Ru S -","- C384 H424 Cl16 N24 O48 Ru8 S8 -","8","2","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","","","0.186","0.0803","","","0.1831","0.244","","","","","","1.035","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553454","16.8326","0.0017","12.2762","0.0018","20.4575","0.0012","90","","90","","90","","4227.3","0.8","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H49 Cl2 N3 O3 Ru S -","- C44 H49 Cl2 N3 O3 Ru S -","- C176 H196 Cl8 N12 O12 Ru4 S4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","MoKα","","0.0556","0.0353","","","0.0837","0.0953","","","","","","1.084","","","","has coordinates,has disorder","235018","2020-10-21","18:00:00",""
"1553455","11.3136","0.0015","21.889","0.003","16.102","0.003","90","","97.063","0.005","90","","3957.3","1.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","vs_nts_vs_oac_2","","","- C40 H47 Cl2 N3 O4 Ru S -","- C40 H47 Cl2 N3 O4 Ru S -","- C160 H188 Cl8 N12 O16 Ru4 S4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","MoKα","","0.0622","0.0479","","","0.1348","0.1589","","","","","","1.122","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553456","20.114","0.003","8.8782","0.001","20.665","0.003","90","","105.736","0.004","90","","3552","0.8","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cl2 N2 O3 Ru -","- C36 H46 Cl2 N2 O3 Ru -","- C144 H184 Cl8 N8 O12 Ru4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","MoKα","","0.0939","0.0789","","","0.2425","0.253","","","","","","1.218","","","","has coordinates,has disorder","235018","2020-10-21","18:00:00",""
"1553457","12.073","0.0019","18.008","0.003","10.7084","0.0015","90","","90","","90","","2328.1","0.6","199","2","199","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H26 Cl3 N2 O Ru -","- C22 H26 Cl2.5 N2 O Ru -","- C88 H104 Cl10 N8 O4 Ru4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","","","0.0935","0.0548","","","0.1458","0.1765","","","","","","1.085","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553458","40.354","0.008","40.354","0.008","14.657","0.003","90","","90","","120","","20670","7","200","2","200","2","","","","","","","","7","R -3 :H","-R 3","148","vs_nts_ru2","","","- C42 H43 Cl2 N3 O4 Ru S -","- C42 H43 Cl2 N3 O4 Ru S -","- C756 H774 Cl36 N54 O72 Ru18 S18 -","18","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","","","0.0857","0.066","","","0.1839","0.1966","","","","","","1.297","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553459","10.0639","0.0019","8.163","0.0016","20.469","0.004","90","","101.995","0.003","90","","1644.8","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3ak in manuscript","","","- C14 H10 F12 N2 -","- C14 H10 F12 N2 -","- C56 H40 F48 N8 -","4","1","","Xie, Jin; Li, Jian; Wurm, Thomas; Weingand, Vanessa; Sung, Hui-Ling; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K.","A general photoinduced electron transfer-directed chemoselective perfluoroalkylation of N,N-dialkylhydrazones","Organic Chemistry Frontiers","2016","3","7","841","","10.1039/C6QO00158K","","","0.71073","MoKα","","0.125","0.0629","","","0.1353","0.1556","","","","","","1.053","","","","has coordinates,has disorder","235020","2020-10-21","18:00:00",""
"1553460","16.558","0.003","17.307","0.004","19.571","0.004","90","","90","","90","","5608","2","173.15","","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl2 F3 N7 S -","- C27 H26 Cl2 F3 N7 S -","- C216 H208 Cl16 F24 N56 S8 -","8","1","","Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang","Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates","Organic Chemistry Frontiers","2016","3","7","880","","10.1039/C6QO00161K","","","0.71073","MoKα","","0.0947","0.0895","","","0.2241","0.2349","","","","","","1.243","","","","has coordinates,has disorder","235022","2020-10-21","18:00:00",""
"1553461","9.817","0.002","11.968","0.002","13.149","0.003","102.73","0.03","99.17","0.03","104.43","0.03","1421.3","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 F6 N7 S2 -","- C27 H23 F6 N7 S2 -","- C54 H46 F12 N14 S4 -","2","1","","Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang","Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates","Organic Chemistry Frontiers","2016","3","7","880","","10.1039/C6QO00161K","","","0.71073","MoKα","","0.0544","0.0491","","","0.1644","0.1691","","","","","","1.29","","","","has coordinates","235022","2020-10-21","18:00:00",""
"1553462","14.717","0.003","15.564","0.003","12.282","0.003","90","","103.48","0.03","90","","2735.8","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 F6 N7 S2 -","- C27 H23 F6 N7 S2 -","- C108 H92 F24 N28 S8 -","4","1","","Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang","Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates","Organic Chemistry Frontiers","2016","3","7","880","","10.1039/C6QO00161K","","","0.71073","MoKα","","0.0733","0.0659","","","0.1403","0.1443","","","","","","1.181","","","","has coordinates","235022","2020-10-21","18:00:00",""
"1553463","10.82","0.006","10.975","0.006","11.163","0.006","74.634","0.005","62.808","0.005","65.132","0.005","1065.4","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Cl2 N3 O4 S -","- C17 H25 Cl2 N3 O4 S -","- C34 H50 Cl4 N6 O8 S2 -","2","1","","Zhou, Kaida; Xia, Hongguang; Wu, Jie","Generation of (2-oxoindolin-3-yl)methanesulfonohydrazides via a photo-induced reaction of N-(2-iodoaryl)acrylamide, DABSO, and hydrazine","Organic Chemistry Frontiers","2016","3","7","865","","10.1039/C6QO00163G","","","0.71073","MoKα","","0.0899","0.0806","","","0.2404","0.2518","","","","","","1.058","","","","has coordinates","235024","2020-10-21","18:00:00",""
