# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T12:47:41+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'The Journal of organic chemistry') AND volume = 83 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
"4033302","7.2135","0.0003","18.9163","0.0008","7.7262","0.0003","90","","109.331","0.001","90","","994.82","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C46 H50 N2 O10 -","2","1","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0447","0.0391","","","0.0921","0.0953","","","","","","1.088","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033303","12.0215","0.0004","13.0351","0.0005","29.9074","0.0011","90","","90","","90","","4686.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O4 -","- C27 H33 N O4 -","- C216 H264 N8 O32 -","8","2","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0676","0.0547","","","0.1341","0.1467","","","","","","1.128","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033304","12.8117","0.0006","5.5768","0.0003","12.9121","0.0006","90","","103.001","0.002","90","","898.9","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F N O4 -","- C21 H20 F N O4 -","- C42 H40 F2 N2 O8 -","2","1","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0847","0.0455","","","0.076","0.087","","","","","","1.052","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033305","27.9822","0.0005","15.7268","0.0003","30.7786","0.0006","90","","108.175","0.001","90","","12869","0.4","100","2","100.08","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-t-butylPBTz","4-tert-butyl-2,6-bis(triisopropylsilyl)-4H-pyrrolo[2,3-d:5,4-d']bisthiazole","","- C28 H51 N3 S2 Si2 -","- C28 H51 N3 S2 Si2 -","- C448 H816 N48 S32 Si32 -","16","4","","Uzelac, Eric J.; McCausland, Casey B.; Rasmussen, Seth C.","Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-Ring Bithiophenes.","The Journal of organic chemistry","2018","83","2","664","671","10.1021/acs.joc.7b02570","","","1.54178","CuKα","","0.0624","0.0472","","","0.1139","0.1214","","","","","","1.05","","","","has coordinates","227564","2020-10-21","18:00:00",""
"4033306","11.4255","0.0009","11.8733","0.0007","9.826","0.0007","90","","107.618","0.006","90","","1270.46","0.16","296","2","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","4-t-butyl-PBTz","4-Hexyl-4H-pyrrolo[2,3-d:5,4-d']bisthiazole","","- C12 H15 N3 S2 -","- C12 H15 N3 S2 -","- C48 H60 N12 S8 -","4","1","","Uzelac, Eric J.; McCausland, Casey B.; Rasmussen, Seth C.","Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-Ring Bithiophenes.","The Journal of organic chemistry","2018","83","2","664","671","10.1021/acs.joc.7b02570","","","1.54178","CuKα","","0.0616","0.0531","","","0.1368","0.1422","","","","","","1.121","","","","has coordinates","227564","2020-10-21","18:00:00",""
"4033307","14.8601","0.0004","17.8661","0.0005","9.988","0.0004","90","","96.505","0.003","90","","2634.66","0.15","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 N3 S2 Si -","- C27 H38 N3 S2 Si -","- C108 H152 N12 S8 Si4 -","4","1","","Uzelac, Eric J.; McCausland, Casey B.; Rasmussen, Seth C.","Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-Ring Bithiophenes.","The Journal of organic chemistry","2018","83","2","664","671","10.1021/acs.joc.7b02570","","","1.54178","CuKα","","0.0854","0.0514","","","0.1234","0.1391","","","","","","1.038","","","","has coordinates","227564","2020-10-21","18:00:00",""
"4033308","10.6428","0.0006","14.8657","0.0009","13.7911","0.0008","90","","107.109","0.002","90","","2085.4","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 O4 -","- C27 H22 O4 -","- C108 H88 O16 -","4","1","","Giardinetti, Maxime; Marrot, Jérôme; Greck, Christine; Moreau, Xavier; Coeffard, Vincent","Aminocatalyzed Synthesis of Enantioenriched Phenalene Skeletons through a Friedel-Crafts/Cyclization Strategy.","The Journal of organic chemistry","2018","83","2","1019","1025","10.1021/acs.joc.7b02629","","","0.71073","MoKα","","0.0542","0.0434","","","0.1237","0.1374","","","","","","1.074","","","","has coordinates","227555","2020-10-21","18:00:00",""
"4033321","8.853","0.001","19.2845","0.0011","8.0635","0.0008","90","","116.194","0.013","90","","1235.3","0.2","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C48 H44 F12 N8 O4 -","4","1","","Wang, Yuxiang; Wang, Ke-Hu; Su, Yingpeng; Yang, Zheng; Wen, Lan; Liu, Lili; Wang, Juanjuan; Huang, Danfeng; Hu, Yulai","Cascade Oxidation/Halogenoaminocyclization Reaction of Trifluoromethylated Homoallylic N-Acylhydrazines: Metal-free Synthesis of CF<sub>3</sub>-Substituted Pyrazolines.","The Journal of organic chemistry","2018","83","2","939","950","10.1021/acs.joc.7b02934","","x-ray","0.71073","MoKα","","0.1195","0.0637","","","0.1407","0.1843","","","","","","1.042","","","","has coordinates","227558","2020-10-21","18:00:00",""
"4033322","8.741","0.0006","5.5915","0.0004","25.644","0.003","90","","95.471","0.009","90","","1247.65","0.19","295.19","0.1","295.19","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F3 I N2 O2 -","- C10 H8 F3 I N2 O2 -","- C40 H32 F12 I4 N8 O8 -","4","1","","Wang, Yuxiang; Wang, Ke-Hu; Su, Yingpeng; Yang, Zheng; Wen, Lan; Liu, Lili; Wang, Juanjuan; Huang, Danfeng; Hu, Yulai","Cascade Oxidation/Halogenoaminocyclization Reaction of Trifluoromethylated Homoallylic N-Acylhydrazines: Metal-free Synthesis of CF<sub>3</sub>-Substituted Pyrazolines.","The Journal of organic chemistry","2018","83","2","939","950","10.1021/acs.joc.7b02934","","","0.71073","MoKα","","0.0809","0.052","","","0.0891","0.104","","","","","","1.052","","","","has coordinates","227558","2020-10-21","18:00:00",""