"1553464","11.266","0.0013","12.1474","0.0015","16.278","0.0019","73.095","0.003","73.52","0.003","84.96","0.003","2043.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F3 N O6 -","- C22 H18 F3 N O6 -","- C88 H72 F12 N4 O24 -","4","2","","Li, Zong-Rui; Bao, Xing-Xing; Sun, Jian; Shen, Jing; Wu, Dun-Qi; Liu, Yan-Kai; Deng, Qing-Hai; Liu, Feng","Iron-catalyzed trifluoromethylation of vinylcyclopropanes: facile synthesis of CF3‒containing dihydronaphthalene derivatives","Organic Chemistry Frontiers","2016","3","8","934","","10.1039/C6QO00166A","","","0.71073","MoKα","","0.0784","0.0537","","","0.1486","0.1685","","","","","","1.014","","","","has coordinates","235026","2020-10-21","18:00:00",""
"1553465","25.856","0.0009","5.37038","0.00017","21.5154","0.0007","90","","101.646","0.003","90","","2926.05","0.17","99.98","0.11","99.98","0.11","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","8a","","- C16 H16 B N3 O2 -","- C16 H16 B N3 O2 -","- C128 H128 B8 N24 O16 -","8","1","","Zhai, Wenlei; Chapin, Brette M.; Yoshizawa, Akina; Wang, Hui-Chen; Hodge, Stephen A.; James, Tony D.; Anslyn, Eric V.; Fossey, John S.","“Click-fluors”: triazole-linked saccharide sensors","Organic Chemistry Frontiers","2016","3","8","918","","10.1039/C6QO00171H","","x-ray","0.71073","MoKα","","0.0491","0.0418","","","0.1011","0.1059","","","","","","1.09","","","","has coordinates","235028","2020-10-21","18:00:00",""
"1553466","7.1065","0.0004","9.0913","0.0006","17.685","0.0011","81.994","0.005","84.409","0.005","68.79","0.006","1053.43","0.12","99.9","0.2","99.9","0.2","","","","","","","","5","P -1","-P 1","2","","13a","","- C24 H24 B N3 O4 -","- C24 H24 B N3 O4 -","- C48 H48 B2 N6 O8 -","2","1","","Zhai, Wenlei; Chapin, Brette M.; Yoshizawa, Akina; Wang, Hui-Chen; Hodge, Stephen A.; James, Tony D.; Anslyn, Eric V.; Fossey, John S.","“Click-fluors”: triazole-linked saccharide sensors","Organic Chemistry Frontiers","2016","3","8","918","","10.1039/C6QO00171H","","x-ray","1.54184","CuKα","","0.0539","0.0443","","","0.1147","0.1232","","","","","","1.042","","","","has coordinates","235028","2020-10-21","18:00:00",""
"1553467","4.4197","0.0005","11.6677","0.0013","22.915","0.002","90","","90","","90","","1181.7","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","","Zhang, Xu; Xu, Bin; Xu, Ming-Hua","Rhodium-catalyzed asymmetric arylation of N- and O-containing cyclic aldimines: facile and efficient access to highly optically active 3,4-dihydrobenzo[1,4]oxazin-2-ones and dihydroquinoxalinones","Organic Chemistry Frontiers","2016","3","8","944","","10.1039/C6QO00191B","","","0.71073","MoKα","","0.1053","0.0562","","","0.0883","0.0994","","","","","","1.021","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1553468","9.4647","0.0007","12.7252","0.0009","11.5908","0.0008","90","","108.624","0.001","90","","1322.9","0.16","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H15 Cl N2 Pd -","- C14 H15 Cl N2 Pd -","- C56 H60 Cl4 N8 Pd4 -","4","2","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","","0.71075","MoKα","","0.0332","0.0331","","","0.0883","0.0884","","","","","","1.097","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553469","9.6575","0.0007","11.675","0.0008","26.2578","0.0018","90","","92.079","0.001","90","","2958.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl N2 Pd -","- C16 H19 Cl N2 Pd -","- C128 H152 Cl8 N16 Pd8 -","8","2","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0257","0.0229","","","0.0604","0.0616","","","","","","1.067","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553470","6.9704","0.0005","17.1706","0.0011","12.2014","0.0009","90","","97.943","0.002","90","","1446.33","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl N2 O Pd -","- C16 H17 Cl N2 O Pd -","- C64 H68 Cl4 N8 O4 Pd4 -","4","1","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0249","0.0229","","","0.0556","0.0562","","","","","","1.187","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553471","12.2558","0.0003","9.9099","0.0003","17.4367","0.0005","90","","109.768","0.003","90","","1992.95","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Cl N O P Pd -","- C24 H19 Cl N O P Pd -","- C96 H76 Cl4 N4 O4 P4 Pd4 -","4","1","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0321","0.0268","","","0.0649","0.0673","","","","","","1.038","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553472","9.0641","0.0002","9.6782","0.0003","12.7031","0.0004","91.535","0.003","108.207","0.003","112.231","0.003","966.47","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H17 Cl N O P Pd -","- C23 H17 Cl N O P Pd -","- C46 H34 Cl2 N2 O2 P2 Pd2 -","2","1","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0216","0.0201","","","0.0508","0.0514","","","","","","1.029","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553473","5.4373","0.0006","22.5643","0.0019","15.678","0.003","90","","91.295","0.01","90","","1923","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N O S -","- C25 H17 N O S -","- C100 H68 N4 O4 S4 -","4","1","","Singh, Radhey M.; Kumar, Ritush; Bharadwaj, Kishor Chandra; Gupta, Tanu","Pd catalyzed facile synthesis of cyclopenta[b]quinolin-1-one via sequential Sonogashira coupling and annulation. An unusual mode of ring closure, using sulphur as a soft nucleophile","Organic Chemistry Frontiers","2016","3","9","1100","","10.1039/C6QO00203J","","","0.71073","MoKα","","0.1745","0.0803","","","0.136","0.1715","","","","","","1.015","","","","has coordinates","235034","2020-10-21","18:00:00",""