"4033323","13.4306","0.0004","15.139","0.0005","17.0352","0.0004","100.24","0.002","110.402","0.003","92.464","0.003","3173.95","0.18","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H74 F12 N4 O16 P2 -","- C60 H74 F12 N4 O16 P2 -","- C120 H148 F24 N8 O32 P4 -","2","1","","Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand Hosts for Paraquats and Diquats.","The Journal of organic chemistry","2018","83","2","823","834","10.1021/acs.joc.7b02812","","x-ray","1.54184","CuKα","","0.1377","0.1165","","","0.3404","0.3822","","","","","","1.48","","","","has coordinates,has disorder","227559","2020-10-21","18:00:00",""
"4033324","10.7404","0.0005","18.6914","0.001","26.8438","0.0014","90","","90","","90","","5389","0.5","218","2","218.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H65 F6 N2 O15 P S -","- C49 H65 F6 N2 O15 P S -","- C196 H260 F24 N8 O60 P4 S4 -","4","1","","Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand Hosts for Paraquats and Diquats.","The Journal of organic chemistry","2018","83","2","823","834","10.1021/acs.joc.7b02812","","","0.71073","MoKα","","0.1818","0.1379","","","0.274","0.2986","","","","","","1.098","","","","has coordinates","227559","2020-10-21","18:00:00",""
"4033325","11.2302","0.0013","9.7297","0.0011","21.768","0.002","90","","97.322","0.009","90","","2359.1","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C46 H58 F6 N2 O17 -","- C46 H58 F6 N2 O17 -","- C92 H116 F12 N4 O34 -","2","1","","Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand Hosts for Paraquats and Diquats.","The Journal of organic chemistry","2018","83","2","823","834","10.1021/acs.joc.7b02812","","x-ray","0.71073","MoKα","","0.0684","0.0503","","","0.0829","0.0906","","","","","","1.053","","","","has coordinates","227559","2020-10-21","18:00:00",""
"4033326","7.4167","0.0003","10.5318","0.0005","13.811","0.0006","99.828","0.002","102.136","0.001","93.865","0.002","1033.21","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","AMUS127","","","- C20 H30 N2 O5 -","- C20 H30 N2 O5 -","- C40 H60 N4 O10 -","2","1","","Music, Arif; Baumann, Andreas N.; Eisold, Michael; Didier, Dorian","Regiodivergent Stereoselective Access to Fused Alkylideneazetidines.","The Journal of organic chemistry","2018","83","2","783","792","10.1021/acs.joc.7b02786","","","0.71073","MoKα","","0.0583","0.0408","","","0.0874","0.0984","","","","","","1.037","","","","has coordinates","227563","2020-10-21","18:00:00",""
"4033327","9.815","0.002","10.37","0.002","19.071","0.004","90","","90","","90","","1941.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O6 S -","- C18 H20 N2 O6 S -","- C72 H80 N8 O24 S4 -","4","1","","Lu, Ning; Fang, Yanhong; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Bifunctional Thiourea-Ammonium Salt Catalysts Derived from Cinchona Alkaloids: Cooperative Phase-Transfer Catalysts in the Enantioselective Aza-Henry Reaction of Ketimines.","The Journal of organic chemistry","2018","83","3","1486","1492","10.1021/acs.joc.7b03078","","","0.71073","MoKα","","0.0782","0.0531","","","0.0957","0.103","","","","","","1.013","","","","has coordinates,has disorder","227613","2020-10-21","18:00:00",""
"4033328","12.3293","0.0006","3.9877","0.0002","26.5458","0.0016","90","","90","","90","","1305.14","0.12","293","2","293","2","","","","","","","Synthesis","4","P c a 21","P 2c -2ac","29","","Unkown","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C68 H44 Cl4 N8 -","4","1","","Sau, Prasenjit; Rakshit, Amitava; Modi, Anju; Behera, Ahalya; Patel, Bhisma K.","Three Sequential C-N Bond Formations: tert-Butyl Nitrite as a N1 Synthon in a Three Component Reaction Leading to Imidazo[1,2-a]quinolines and Imidazo[2,1-a]isoquinolines.","The Journal of organic chemistry","2018","83","2","1056","1064","10.1021/acs.joc.7b02815","","x-ray","0.71073","MoKα","","0.0444","0.0344","","","0.0725","0.0821","","","","","","1.093","","","","has coordinates","227560","2020-10-21","18:00:00",""
"4033329","6.1091","0.0003","9.5133","0.0004","22.6063","0.0009","90","","90","","90","","1313.83","0.1","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Sherwood, Alexander M.; Williamson, Samuel E.; Johnson, Stephanie N.; Yilmaz, Anil; Day, Victor W.; Prisinzano, Thomas E.","Scalable Regioselective and Stereoselective Synthesis of Functionalized (E)-4-Iodobut-3-en-1-ols: Gram-Scale Total Synthesis of Fungal Decanolides and Derivatives.","The Journal of organic chemistry","2018","83","2","980","992","10.1021/acs.joc.7b02324","","","1.54178","CuKα","","0.0692","0.0686","","","0.1811","0.1823","","","","","","1.059","","","","has coordinates","227561","2020-10-21","18:00:00",""
"4033330","31.5874","0.0009","5.4964","0.0001","14.967","0.0004","90","","90.211","0.002","90","","2598.51","0.11","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O3 -","- C15 H17.5 O3 -","- C120 H140 O24 -","8","2","","Sherwood, Alexander M.; Williamson, Samuel E.; Johnson, Stephanie N.; Yilmaz, Anil; Day, Victor W.; Prisinzano, Thomas E.","Scalable Regioselective and Stereoselective Synthesis of Functionalized (E)-4-Iodobut-3-en-1-ols: Gram-Scale Total Synthesis of Fungal Decanolides and Derivatives.","The Journal of organic chemistry","2018","83","2","980","992","10.1021/acs.joc.7b02324","","","1.54178","CuKα","","0.0841","0.0834","","","0.1952","0.1966","","","","","","1.122","","","","has coordinates","227561","2020-10-21","18:00:00",""
"4033331","9.2188","0.0001","10.6982","0.0002","19.9113","0.0003","90","","101.668","0.001","90","","1923.16","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","2","","Qi, Wei-Yan; Zhao, Jin-Xin; Wei, Wen-Jun; Gao, Kun; Yue, Jian-Min","Quorumolides A-C, Three Cembranoids from Euphorbia antiquorum.","The Journal of organic chemistry","2018","83","2","1041","1045","10.1021/acs.joc.7b02684","","","1.54178","CuKα","","0.0407","0.0385","","","0.1024","0.1048","","","","","","1.033","","","","has coordinates","227565","2020-10-21","18:00:00",""
"4033332","6.1442","0.0001","11.1047","0.0001","13.2427","0.0001","90","","91.632","0.001","90","","903.176","0.018","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Qi, Wei-Yan; Zhao, Jin-Xin; Wei, Wen-Jun; Gao, Kun; Yue, Jian-Min","Quorumolides A-C, Three Cembranoids from Euphorbia antiquorum.","The Journal of organic chemistry","2018","83","2","1041","1045","10.1021/acs.joc.7b02684","","","1.54178","CuKα","","0.0346","0.0339","","","0.09","0.0907","","","","","","1.064","","","","has coordinates","227565","2020-10-21","18:00:00",""
"4033333","12.6869","0.0003","37.5546","0.0012","11.2665","0.0003","90","","104.367","0.002","90","","5200.1","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C58 H50 Cl6 N2 O6 -","- C58 H50 Cl6 N2 O6 -","- C232 H200 Cl24 N8 O24 -","4","1","","Takahashi, Masaki; Asaba, Kyohei; Lua, Trinh Thi; Inuzuka, Toshiyasu; Uemura, Naohiro; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Controllable Monobromination of Perylene Ring System: Synthesis of Bay-Functionalized Perylene Dyes.","The Journal of organic chemistry","2018","83","2","624","631","10.1021/acs.joc.7b02540","","","1.54178","CuKα","","0.0981","0.0947","","","0.2709","0.2773","","","","","","1.323","","","","has coordinates,has disorder","227556","2020-10-21","18:00:00",""
"4033334","13.6507","0.0004","8.6189","0.0003","17.2043","0.0012","90","","106.742","0.007","90","","1938.35","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 -","- C25 H28 N2 -","- C100 H112 N8 -","4","1","","Gobé, Valérian; Dousset, Maxime; Retailleau, Pascal; Gandon, Vincent; Guinchard, Xavier","Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl Tetrahydro-β-carbolines to Allenes.","The Journal of organic chemistry","2018","83","2","898","912","10.1021/acs.joc.7b02900","","","1.54187","CuKα","","0.0616","0.0448","","","0.1281","0.1471","","","","","","1.205","","","","has coordinates","227566","2020-10-21","18:00:00",""
"4033335","6.9339","0.0004","16.3197","0.001","17.014","0.0012","90","","90","","90","","1925.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Gobé, Valérian; Dousset, Maxime; Retailleau, Pascal; Gandon, Vincent; Guinchard, Xavier","Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl Tetrahydro-β-carbolines to Allenes.","The Journal of organic chemistry","2018","83","2","898","912","10.1021/acs.joc.7b02900","","","1.54187","CuKα","","0.0566","0.035","","","0.0832","0.1078","","","","","","1.127","","","","has coordinates","227566","2020-10-21","18:00:00",""
"4033336","11.863","0.0008","13.9407","0.001","20.039","0.0014","90","","93.379","0.004","90","","3308.3","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C160 H192 N16 O8 -","8","2","","Gobé, Valérian; Dousset, Maxime; Retailleau, Pascal; Gandon, Vincent; Guinchard, Xavier","Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl Tetrahydro-β-carbolines to Allenes.","The Journal of organic chemistry","2018","83","2","898","912","10.1021/acs.joc.7b02900","","","0.71075","MoKα","","0.0809","0.0479","","","0.1006","0.1194","","","","","","1.067","","","","has coordinates","227566","2020-10-21","18:00:00",""
"4033337","14.5912","0.0007","8.463","0.0004","14.9815","0.0009","90","","103.38","0.005","90","","1799.78","0.17","290.84","0.1","290.84","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.0858","0.0564","","","0.1279","0.1507","","","","","","1.038","","","","has coordinates","227552","2020-10-21","18:00:00",""
"4033338","10.3697","0.0019","8.9","0.002","40.651","0.007","90","","94.374","0.018","90","","3740.8","1.3","289.48","0.1","289.48","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br N O4 -","- C18 H22 Br N O4 -","- C144 H176 Br8 N8 O32 -","8","2","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.2069","0.068","","","0.1175","0.1753","","","","","","0.956","","","","has coordinates","227552","2020-10-21","18:00:00",""
"4033339","16.8558","0.0011","8.0593","0.0005","29.356","0.002","90","","105.478","0.007","90","","3843.3","0.5","289.23","0.13","289.23","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.1125","0.0643","","","0.1273","0.1527","","","","","","1.069","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033340","8.5277","0.0006","28.377","0.002","8.7497","0.0006","90","","108.934","0.007","90","","2002.8","0.3","294.89","0.1","294.89","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.0891","0.0588","","","0.1314","0.1519","","","","","","1.049","","","","has coordinates","227552","2020-10-21","18:00:00",""
"4033341","12.9678","0.0015","8.4769","0.001","16.4475","0.0019","90","","98.602","0.004","90","","1787.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Br N O3 -","- C19 H20 Br N O3 -","- C76 H80 Br4 N4 O12 -","4","1","","Chaudhari, Moreshwar B.; Moorthy, Suresh; Patil, Sohan; Bisht, Girish Singh; Mohamed, Haneef; Basu, Sudipta; Gnanaprakasam, Boopathy","Iron-Catalyzed Batch/Continuous Flow C-H Functionalization Module for the Synthesis of Anticancer Peroxides.","The Journal of organic chemistry","2018","83","3","1358","1368","10.1021/acs.joc.7b02854","","","0.71073","MoKα","","0.061","0.0364","","","0.0733","0.0808","","","","","","1.027","","","","has coordinates","227608","2020-10-21","18:00:00",""
"4033342","10.5837","0.0013","10.5837","0.0013","52.904","0.003","90","","90","","90","","5926","1.1","103","","103","","","","","","","","Extracted from the bark of Laetia corymbulosa","3","P 43 21 2","P 4nw 2abw","96","","18,19-di-O-acetyl-18,19-epoxy-6-hydroxy-2-(2?-methylbutanoyloxy)cleroda-3,13(16),14-triene","","- C29 H42 O8 -","- C29 H42 O8 -","- C232 H336 O64 -","8","1","","Aimaiti, Simayijiang; Suzuki, Airi; Saito, Yohei; Fukuyoshi, Shuichi; Goto, Masuo; Miyake, Katsunori; Newman, David J.; O'Keefe, Barry R; Lee, Kuo-Hsiung; Nakagawa-Goto, Kyoko","Corymbulosins I-W, Cytotoxic Clerodane Diterpenes from the Bark of Laetia corymbulosa.","The Journal of organic chemistry","2018","83","2","951","963","10.1021/acs.joc.7b02951","","x-ray","0.71075","MoKα","","0.0771","0.0617","","","0.1689","0.1827","","","","","","1.044","","","","has coordinates","227553","2020-10-21","18:00:00",""