"1553474","9.2253","0.0012","12.0172","0.0019","12.8207","0.0016","65.023","0.014","76.245","0.011","83.655","0.012","1251.4","0.3","143","","143","","","","","","","","","2","P -1","-P 1","2","","","","- C36 H26 -","- C36 H26 -","- C72 H52 -","2","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","x-ray","1.5418","CuKα","","0.0532","0.0389","","","0.0933","0.0973","","","","","","1.003","","","","has coordinates","235036","2020-10-21","18:00:00",""
"1553475","9.4248","0.0007","9.6366","0.0007","25.0543","0.0016","90","","94.474","0.002","90","","2268.6","0.3","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 -","- C32 H24 -","- C128 H96 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","","0.71073","MoKα","","0.0816","0.0469","","","0.0886","0.1","","","","","","1.043","","","","has coordinates","235036","2020-10-21","18:00:00",""
"1553476","16.4844","0.0014","9.1722","0.0012","19.225","0.003","90","","107.472","0.012","90","","2772.7","0.6","143","","143","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","x-ray","1.5418","CuKα","","0.0563","0.0387","","","0.0832","0.0872","","","","","","1.006","","","","has coordinates","235036","2020-10-21","18:00:00",""
"1553477","11.3717","0.0002","15.9519","0.0003","15.1309","0.0003","90","","93.429","0.002","90","","2739.83","0.09","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","","1.54178","CuKα","","0.0443","0.036","","","0.0965","0.0995","","","","","","1.023","","","","has coordinates","235036","2020-10-21","18:00:00",""
"1553478","9.5798","0.0002","10.2198","0.0003","29.4004","0.0008","90","","96.324","0.002","90","","2860.89","0.13","173","","173","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","x-ray","1.5418","CuKα","","0.0723","0.0474","","","0.1076","0.1135","","","","","","1.005","","","","has coordinates,has disorder","235036","2020-10-21","18:00:00",""
"1553479","12.766","0.003","16.24","0.003","13.427","0.003","90","","107.96","0.03","90","","2648","1.1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5R,8S,9R,10R)-2-(4-Chlorophenyl)-8-(2-methoxyphenyl)-4-methyl-9-nitro-10-(3-nitrophenyl)-2,3-diazaspiro[4.5]dec-3-ene-1,6-dione","","- C28 H23 Cl N4 O7 -","- C28 H23 Cl N4 O7 -","- C112 H92 Cl4 N16 O28 -","4","2","","Li, Jun-Hua; Cui, Zhi-Hao; Du, Da-Ming","Diastereo- and enantioselective construction of cyclohexanone-fused spirospyrazolones containing four consecutive stereocenters through asymmetric sequential reactions","Organic Chemistry Frontiers","2016","3","9","1087","","10.1039/C6QO00208K","","","0.71073","MoKα","","0.0808","0.0718","","","0.1939","0.2157","","","","","","1.11","","","","has coordinates","235038","2020-10-21","18:00:00",""
"1553480","11.7876","0.0009","19.8876","0.0014","12.1607","0.0008","90","","94.193","0.007","90","","2843.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C136 H176 O16 -","8","2","","Ondet, Pierrick; Lempenauer, Luisa; Duñach, Elisabet; Lemière, Gilles","Bismuth(iii) triflate-catalysed tandem cyclisations towards complex polycyclic ethers","Organic Chemistry Frontiers","2016","3","8","999","","10.1039/C6QO00212A","","x-ray","0.71073","MoKα","","0.1574","0.0679","","","0.1576","0.2007","","","","","","1.02","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1553481","19.1606","0.0011","13.3348","0.0005","23.8068","0.0011","90","","108.315","0.005","90","","5774.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C272 H352 O32 -","16","4","","Ondet, Pierrick; Lempenauer, Luisa; Duñach, Elisabet; Lemière, Gilles","Bismuth(iii) triflate-catalysed tandem cyclisations towards complex polycyclic ethers","Organic Chemistry Frontiers","2016","3","8","999","","10.1039/C6QO00212A","","x-ray","1.54184","CuKα","","0.0707","0.0451","","","0.1126","0.131","","","","","","1.02","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553482","8.2306","0.0009","9.8924","0.0012","26.999","0.004","90","","98.152","0.013","90","","2176.1","0.5","293.78","0.1","293.78","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(7aR,9aS,11R)-9a-methoxy-4-tosyl-3,4,5,6,9a,11-hexahydro-1H-7a,11-methanobenzofuro[3,3a-e]azonine-7,10(2H,8H)-dione","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C92 H108 N4 O24 S4 -","4","1","","Duan, Shuangshuang; Long, Dan; Zhao, Changgui; Zhao, Gaoyuan; Yuan, Ziyun; Xie, Xingang; Fang, Jianguo; She, Xuegong","Efficient construction of the A/C/D tricyclic skeleton of palhinine A","Organic Chemistry Frontiers","2016","3","9","1137","","10.1039/C6QO00222F","","x-ray","0.71","MoKα","","0.2471","0.1529","","","0.3522","0.4085","","","","","","1.054","","","","has coordinates","235042","2020-10-21","18:00:00",""
"1553483","10.005","0.002","9.977","0.002","18.125","0.004","90","","92.34","0.03","90","","1807.7","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Br O -","- C23 H19 Br O -","- C92 H76 Br4 O4 -","4","1","","Liu, Yu; Zhao, Peng; Zhang, Bo; Xi, Chanjuan","MeOTf-catalyzed annulation of aldehydes and arylalkynes leading to 2,3-disubstituted indanones","Organic Chemistry Frontiers","2016","3","9","1116","","10.1039/C6QO00253F","","","0.71073","MoKα","","0.0762","0.0602","","","0.1883","0.2344","","","","","","1.042","","","","has coordinates","235044","2020-10-21","18:00:00",""
"1553484","9.756","0.004","10.716","0.005","10.881","0.004","65.921","0.018","68.07","0.016","63.361","0.019","902.7","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 S -","- C23 H20 S -","- C46 H40 S2 -","2","1","","Ramesh, E.; Shankar, Majji; Dana, Suman; Sahoo, Akhila K.","Silver-mediated oxidative annulation of N-arylthio succinimides with alkynes: direct access to benzo[b]thiophenes","Organic Chemistry Frontiers","2016","3","9","1126","","10.1039/C6QO00259E","","","0.71073","MoKα","","0.0664","0.0453","","","0.1129","0.1232","","","","","","1.076","","","","has coordinates","235046","2020-10-21","18:00:00",""
"1553485","6.0606","0.0006","13.4845","0.0014","18.39","0.002","90","","91.36","0.004","90","","1502.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F S -","- C20 H13 F S -","- C80 H52 F4 S4 -","4","1","","Ramesh, E.; Shankar, Majji; Dana, Suman; Sahoo, Akhila K.","Silver-mediated oxidative annulation of N-arylthio succinimides with alkynes: direct access to benzo[b]thiophenes","Organic Chemistry Frontiers","2016","3","9","1126","","10.1039/C6QO00259E","","","0.71073","MoKα","","0.1383","0.0626","","","0.1128","0.1349","","","","","","1.012","","","","has coordinates","235046","2020-10-21","18:00:00",""
"1553486","31.8","0.014","8.994","0.004","13.605","0.006","90","","110.595","0.005","90","","3642","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 F3 I N O -","- C20 H17 F3 I N O -","- C160 H136 F24 I8 N8 O8 -","8","1","","An, Yuanyuan; Kuang, Yunyan; Wu, Jie","Synthesis of trifluoromethylated 3,4-dihydroquinolin-2(1H)-ones via a photo-induced radical cyclization of benzene-tethered 1,7-enynes with Togni reagent","Organic Chemistry Frontiers","2016","3","8","994","","10.1039/C6QO00267F","","","0.71073","MoKα","","0.0489","0.0341","","","0.0798","0.0833","","","","","","0.936","","","","has coordinates","235048","2020-10-21","18:00:00",""
"1553487","8.4058","0.0003","10.8659","0.0004","21.9188","0.0009","90","","90","","90","","2001.99","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3o","","- C21 H19 Br N2 O4 -","- C21 H19 Br N2 O4 -","- C84 H76 Br4 N8 O16 -","4","1","","Ma, Qiao; Gong, Lei; Meggers, Eric","Enantioselective β-alkylation of pyrroles with the formation of an all-carbon quaternary stereocenter","Organic Chemistry Frontiers","2016","3","10","1319","","10.1039/C6QO00273K","","","0.71073","MoKα","","0.0545","0.0449","","","0.0864","0.0898","","","","","","0.999","","","","has coordinates","235049","2020-10-21","18:00:00",""
"1553488","20.5231","0.0017","9.5667","0.0008","20.3255","0.0018","90","","115.091","0.002","90","","3614.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 O -","- C20 H18 N6 O -","- C160 H144 N48 O8 -","8","2","","Liu, Hou-Lu; Jiang, Yu; Hao, Jian; Tang, Xiang-Ying; Shi, Min","A new method to access triazole-fused spiro-guanidines from the reaction of isothiocyanates tethered N-sulfonyl-1,2,3-triazoles and amines","Organic Chemistry Frontiers","2016","3","11","1447","","10.1039/C6QO00304D","","","0.71073","MoKα","","0.124","0.0799","","","0.1656","0.1857","","","","","","1.088","","","","has coordinates","235050","2020-10-21","18:00:00",""
"1553489","7.504","0.011","8.467","0.012","13.179","0.018","95.607","0.018","102.6","0.02","110.95","0.02","748.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 I N2 O -","- C18 H11 I N2 O -","- C36 H22 I2 N4 O2 -","2","1","","Wu, Yan-Dong; Geng, Xiao; Gao, Qinghe; Zhang, Jingjing; Wu, Xia; Wu, An-Xin","Iodine-promoted sequential dual oxidative Csp3‒H amination/Csp3‒H iodination reactions: efficient synthesis of 1-iodoimidazo[1,5-a]pyridines","Organic Chemistry Frontiers","2016","3","11","1430","","10.1039/C6QO00313C","","","0.71073","MoKα","","0.0428","0.0332","","","0.0994","0.1136","","","","","","1.141","","","","has coordinates","235052","2020-10-21","18:00:00",""
"1553490","20.2007","0.0006","25.2676","0.0007","31.3498","0.0008","90","","90","","90","","16001.7","0.8","113","","113","","","","","","","","","5","P c c n","-P 2ab 2ac","56","2PdNAmX-2","","","- C60 H44 N4 O4 Pd2 -","- C60 H44 N4 O4 Pd2 -","- C720 H528 N48 O48 Pd24 -","12","1.5","","Naito, Masaya; Komiya, Naruyoshi; Naota, Takeshi","Homochiral association of binuclear trans-bis(β-iminoaryloxy)palladium(ii) complexes doubly linked with m-xylylene spacers: drastic linker-dependence of the association chirality of chiral clothespin-shaped molecules","Organic Chemistry Frontiers","2016","3","10","1286","","10.1039/C6QO00315J","","","0.71075","MoKα","","","0.0687","","","","0.1993","","","","","","1.037","","","","has coordinates","235053","2020-10-21","18:00:00",""
"1553491","27.6181","0.0017","13.0551","0.0009","30.802","0.002","90","","113.65","0.0017","90","","10173.2","1.2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2PdNAmX-1","","","- C61 H45 Cl3 N4 O4 Pd2 -","- C61 H45 Cl3 N4 O4 Pd2 -","- C488 H360 Cl24 N32 O32 Pd16 -","8","1","","Naito, Masaya; Komiya, Naruyoshi; Naota, Takeshi","Homochiral association of binuclear trans-bis(β-iminoaryloxy)palladium(ii) complexes doubly linked with m-xylylene spacers: drastic linker-dependence of the association chirality of chiral clothespin-shaped molecules","Organic Chemistry Frontiers","2016","3","10","1286","","10.1039/C6QO00315J","","","0.71075","MoKα","","","0.0732","","","","0.1673","","","","","","1.053","","","","has coordinates","235053","2020-10-21","18:00:00",""
"1553492","11.5223","0.0012","14.9948","0.0015","16.4141","0.0017","90","","90","","90","","2835.9","0.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O6 Si -","- C29 H44 O6 Si -","- C116 H176 O24 Si4 -","4","1","","Pérez-Estrada, S.; Sayar, N.; Granja, J. R.","Towards taxane analogues synthesis by dienyne ring closing metathesis","Organic Chemistry Frontiers","2016","3","10","1331","","10.1039/C6QO00321D","","x-ray","0.71073","MoKα","","0.06","0.0423","","","0.0857","0.0937","","","","","","1.019","","","","has coordinates","235056","2020-10-21","18:00:00",""
"1553493","27.836","0.004","7.8125","0.001","14.1759","0.0019","90","","92.711","0.002","90","","3079.4","0.7","110","2","110","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H40 O5 Si -","- C29 H40 O5 Si -","- C116 H160 O20 Si4 -","4","1","","Pérez-Estrada, S.; Sayar, N.; Granja, J. R.","Towards taxane analogues synthesis by dienyne ring closing metathesis","Organic Chemistry Frontiers","2016","3","10","1331","","10.1039/C6QO00321D","","x-ray","0.71073","MoKα","","0.0526","0.0394","","","0.0845","0.0894","","","","","","1.025","","","","has coordinates,has disorder","235056","2020-10-21","18:00:00",""