"4033343","8.509","0.007","9.549","0.008","13.264","0.011","76.7","0.05","71.35","0.05","68.51","0.05","942.3","1.4","100","2","99.98","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H36 Cl1.64 -","- C50 H36 Cl1.638 -","- C50 H36 Cl1.638 -","1","0.5","","Grenz, David C.; Schmidt, Maximilian; Kratzert, Daniel; Esser, Birgit","Dibenzo[a,e]pentalenes with Low-Lying LUMO Energy Levels as Potential n-Type Materials.","The Journal of organic chemistry","2018","83","2","656","663","10.1021/acs.joc.7b02250","","x-ray","0.71073","MoKα","","0.0801","0.0536","","","0.129","0.1403","","","","","","1.032","","","","has coordinates","227557","2020-10-21","18:00:00",""
"4033344","9.3211","0.0014","10.6406","0.0014","29.994","0.004","90","","90","","90","","2974.9","0.7","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 F3 O6 S -","- C30 H29 F3 O6 S -","- C120 H116 F12 O24 S4 -","4","1","","Ha, Min Woo; Lee, Jun Young; Kim, Doyoung; Lee, Geumwoo; Lee, Jae Kyun; Hong, Suckchang; Park, Hyeung-Geun","Enantioselective Synthesis of Chiral α-Thio-Quaternary Stereogenic Centers via Phase-Transfer-Catalyzed α-Alkylation of α-Acylthiomalonates.","The Journal of organic chemistry","2018","83","2","1011","1018","10.1021/acs.joc.7b02605","","","0.71075","MoKα","","","0.0548","","","","0.1306","","","","","","1.023","","","","has coordinates","227562","2020-10-21","18:00:00",""
"4033346","6.2637","0.0003","7.166","0.0004","29.5658","0.0013","90","","90","","90","","1327.08","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl N3 O -","- C14 H14 Cl N3 O -","- C56 H56 Cl4 N12 O4 -","4","1","","Bhagat, Ujjawal Kumar; Peddinti, Rama Krishna","Asymmetric Organocatalytic Approach to 2,4-Disubstituted 1,2,3-Triazoles by N2-Selective Aza-Michael Addition.","The Journal of organic chemistry","2018","83","2","793","804","10.1021/acs.joc.7b02793","","","0.71073","MoKα","","0.058","0.0446","","","0.1056","0.112","","","","","","1.029","","","","has coordinates","227567","2020-10-21","18:00:00",""
"4033347","16.6532","0.0003","21.5744","0.0004","6.152","0.0001","90","","90","","90","","2210.31","0.07","301","2","301.02","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H24 F N O -","- C28 H24 F N O -","- C112 H96 F4 N4 O4 -","4","1","","Li, Lin-Zhi; Wang, Cong-Shuai; Guo, Wei-Feng; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric [4+2] Cycloaddition of in Situ Generated o-Quinone Methide Imines with o-Hydroxystyrenes: Diastereo- and Enantioselective Construction of Tetrahydroquinoline Frameworks.","The Journal of organic chemistry","2018","83","2","614","623","10.1021/acs.joc.7b02533","","","1.54178","CuKα","","0.0441","0.0409","","","0.1044","0.1088","","","","","","1.052","","","","has coordinates","227569","2020-10-21","18:00:00",""
"4033348","11.4286","0.0002","15.351","0.0003","11.4973","0.0002","90","","91.214","0.001","90","","2016.64","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","","Kreibich, Michael; Petrović, Denis; Brückner, Reinhard","Mechanistic Studies of the Deslongchamps Annulation.","The Journal of organic chemistry","2018","83","3","1116","1133","10.1021/acs.joc.7b02341","","","0.71073","MoKα","","0.0834","0.0585","","","0.1293","0.1453","","","","","","1.043","","","","has coordinates","227607","2020-10-21","18:00:00",""
"4033349","9.4636","0.0001","9.3031","0.0001","12.0391","0.0002","90","","112.321","0.001","90","","980.51","0.02","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H26 O7 -","- C20 H26 O7 -","- C40 H52 O14 -","2","1","","Kreibich, Michael; Petrović, Denis; Brückner, Reinhard","Mechanistic Studies of the Deslongchamps Annulation.","The Journal of organic chemistry","2018","83","3","1116","1133","10.1021/acs.joc.7b02341","","","0.71073","MoKα","","0.0487","0.0436","","","0.1102","0.1128","","","","","","1.068","","","","has coordinates","227607","2020-10-21","18:00:00",""
"4033350","11.5191","0.0001","12.9907","0.0002","15.3601","0.0002","90","","95.0515","0.0006","90","","2289.58","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C100 H112 O28 -","4","1","","Kreibich, Michael; Petrović, Denis; Brückner, Reinhard","Mechanistic Studies of the Deslongchamps Annulation.","The Journal of organic chemistry","2018","83","3","1116","1133","10.1021/acs.joc.7b02341","","","0.71073","MoKα","","0.0635","0.0509","","","0.1396","0.1484","","","","","","1.045","","","","has coordinates","227607","2020-10-21","18:00:00",""
"4033351","6.1668","0.0003","20.6407","0.001","13.3138","0.0007","90","","97.77","0.002","90","","1679.12","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O7 S -","- C15 H19 N O7 S -","- C60 H76 N4 O28 S4 -","4","1","","Han, Teng; Wang, Yu; Li, Hong-Liang; Luo, Xiaoyan; Deng, Wei-Ping","Synthesis of Polysubstituted 3-Aminothiophenes from Thioamides and Allenes via Tandem Thio-Michael Addition/Oxidative Annulation and 1,2-Sulfur Migration.","The Journal of organic chemistry","2018","83","3","1538","1542","10.1021/acs.joc.7b02616","","","0.71073","MoKα","","0.0704","0.0516","","","0.1262","0.1398","","","","","","1.067","","","","has coordinates","227611","2020-10-21","18:00:00",""
"4033360","11.7312","0.0003","13.2225","0.0004","14.0726","0.0004","90","","98.412","0.001","90","","2159.4","0.11","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl2 N2 O3 -","- C25 H20 Cl2 N2 O3 -","- C100 H80 Cl8 N8 O12 -","4","1","","Feng, Chengjie; Li, Yifei; Xu, Qi; Pan, Ling; Liu, Qun; Xu, Xianxiu","Triple Nucleophilic Attack of Nitromethane on (2-Iminoaryl)divinyl Ketones: A Domino Synthetic Strategy for Hexahydrophenanthridinones.","The Journal of organic chemistry","2018","83","3","1232","1240","10.1021/acs.joc.7b02759","","","0.71073","MoKα","","0.0623","0.0474","","","0.1147","0.126","","","","","","1.021","","","","has coordinates","227612","2020-10-21","18:00:00",""