"1553494","13.6594","0.0014","5.9624","0.0005","17.4715","0.0018","90","","106.688","0.012","90","","1363","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Cui, Fei-Hu; Su, Shi-Xia; Xu, Yan-li; Liang, Ying; Wang, Heng-shan; Pan, Ying-Ming","Capture of CO2 in air for 4,5-disubstituted furan-2(5H)-ones","Organic Chemistry Frontiers","2016","3","10","1304","","10.1039/C6QO00328A","","x-ray","0.71073","MoKα","","0.1445","0.0656","","","0.1364","0.1923","","","","","","1.051","","","","has coordinates","235058","2020-10-21","18:00:00",""
"1553495","14.2296","0.0004","6.2823","0.0002","33.8457","0.001","90","","90.358","0.001","90","","3025.56","0.16","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 Cl2 N2 O6 -","- C38 H24 Cl2 N2 O6 -","- C152 H96 Cl8 N8 O24 -","4","1","","Wirtanen, T.; Muuronen, M.; Hurmalainen, J.; Tuononen, H. M.; Nieger, M.; Helaja, J.","Intermolecular oxidative dehydrogenative 3,3′-coupling of benzo[b]furans and benzo[b]thiophenes promoted by DDQ/H+: total synthesis of shandougenine B","Organic Chemistry Frontiers","2016","3","12","1738","","10.1039/C6QO00331A","","","1.54178","CuKα","","0.0608","0.0554","","","0.1524","0.1571","","","","","","1.086","","","","has coordinates","235060","2020-10-21","18:00:00",""
"1553496","13.909","0.004","20.264","0.002","22.762","0.002","90","","91.41","0.03","90","","6414","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H61 N7 O20 S4 -","- C62 H61 N7 O20 S4 -","- C248 H244 N28 O80 S16 -","4","1","","Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Brancatelli, Giovanna; Geremia, Silvano; Neri, Placido","A tetrasulfate-resorcin[6]arene cavitand as the host for organic ammonium guests","Organic Chemistry Frontiers","2016","3","10","1276","","10.1039/C6QO00336B","","","0.7","","","0.1064","0.1029","","","0.2779","0.2805","","","","","","1.053","","","","has coordinates,has disorder","235062","2020-10-21","18:00:00",""
"1553498","7.51038","0.0001","17.3551","0.0002","23.2172","0.0004","90","","90","","90","","3026.21","0.07","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triple 3c","","- C14 H17 N5 O4 -","- C14 H17 N5 O4 -","- C112 H136 N40 O32 -","8","2","","Naik, Siddhi D.; Chandra, Girish; Sahu, Pramod K.; Kim, Hong-Rae; Qu, Shuhao; Yoon, Ji-seong; Jeong, Lak Shin","Stereo- and regio-selective synthesis of 3′-C-substituted-(N)-methanocarba adenosines as potential anticancer agents","Organic Chemistry Frontiers","2016","3","11","1472","","10.1039/C6QO00358C","","x-ray","1.54184","CuKα","","0.028","0.0264","","","0.067","0.068","","","","","","1.027","","","","has coordinates","235066","2020-10-21","18:00:00",""
"1553499","12.057","0.004","8.771","0.002","14.736","0.005","90","","113.287","0.005","90","","1431.4","0.8","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Oxo-3-(trifluoromethyl)-1-oxaspiro[4.4]non-3-en-4-yl)benzonitrile","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C64 H48 F12 N4 O8 -","4","1","","Mizuta, Satoshi; Otaki, Hiroki; Kitamura, Kanami; Nishi, Kodai; Watanabe, Ken; Makau, Juliann Nzembi; Hashimoto, Ryo; Usui, Toshiya; Chiba, Kenya","3,3-Dibromo-2-trifluoromethyl acrylic acid ethyl ester: a versatile platform for the stereoselective preparation of functionalized-α-trifluoromethyl α,β-unsaturated lactones and trifluoromethyl pyrazolinones","Organic Chemistry Frontiers","2016","3","12","1661","","10.1039/C6QO00360E","","","0.71075","MoKα","","0.0921","0.0578","","","0.0995","0.1121","","","","","","1.068","","","","has coordinates","235068","2020-10-21","18:00:00",""
"1553500","8.165","0.002","9.432","0.002","10.126","0.003","85.485","0.007","83.241","0.008","73.145","0.007","740.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 Cl F3 N2 O -","- C17 H10 Cl F3 N2 O -","- C34 H20 Cl2 F6 N4 O2 -","2","1","","Jin, Li-Kun; Lu, Guo-Ping; Cai, Chun","Copper-catalyzed 8-amido chelation-induced regioselective C‒H fluoroalkylation of quinolines","Organic Chemistry Frontiers","2016","3","10","1309","","10.1039/C6QO00369A","","","0.71073","MoKα","","0.0787","0.063","","","0.1666","0.1787","","","","","","1.057","","","","has coordinates","235071","2020-10-21","18:00:00",""
"1553501","4.8217","0.0003","10.1093","0.0006","31.14","0.002","90","","90","","90","","1517.89","0.16","193","","","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 N -","- C24 H15 N -","- C96 H60 N4 -","4","1","","Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen","Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N‒H/C‒H coupling","Organic Chemistry Frontiers","2016","3","11","1520","","10.1039/C6QO00371K","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","235073","2020-10-21","18:00:00",""
"1553502","16.3471","0.0009","11.2916","0.0008","8.0242","0.0004","90","","90","","90","","1481.15","0.15","193","","","","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C22 H13 N S -","- C22 H13 N S -","- C88 H52 N4 S4 -","4","1","","Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen","Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N‒H/C‒H coupling","Organic Chemistry Frontiers","2016","3","11","1520","","10.1039/C6QO00371K","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","235073","2020-10-21","18:00:00",""