"4033361","9.8527","0.0003","13.2507","0.0004","13.5893","0.0005","90","","106.832","0.004","90","","1698.14","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 F3 I N O3 -","- C16 H17 F3 I N O3 -","- C64 H68 F12 I4 N4 O12 -","4","1","","Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Denisenko, Aleksandr; Zozulya, Sergey; Borysko, Petro O.; Sokolenko, Maria I.; Tarasov, Alexandr; Mykhailiuk, Pavel K.","Photochemical Synthesis of 2-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery. Synthesis of 2,3-Ethanoproline.","The Journal of organic chemistry","2018","83","3","1394","1401","10.1021/acs.joc.7b02910","","","0.71073","MoKα","","0.068","0.0515","","","0.1433","0.1559","","","","","","1.098","","","","has coordinates","227616","2020-10-21","18:00:00",""
"4033362","7.3724","0.0015","7.3724","0.0015","20.222","0.007","90","","90","","90","","1099.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl N S -","- C10 H14 Cl N S -","- C40 H56 Cl4 N4 S4 -","4","1","","Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Denisenko, Aleksandr; Zozulya, Sergey; Borysko, Petro O.; Sokolenko, Maria I.; Tarasov, Alexandr; Mykhailiuk, Pavel K.","Photochemical Synthesis of 2-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery. Synthesis of 2,3-Ethanoproline.","The Journal of organic chemistry","2018","83","3","1394","1401","10.1021/acs.joc.7b02910","","","0.71073","MoKα","","0.1598","0.0638","","","0.1145","0.1465","","","","","","0.821","","","","has coordinates,has disorder","227616","2020-10-21","18:00:00",""
"4033363","11.1849","0.0004","7.5306","0.0003","13.9062","0.0006","90","","107.21","0.004","90","","1118.86","0.08","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N -","- C12 H16 Cl N -","- C48 H64 Cl4 N4 -","4","1","","Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Denisenko, Aleksandr; Zozulya, Sergey; Borysko, Petro O.; Sokolenko, Maria I.; Tarasov, Alexandr; Mykhailiuk, Pavel K.","Photochemical Synthesis of 2-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery. Synthesis of 2,3-Ethanoproline.","The Journal of organic chemistry","2018","83","3","1394","1401","10.1021/acs.joc.7b02910","","","0.71073","MoKα","","0.0596","0.0426","","","0.1104","0.1287","","","","","","1.145","","","","has coordinates","227616","2020-10-21","18:00:00",""
"4033364","5.5875","0.0007","10.408","0.0014","20.927","0.003","90","","90","","90","","1217","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 B F N O2 -","- C15 H11 B F N O2 -","- C60 H44 B4 F4 N4 O8 -","4","1","","Zhang, Sutao; Han, Yuxi; He, Jianghua; Zhang, Yuetao","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Catalyzed C3-Selective C-H Borylation of Indoles: Synthesis, Intermediates, and Reaction Mechanism.","The Journal of organic chemistry","2018","83","3","1377","1386","10.1021/acs.joc.7b02886","","","0.71073","MoKα","","0.0769","0.0489","","","0.0883","0.0965","","","","","","1.026","","","","has coordinates","227618","2020-10-21","18:00:00",""
"4033365","8.93629","0.00017","9.87328","0.00019","12.3144","0.0002","78.986","0.006","84.693","0.006","84.898","0.006","1059.09","0.04","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C48 H50 N2 O10 -","2","1","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0407","0.0374","","","0.0961","0.0982","","","","","","1.039","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033366","9.87309","0.00018","22.3816","0.0004","19.1033","0.0004","90","","101.571","0.007","90","","4135.57","0.17","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C192 H176 N16 O24 S8 -","8","2","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0526","0.043","","","0.1013","0.1058","","","","","","1.044","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033367","15.9811","0.0003","5.46871","0.00012","18.4598","0.0004","90","","99.761","0.007","90","","1589.96","0.07","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","1","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0525","0.0493","","","0.1233","0.1252","","","","","","1.111","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033368","10.726","0.0002","17.103","0.0003","17.9943","0.0003","69.762","0.005","72.864","0.005","75.943","0.005","2922.91","0.15","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","4","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0702","0.0517","","","0.1329","0.1433","","","","","","1.027","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033369","11.9912","0.0004","15.1577","0.0004","18.4186","0.0004","85.439","0.002","72.928","0.002","67.853","0.003","2962.28","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H50 N2 S4 -","- C68 H50 N2 S4 -","- C136 H100 N4 S8 -","2","1","","Kumar, Sunit; Rajeswara Rao, Malakalapalli; Ravikanth, Mangalampalli","Stable Core-Modified Doubly N-Fused Expanded Dibenziporphyrinoids.","The Journal of organic chemistry","2018","83","3","1584","1590","10.1021/acs.joc.7b02851","","x-ray","0.71073","MoKα","","0.0925","0.0738","","","0.2256","0.2557","","","","","","1.087","","","","has coordinates","227622","2020-10-21","18:00:00",""
"4033370","12.7437","0.0007","13.6334","0.0006","17.2038","0.001","110.13","0.005","95.529","0.005","96.18","0.004","2761.5","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H46 N2 S4 -","- C68 H46 N2 S4 -","- C136 H92 N4 S8 -","2","1","","Kumar, Sunit; Rajeswara Rao, Malakalapalli; Ravikanth, Mangalampalli","Stable Core-Modified Doubly N-Fused Expanded Dibenziporphyrinoids.","The Journal of organic chemistry","2018","83","3","1584","1590","10.1021/acs.joc.7b02851","","x-ray","1.54184","CuKα","","0.1025","0.0766","","","0.199","0.2306","","","","","","1.049","","","","has coordinates","227622","2020-10-21","18:00:00",""