"1553503","6.202","0.0005","10.169","0.001","14.7158","0.0018","75.057","0.01","85.343","0.008","84.132","0.007","890.56","0.16","283","10","283","10","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C46 H48 N4 -","2","1","","Liu, Cheng-Guo; Gu, Zheng-Yang; Bai, Hui-Wen; Wang, Shun-Yi; Ji, Shun-Jun","An isocyanide insertion approach to substituted pyrrolo[2,3-b]quinolines under metal-free and azide-free conditions","Organic Chemistry Frontiers","2016","3","10","1299","","10.1039/C6QO00373G","","","0.7107","MoKα","","0.0777","0.0529","","","0.1261","0.1477","","","","","","1.012","","","","has coordinates,has disorder","235075","2020-10-21","18:00:00",""
"1553504","8.9115","0.0007","11.1099","0.0007","11.8272","0.0009","83.858","0.006","86.228","0.006","67.922","0.006","1078.45","0.14","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N2 O4 P -","- C22 H25 N2 O4 P -","- C44 H50 N4 O8 P2 -","2","1","","Sun, Mengmeng; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie","Silver(i)-promoted C5‒H phosphonation of 8-aminoquinoline amides with H-phosphonates","Organic Chemistry Frontiers","2016","3","12","1646","","10.1039/C6QO00379F","","x-ray","0.71073","MoKα","","0.1204","0.0776","","","0.2075","0.2482","","","","","","1.054","","","","has coordinates,has disorder","235076","2020-10-21","18:00:00",""
"1553505","15.3031","0.0006","18.1046","0.0006","15.6855","0.0006","90","","90","","90","","4345.8","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H25 N2 O4 P -","- C22 H25 N2 O4 P -","- C176 H200 N16 O32 P8 -","8","1","","Sun, Mengmeng; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie","Silver(i)-promoted C5‒H phosphonation of 8-aminoquinoline amides with H-phosphonates","Organic Chemistry Frontiers","2016","3","12","1646","","10.1039/C6QO00379F","","x-ray","0.71073","MoKα","","0.1048","0.0608","","","0.1597","0.1898","","","","","","1.022","","","","has coordinates,has disorder","235076","2020-10-21","18:00:00",""
"1553506","8.681","0.007","17.323","0.014","32.77","0.03","90","","90","","90","","4928","7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N2 O2 -","- C31 H27 N2 O2 -","- C248 H216 N16 O16 -","8","2","","Chen, Zhen; Huo, Yuwen; An, Ping; Wang, Xichao; Song, Chun; Ma, Yudao","[2.2]Paracyclophane-based N-heterocyclic carbene as efficient catalyst or as ligand for copper catalyst for asymmetric α-silylation of N-tosylaldimines","Organic Chemistry Frontiers","2016","3","12","1725","","10.1039/C6QO00386A","","","0.71073","MoKα","","0.1149","0.0538","","","0.1064","0.1312","","","","","","0.974","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553507","17.643","0.001","16.144","0.001","6.601","0.001","90","","90","","90","","1880.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","((3'S,3a'R,4'R,5'R)-4',5'-di-tert-butoxytetrahydro-3'H-spiro[cyclopropane-1,2'-pyrrolo[1,2-b]isoxazol]-3'-yl)methanol","","- C17 H31 N O4 -","- C17 H31 N O4 -","- C68 H124 N4 O16 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0652","0.0456","","","0.0939","0.1068","","","","","","1.036","","","","has coordinates","235079","2020-10-21","18:00:00",""
"1553508","6.03","0.001","16.334","0.001","18.224","0.001","90","","90","","90","","1795","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((3'R,3a'R,4'R,5'R)-4',5'-di-tert-butoxytetrahydro-3'H-spiro [cyclopropane-1,2'-pyrrolo[1,2-b]isoxazol]-3'-yl)methanol","","- C17 H31 N O4 -","- C17 H31 N O4 -","- C68 H124 N4 O16 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.041","0.0333","","","0.0786","0.0921","","","","","","1.1","","","","has coordinates","235079","2020-10-21","18:00:00",""
"1553509","10.178","0.001","21.78","0.001","11.615","0.001","90","","90.547","0.001","90","","2574.7","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aS,6R,7S,7aR)-7-(tert-butoxy)tetrahydro-3aH-spiro [1,6-methanopyrano[4,3-c]isoxazole-3,1'-cyclopropane]","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C104 H168 N8 O24 -","8","4","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0535","0.045","","","0.1106","0.117","","","","","","1.064","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553510","6.078","0.0002","10.204","0.0003","19.957","0.0006","90","","90","","90","","1237.73","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aS,7R,8S,8aR)-8-(tert-butoxy)hexahydro-1,7-methanopyrano [4,3-b]pyridin-4(7H)-one","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C52 H84 N4 O12 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0518","0.0401","","","0.09","0.0961","","","","","","1.07","","","","has coordinates","235079","2020-10-21","18:00:00",""
"1553511","7.252","0.001","25.57","0.001","14.465","0.001","90","","100.17","0.002","90","","2640.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,4S,4aR,8aS,11R,12S,12aR,16aS)-4,12-di-tert-butoxydodecahydro-3,5:11,13- dimethanodipyrano[4,3-b:4',3'-h][1,7]diazacyclododecine-8,16(3H,11H)-dione","","- C26 H42 N2 O6 -","- C26 H42 N2 O6 -","- C104 H168 N8 O24 -","4","2","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0632","0.0492","","","0.1151","0.125","","","","","","1.025","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553512","9.1392","0.0002","13.2716","0.0003","13.7699","0.0003","77.608","0.001","76.026","0.001","84.909","0.001","1581.79","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cl2 N O2 -","- C40.999 H30.998 Cl1.998 N O2 -","- C81.998 H61.996 Cl3.996 N2 O4 -","2","1","","Seifert, Sabine; Schmidt, David; Würthner, Frank","A cross-coupling-annulation cascade from peri-dibromonaphthalimide to pseudo-rylene bisimides","Organic Chemistry Frontiers","2016","3","11","1435","","10.1039/C6QO00421K","","","1.54178","CuKα","","0.0802","0.0737","","","0.2179","0.2253","","","","","","1.035","","","","has coordinates,has disorder","235081","2020-10-21","18:00:00",""