"4033371","7.451","0.0015","10.958","0.002","15.857","0.005","90","","99.33","0.03","90","","1277.6","0.5","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 Br O4 Si -","- C25 H30 Br O4 Si -","- C50 H60 Br2 O8 Si2 -","2","1","","Han, Man-Yi; Luan, Wen-Yu; Mai, Pei-Lin; Li, Pinhua; Wang, Lei","Organocatalytic Asymmetric Vinylogous Aldol Reaction of Allyl Aryl Ketones to Silyl Glyoxylates.","The Journal of organic chemistry","2018","83","3","1518","1524","10.1021/acs.joc.7b02546","","","0.71073","MoKα","","0.0973","0.0439","","","0.0781","0.0931","","","","","","1.018","","","","has coordinates","227626","2020-10-21","18:00:00",""
"4033372","9.5218","0.0005","11.0694","0.0006","11.599","0.0006","90","","90","","90","","1222.54","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C44 H60 N4 O24 -","4","1","","González, Marcos A; Estévez, Amalia M; Campos, María; Estévez, Juan C; Estévez, Ramón J","Protocol for the Incorporation of γ-Amino Acids into Peptides: Application to (-)-Shikimic Acid Based 2-Amino-Methylcyclohexanecarboxylic Acids.","The Journal of organic chemistry","2018","83","3","1543","1550","10.1021/acs.joc.7b02671","","x-ray","0.7107","MoKα","","0.0439","0.0367","","","0.1055","0.1159","","","","","","0.643","","","","has coordinates","227609","2020-10-21","18:00:00",""
"4033373","8.6117","0.0004","8.6517","0.0004","18.1435","0.0009","90","","90","","90","","1351.8","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C48 H76 N4 O28 -","4","1","","González, Marcos A; Estévez, Amalia M; Campos, María; Estévez, Juan C; Estévez, Ramón J","Protocol for the Incorporation of γ-Amino Acids into Peptides: Application to (-)-Shikimic Acid Based 2-Amino-Methylcyclohexanecarboxylic Acids.","The Journal of organic chemistry","2018","83","3","1543","1550","10.1021/acs.joc.7b02671","","x-ray","0.7107","MoKα","","0.0401","0.0316","","","0.0743","0.0773","","","","","","1.066","","","","has coordinates","227609","2020-10-21","18:00:00",""
"4033374","4.798","0.0008","5.6534","0.0011","19.038","0.003","90","","90","","90","","516.41","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H3 Cl N2 O -","- C4 H3 Cl N2 O -","- C16 H12 Cl4 N8 O4 -","4","1","","Frei, Przemyslaw; Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Johnston, Blair F.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Reaction of Heterocyclic N-Oxides, an Acyl Chloride, and Cyclic Thioethers.","The Journal of organic chemistry","2018","83","3","1510","1517","10.1021/acs.joc.7b02457","","","0.71073","MoKα","","0.0321","0.0294","","","0.0672","0.0703","","","","","","1.076","","","","has coordinates","227606","2020-10-21","18:00:00",""
"4033375","7.5222","0.0004","11.809","0.0005","12.1927","0.0008","110.612","0.005","93.489","0.004","108.376","0.004","943.88","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H21 B F2 N4 O S -","- C20 H21 B F2 N4 O S -","- C40 H42 B2 F4 N8 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","1.5418","CuKα","","0.0519","0.0479","","","0.1321","0.135","","","","","","1.015","","","","has coordinates","227617","2020-10-21","18:00:00",""
"4033376","7.0645","0.0003","21.7182","0.0008","12.3999","0.0005","90","","99.231","0.004","90","","1877.86","0.13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B Cl2 F2 N3 O3 S -","- C16 H18 B Cl2 F2 N3 O3 S -","- C64 H72 B4 Cl8 F8 N12 O12 S4 -","4","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","1.54184","CuKα","","0.1419","0.1373","","","0.4048","0.4125","","","","","","1.998","","","","has coordinates,has disorder","227617","2020-10-21","18:00:00",""
"4033377","14.401","0.002","11.8913","0.0016","7.4972","0.0009","90","","100.997","0.014","90","","1260.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B F2 N3 O S -","- C9 H7 B F2 N3 O S -","- C36 H28 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","1.54184","CuKα","","0.3326","0.3209","","","0.7044","0.7156","","","","","","3.524","","","","has coordinates,has disorder","227617","2020-10-21","18:00:00",""
"4033378","8.3172","0.0005","8.4816","0.0005","13.2812","0.0007","81.18","0.004","73.554","0.005","72.89","0.005","856.29","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 B F2 N3 O S -","- C18 H16 B F2 N3 O S -","- C36 H32 B2 F4 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","0.71073","MoKα","","0.0426","0.0359","","","0.0895","0.0939","","","","","","1.043","","","","has coordinates","227617","2020-10-21","18:00:00",""
"4033379","5.9352","0.0002","23.5259","0.0008","12.1916","0.0004","90","","92.872","0.002","90","","1700.19","0.1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br N O2 S -","- C19 H16 Br N O2 S -","- C76 H64 Br4 N4 O8 S4 -","4","1","","Maiti, Saikat; Mal, Prasenjit","Soft-Hard Acid/Base-Controlled, Oxidative, N-Selective Arylation of Sulfonanilides via a Nitrenium Ion.","The Journal of organic chemistry","2018","83","3","1340","1347","10.1021/acs.joc.7b02841","","","0.71073","MoKα","","0.0444","0.0329","","","0.0787","0.0834","","","","","","1.04","","","","has coordinates","227634","2020-10-21","18:00:00",""
"4033380","12.9992","0.0018","7.6753","0.0011","14.812","0.002","90","","106.361","0.003","90","","1418","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H28 O4 S2 -","- C34 H28 O4 S2 -","- C68 H56 O8 S4 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0754","0.055","","","0.1143","0.1242","","","","","","1.052","","","","has coordinates,has disorder","227604","2020-10-21","18:00:00",""
"4033381","13.8138","0.0014","10.2034","0.001","17.2024","0.0018","90","","91.6","0.002","90","","2423.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Br2 O4 -","- C26 H22 Br2 O4 -","- C104 H88 Br8 O16 -","4","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0798","0.0409","","","0.0848","0.1015","","","","","","1.032","","","","has coordinates","227604","2020-10-21","18:00:00",""