"1553513","13.3641","0.0012","15.796","0.0014","14.8901","0.0013","90","","112.839","0.002","90","","2896.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H66 Cl2 N2 O4 -","- C79 H66 Cl2 N2 O4 -","- C158 H132 Cl4 N4 O8 -","2","0.5","","Seifert, Sabine; Schmidt, David; Würthner, Frank","A cross-coupling-annulation cascade from peri-dibromonaphthalimide to pseudo-rylene bisimides","Organic Chemistry Frontiers","2016","3","11","1435","","10.1039/C6QO00421K","","","0.71073","MoKα","","0.0651","0.0494","","","0.1334","0.1459","","","","","","1.035","","","","has coordinates,has disorder","235081","2020-10-21","18:00:00",""
"1553514","9.2961","0.0002","10.1519","0.0002","20.823","0.0005","90","","102.267","0.001","90","","1920.26","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O2 S -","- C24 H20 O2 S -","- C96 H80 O8 S4 -","4","1","","Fu, Rong; Hao, Wen-Juan; Wu, Ya-Nan; Wang, Nan-Nan; Tu, Shu-Jiang; Li, Guigen; Jiang, Bo","Sulfonyl radical-enabled 6-endo-trig cyclization for regiospecific synthesis of unsymmetrical diaryl sulfones","Organic Chemistry Frontiers","2016","3","11","1452","","10.1039/C6QO00422A","","","0.71073","MoKα","","0.0569","0.0445","","","0.1197","0.1306","","","","","","1.028","","","","has coordinates","235083","2020-10-21","18:00:00",""
"1553515","7.0521","0.0006","28.03","0.002","10.4649","0.0008","90","","100.069","0.001","90","","2036.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O2 S -","- C27 H20 O2 S -","- C108 H80 O8 S4 -","4","1","","Fu, Rong; Hao, Wen-Juan; Wu, Ya-Nan; Wang, Nan-Nan; Tu, Shu-Jiang; Li, Guigen; Jiang, Bo","Sulfonyl radical-enabled 6-endo-trig cyclization for regiospecific synthesis of unsymmetrical diaryl sulfones","Organic Chemistry Frontiers","2016","3","11","1452","","10.1039/C6QO00422A","","","0.71073","MoKα","","0.1316","0.0684","","","0.1143","0.1437","","","","","","0.999","","","","has coordinates","235083","2020-10-21","18:00:00",""
"1553516","15.4186","0.0013","11.3388","0.0008","16.9081","0.0014","90","","107.55","0.009","90","","2818.4","0.4","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N O4 S -","- C33 H35 N O4 S -","- C132 H140 N4 O16 S4 -","4","1","","Lv, Leiyang; Bai, Xiaohui; Yan, Xiaoyu; Li, Zhiping","Iron-catalyzed decarbonylation initiated [2 + 2 + m] annulation of benzene-linked 1,n-enynes with aliphatic aldehydes","Organic Chemistry Frontiers","2016","3","11","1509","","10.1039/C6QO00429F","","","0.71073","MoKα","","0.1051","0.0534","","","0.1076","0.1358","","","","","","1.046","","","","has coordinates","235085","2020-10-21","18:00:00",""
"1553517","8.3151","0.0007","8.625","0.0007","18.7838","0.0016","99.74","0.001","96.686","0.001","104.017","0.001","1270.61","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 O5 S -","- C29 H26 N2 O5 S -","- C58 H52 N4 O10 S2 -","2","1","","Sharma, Pankaj; Kumar, Niggula Praveen; Krishna, Namballa Hari; Prasanna, Daasi; Sridhar, Balasubramanian; Shankaraiah, Nagula","Silver(i)-catalysed domino alkyne-annulation/Diels‒Alder reaction: a mild synthetic approach to tetrahydrospiro[carbazole-4,3′-indoline] scaffolds","Organic Chemistry Frontiers","2016","3","11","1503","","10.1039/C6QO00430J","","","0.71073","MoKα","","0.061","0.0494","","","0.1373","0.1503","","","","","","1.016","","","","has coordinates","235087","2020-10-21","18:00:00",""
"1553518","8.849","0.005","10.773","0.006","17.758","0.009","90","","91.599","0.007","90","","1692.2","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 F3 N2 O3 S -","- C14 H17 F3 N2 O3 S -","- C56 H68 F12 N8 O12 S4 -","4","1","","Li, Yuewen; Xiang, Yuanchao; Li, Zhiming; Wu, Jie","Direct vicinal difunctionalization of alkynes through trifluoromethylation and aminosulfonylation via insertion of sulfur dioxide under catalyst-free conditions","Organic Chemistry Frontiers","2016","3","11","1493","","10.1039/C6QO00434B","","","0.71073","MoKα","","0.0939","0.068","","","0.1757","0.1857","","","","","","0.963","","","","has coordinates","235089","2020-10-21","18:00:00",""
"1553528","12.7034","0.0011","11.6077","0.001","28.683","0.005","90","","90","","90","","4229.5","0.9","102.1","","102.1","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H32 O2 Si -","- C22 H32 O2 Si -","- C176 H256 O16 Si8 -","8","1","","Liu, Zhen; Xia, Ying; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Rh(i)-Catalyzed coupling of 2-bromoethyl aryldiazoacetates with tertiary propargyl alcohols through carbene migratory insertion","Organic Chemistry Frontiers","2016","3","12","1691","","10.1039/C6QO00453A","","","0.71073","MoKα","","0.1939","0.1532","","","0.3787","0.4104","","","","","","1.06","","","","has coordinates,has disorder","235099","2020-10-21","18:00:00",""
"1553529","9.3034","0.0001","9.6541","0.0002","11.6687","0.0008","101.875","0.007","106.962","0.008","96.397","0.007","964.39","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Duan, Jindian; Cheng, Yuyu; Li, Rou; Li, Pengfei","Synthesis of spiro[indane-1,3-dione-1-pyrrolines] via copper-catalyzed heteroannulation of ketoxime acetates with 2-arylideneindane-1,3-diones","Organic Chemistry Frontiers","2016","3","12","1614","","10.1039/C6QO00454G","","","1.54187","CuKα","","0.0565","0.0529","","","0.1351","0.1403","","","","","","1.094","","","","has coordinates","235100","2020-10-21","18:00:00",""
"1553532","11.1348","0.0009","10.8734","0.001","24.741","0.002","90","","90","","90","","2995.5","0.4","293.26","0.1","293.26","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","1","","An, Zhenyu; She, Yue; Yang, Xiaodong; Pang, Xiaobo; Yan, Rulong","Metal-free synthesis of 3-methylthiofurans from homopropargylic alcohols and DMSO via a tandem sulfenylation/cyclization reaction in a one-pot manner","Organic Chemistry Frontiers","2016","3","12","1746","","10.1039/C6QO00462H","","x-ray","0.71073","MoKα","","0.2039","0.0674","","","0.1267","0.1889","","","","","","0.926","","","","has coordinates","235104","2020-10-21","18:00:00",""