"4033382","9.3284","0.0012","9.7566","0.0012","11.8026","0.0015","74.214","0.002","73.175","0.002","79.296","0.002","982.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Br N O2 S -","- C22 H16 Br N O2 S -","- C44 H32 Br2 N2 O4 S2 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0569","0.0361","","","0.0813","0.0915","","","","","","1.021","","","","has coordinates,has disorder","227604","2020-10-21","18:00:00",""
"4033383","9.7897","0.0012","11.1406","0.0014","13.5075","0.0017","106.467","0.002","92.086","0.002","95.017","0.002","1404.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H28 O4 -","- C36 H28 O4 -","- C72 H56 O8 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0602","0.0389","","","0.1003","0.1174","","","","","","1","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033384","6.6837","0.0018","16.25","0.005","16.626","0.004","97.272","0.005","95.356","0.006","100.408","0.005","1749.2","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 O9 S -","- C33 H34 O9 S -","- C66 H68 O18 S2 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.1191","0.0641","","","0.1634","0.1871","","","","","","1.086","","","","has coordinates,has disorder","227604","2020-10-21","18:00:00",""
"4033385","8.121","0.0003","8.6165","0.0004","10.0149","0.0004","81.117","0.004","89.625","0.003","79.854","0.004","681.4","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C34 H32 N4 -","2","1","","Nosood, Yazdanbakhsh L.; Ziyaei Halimehjani, Azim; González, Florenci V","Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines.","The Journal of organic chemistry","2018","83","3","1252","1258","10.1021/acs.joc.7b02795","","","1.54184","CuKα","","0.049","0.0441","","","0.1209","0.1279","","","","","","1.039","","","","has coordinates","227614","2020-10-21","18:00:00",""
"4033386","8.07903","0.00012","9.7385","0.0003","10.0265","0.0003","118.285","0.003","93.0114","0.0017","90.1807","0.0017","693.36","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C32 H26 N6 O4 -","2","1","","Nosood, Yazdanbakhsh L.; Ziyaei Halimehjani, Azim; González, Florenci V","Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines.","The Journal of organic chemistry","2018","83","3","1252","1258","10.1021/acs.joc.7b02795","","","1.54184","CuKα","","0.0472","0.0449","","","0.1256","0.1294","","","","","","1.059","","","","has coordinates","227614","2020-10-21","18:00:00",""
"4033387","14.00669","0.00015","7.22338","0.00007","17.8197","0.00018","90","","107.809","0.0011","90","","1716.53","0.03","199.95","0.1","199.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl2 N3 O2 -","- C16 H19 Cl2 N3 O2 -","- C64 H76 Cl8 N12 O8 -","4","1","","Nosood, Yazdanbakhsh L.; Ziyaei Halimehjani, Azim; González, Florenci V","Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines.","The Journal of organic chemistry","2018","83","3","1252","1258","10.1021/acs.joc.7b02795","","","1.54184","CuKα","","0.0543","0.0525","","","0.1552","0.1581","","","","","","1.038","","","","has coordinates","227614","2020-10-21","18:00:00",""
"4033388","7.8941","0.0005","8.2666","0.0005","11.9759","0.0008","85.227","0.002","77.959","0.002","78.541","0.002","748.37","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3S,3'S)-3-fluoro-3'-hydroxy-1,1'-dimethyl-[3,3'-biindoline]-2,2'-dione","","- C18 H15 F N2 O3 -","- C18 H15 F N2 O3 -","- C36 H30 F2 N4 O6 -","2","1","","Moskowitz, Max; Balaraman, Kaluvu; Wolf, Christian","Organocatalytic Stereoselective Synthesis of Fluorinated 3,3'-Linked Bisoxindoles.","The Journal of organic chemistry","2018","83","3","1661","1666","10.1021/acs.joc.7b03084","","x-ray","0.71073","MoKα","","0.0511","0.0411","","","0.147","0.1561","","","","","","1.274","","","","has coordinates","227615","2020-10-21","18:00:00",""
"4033389","13.3482","0.0016","13.659","0.0012","29.429","0.003","90","","90.949","0.011","90","","5364.8","1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H66 N6 O3 S3 -","- C45 H54 N6 S3 -","- C180 H216 N24 S12 -","4","2","","Prusinowska, Natalia; Szymkowiak, Joanna; Kwit, Marcin","Enantiopure Tertiary Urea and Thiourea Derivatives of Trianglamine Macrocycle: Structural Studies and Metallogeling Properties.","The Journal of organic chemistry","2018","83","3","1167","1175","10.1021/acs.joc.7b02600","","","0.71073","MoKα","","0.1204","0.0961","","","0.2243","0.2389","","","","","","1.083","","","","has coordinates","227630","2020-10-21","18:00:00",""
"4033390","6.464","0.0007","13.667","0.002","20.093","0.003","90","","90","","90","","1775.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 O2 P S -","- C22 H15 O2 P S -","- C88 H60 O8 P4 S4 -","4","1","","Zhang, Xinghua; Wang, Dungai; An, Duo; Han, Boshi; Song, Xiang; Li, Liang; Zhang, Gaoqi; Wang, Lixian","Cu(II)/Proline-Catalyzed Reductive Coupling of Sulfuryl Chloride and P(O)-H for P-S-C Bond Formation.","The Journal of organic chemistry","2018","83","3","1532","1537","10.1021/acs.joc.7b02608","","","0.71073","MoKα","","0.1255","0.0678","","","0.1486","0.1886","","","","","","0.854","","","","has coordinates","227624","2020-10-21","18:00:00",""
"4033391","11.4107","0.0002","25.3076","0.0005","16.8452","0.0002","90","","91.88","0.001","90","","4861.9","0.14","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 I N11 O6 -","- C48 H58 I N11 O6 -","- C192 H232 I4 N44 O24 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0462","0.0365","","","0.0902","0.0956","","","","","","1.029","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033392","11.713","0.003","12.688","0.004","21.381","0.006","100.163","0.004","92.151","0.005","96.439","0.005","3102.6","1.