"1553533","9.2943","0.0019","18.714","0.004","20.557","0.004","90","","95.79","0.03","90","","3557.3","1.3","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O -","- C24 H21 N O -","- C192 H168 N8 O8 -","8","2","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0781","0.07","","","0.1381","0.1456","","","","","","1.038","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553534","11.335","0.002","7.4991","0.0015","37.869","0.008","90","","90","","90","","3219","1.1","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0799","0.0693","","","0.1375","0.1441","","","","","","1.172","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553535","10.641","0.002","10.978","0.002","17.744","0.003","100.04","0.03","106.43","0.03","93.41","0.03","1944.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cl7 N3 Pd -","- C42 H34 Cl7 N3 Pd -","- C84 H68 Cl14 N6 Pd2 -","2","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0811","0.0765","","","0.2212","0.2352","","","","","","1.024","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553536","36.49","0.005","36.49","0.005","21.305","0.004","90","","90","","120","","24567","7","173.15","","173.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H40 Cl N3 Pd -","- C44 H40 Cl N3 Pd -","- C792 H720 Cl18 N54 Pd18 -","18","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0755","0.0652","","","0.2056","0.2162","","","","","","1.072","","","","has coordinates,has disorder","235107","2020-10-21","18:00:00",""
"1553537","11.611","0.002","19.188","0.004","13.466","0.003","90","","113.15","0.03","90","","2758.5","1.1","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 Cl3 N2 O Pd -","- C33 H25 Cl3 N2 O Pd -","- C132 H100 Cl12 N8 O4 Pd4 -","4","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0392","0.0369","","","0.0834","0.085","","","","","","1.107","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553538","14.187","0.003","12.38","0.003","14.674","0.003","90","","92.59","0.03","90","","2574.6","1","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Cl N2 O Pd -","- C34 H27 Cl N2 O Pd -","- C136 H108 Cl4 N8 O4 Pd4 -","4","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0286","0.0281","","","0.0705","0.0708","","","","","","1.085","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553539","11.91","0.002","32.793","0.007","9.4655","0.0019","90","","113.37","0.03","90","","3393.6","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 N3 O0 -","- C40 H33 N3 -","- C160 H132 N12 -","4","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0814","0.0633","","","0.1406","0.151","","","","","","1.047","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553540","12.0255","0.0007","18.091","0.0012","10.1121","0.0007","90","","105.935","0.002","90","","2115.4","0.2","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N2 O6 S2 -","- C50 H50 N2 O6 S2 -","- C100 H100 N4 O12 S4 -","2","0.5","","Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent","Catalytic applications of [IPr·GaX2][SbF6] and related species","Organic Chemistry Frontiers","2016","3","12","1603","","10.1039/C6QO00470A","","x-ray","0.71073","MoKα","","0.0786","0.0468","","","0.1069","0.1223","","","","","","1.023","","","","has coordinates","235110","2020-10-21","18:00:00",""
"1553541","7.6825","0.0003","17.5861","0.0008","22.9639","0.0011","90","","90","","90","","3102.5","0.2","100","1","100","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","","Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent","Catalytic applications of [IPr·GaX2][SbF6] and related species","Organic Chemistry Frontiers","2016","3","12","1603","","10.1039/C6QO00470A","","x-ray","0.71073","MoKα","","0.0669","0.0581","","","0.1538","0.1604","","","","","","1.041","","","","has coordinates","235110","2020-10-21","18:00:00",""
"1553542","6.0149","0.0004","13.4117","0.0009","18.2153","0.0012","90","","91.601","0.002","90","","1468.86","0.17","138","2","138","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F S -","- C20 H13 F S -","- C80 H52 F4 S4 -","4","1","","Wang, Xiaoming; Gensch, Tobias; Glorius, Frank","Highly selective synthesis of 6-substituted benzothiophenes by Sc(OTf)3-catalyzed intermolecular cyclization and sulfur migration","Organic Chemistry Frontiers","2016","3","12","1619","","10.1039/C6QO00477F","","","0.71073","MoKα","","0.0566","0.0397","","","0.08","0.0861","","","","","","1.076","","","","has coordinates","235112","2020-10-21","18:00:00",""
"1553546","16.1503","0.0018","8.3426","0.0009","18.1574","0.0019","90","","108.184","0.002","90","","2324.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O8 -","- C24 H28 O8 -","- C96 H112 O32 -","4","1","","Cao, Tao; Ma, Shengming","Nickel-catalyzed alkyl-zincation and carboxylation of diynes","Organic Chemistry Frontiers","2016","3","12","1711","","10.1039/C6QO00484A","","","0.71073","MoKα","","0.0716","0.057","","","0.1473","0.1612","","","","","","1.032","","","","has coordinates","235120","2020-10-21","18:00:00",""
"1553553","5.828","0.0006","8.2327","0.0008","16.8844","0.0016","90","","98.492","0.003","90","","801.23","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O -","- C19 H17 Cl O -","- C38 H34 Cl2 O2 -","2","1","","Luo, Hongwen; Yu, Yihua; Ma, Shengming","Suzuki coupling for preparation of allenes ‒ ligand effects and chirality transfer","Organic Chemistry Frontiers","2016","3","12","1705","","10.1039/C6QO00489J","","","0.71073","MoKα","","0.0341","0.0314","","","0.0819","0.0839","","","","","","1.033","","","","has coordinates","235125","2020-10-21","18:00:00",""