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C118 H156 N22 O23 S6 -","- C118 H156 N22 O23 S6 -","- C118 H156 N22 O23 S6 -","1","0.5","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.1027","0.0862","","","0.2086","0.2203","","","","","","1.145","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033393","11.457","0.002","25.191","0.004","17.26","0.003","90","","93.295","0.002","90","","4973.2","1.5","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Cl N11 O10 -","- C48 H58 Cl N11 O10 -","- C192 H232 Cl4 N44 O40 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0836","0.0724","","","0.1651","0.1729","","","","","","1.13","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033394","10.8041","0.0003","10.8766","0.0003","13.6547","0.0003","99.39","0.002","98.697","0.002","97.182","0.002","1546.34","0.07","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N9 O3.5 S3 -","- C32 H24 N9 O3.5 S3 -","- C64 H48 N18 O7 S6 -","2","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0476","0.0401","","","0.0996","0.1061","","","","","","1.037","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033395","11.2331","0.0017","25.605","0.004","16.613","0.002","90","","90.118","0.003","90","","4778.3","1.2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Br N11 O6 -","- C48 H58 Br N11 O6 -","- C192 H232 Br4 N44 O24 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0847","0.0696","","","0.1514","0.1602","","","","","","1.135","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033396","10.748","0.002","10.876","0.002","12.884","0.003","114.14","0.03","95.19","0.03","99.31","0.03","1335.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H62 B2 F8 N12 O6 -","- C48 H62 B2 F8 N12 O6 -","- C48 H62 B2 F8 N12 O6 -","1","0.5","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0554","0.0501","","","0.1173","0.1214","","","","","","1.079","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033397","13.1038","0.0008","13.0388","0.0007","14.9738","0.0008","90","","92.849","0.005","90","","2555.2","0.2","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H31.69 N7 O6.34 -","- C24 H31.688 N7 O6.344 -","- C96 H126.752 N28 O25.376 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.15","0.0759","","","0.1926","0.2308","","","","","","1.018","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033398","11.209","0.003","25.782","0.007","17.261","0.005","90","","92.59","0.005","90","","4983","2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H58 N12 O6 S -","- C49 H58 N12 O6 S -","- C196 H232 N48 O24 S4 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.1039","0.0929","","","0.2148","0.2214","","","","","","1.209","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033399","12.2074","0.0007","15.747","0.0008","10.7007","0.0006","90","","110.957","0.007","90","","1920.9","0.2","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N12 O8 -","- C38 H36 N12 O8 -","- C76 H72 N24 O16 -","2","0.5","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.107","0.0591","","","0.1326","0.1563","","","","","","1.022","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033402","6.3017","0.0003","11.7387","0.0005","14.4","0.0006","90","","90","","90","","1065.22","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Krout, Michael R.; Henry, Christopher E.; Jensen, Thomas; Wu, Kun-Liang; Virgil, Scott C.; Stoltz, Brian M.","Wolff/Cope Approach to the AB Ring of the Sesterterpenoid Variecolin.","The Journal of organic chemistry","2018","83","13","6995","7009","10.1021/acs.joc.7b02972","","","0.71073","MoKα","","0.0301","0.0286","","","0.074","0.0744","","","","","","1.899","","","","has coordinates","227583","2020-10-21","18:00:00",""
"4033403","6.5854","0.0002","16.3469","0.0005","17.4873","0.0004","90","","90","","90","","1882.52","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0373","0.0319","","","0.0713","0.0746","","","","","","1.036","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4033404","19.6068","0.0004","11.6765","0.0003","19.545","0.0004","90","","90","","90","","4474.61","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C43 H56 Cl2 N6 O10 -","- C43 H56 Cl2 N6 O10 -","- C172 H224 Cl8 N24 O40 -","4","0.5","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0573","0.0417","","","0.0989","0.1099","","","","","","1.032","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4033405","10.826","0.0004","10.8361","0.0004","18.793","0.0006","90","","90","","90","","2204.64","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O5 -","- C22 H29 N3 O5 -","- C88 H116 N12 O20 -","4","1","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0745","0.0421","","","0.0886","0.1017","","","","","","1.089","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4033406","4.9774","0.0002","12.0515","0.0005","15.8253","0.0007","90","","90","","90","","949.28","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ilie109","","","- C10 H9 I O2 -","- C10 H9 I O2 -","- C40 H36 I4 O8 -","4","1","","Ilie, Adriana; Harms, Klaus; Reetz, Manfred T.","P450-Catalyzed Regio- and Stereoselective Oxidative Hydroxylation of 6-Iodotetralone: Preparative-Scale Synthesis of a Key Intermediate for Pd-Catalyzed Transformations.","The Journal of organic chemistry","2018","83","14","7504","7508","10.1021/acs.joc.7b02878","","","0.71073","MoKα","","0.0124","0.0119","","","0.0278","0.028","","","","","","1.065","","","","has coordinates","227587","2020-10-21","18:00:00",""
"4033407","19.0529","0.0009","6.5875","0.0003","15.1398","0.0008","90","","103.068","0.001","90","","1851","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ilie75","","","- C10 H9 I O -","- C10 H9 I O -","- C80 H72 I8 O8 -","8","1","","Ilie, Adriana; Harms, Klaus; Reetz, Manfred T.","P450-Catalyzed Regio- and Stereoselective Oxidative Hydroxylation of 6-Iodotetralone: Preparative-Scale Synthesis of a Key Intermediate for Pd-Catalyzed Transformations.","The Journal of organic chemistry","2018","83","14","7504","7508","10.1021/acs.joc.7b02878","","","0.71073","MoKα","","0.0153","0.015","","","0.0365","0.0367","","","","","","1.213","","","","has coordinates","227587","2020-10-21","18:00:00",""
"4033408","6.807","0.0006","12.0906","0.001","13.8845","0.0011","67.8","0.002","83.447","0.003","73.949","0.003","1016.69","0.15","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","4","","Ilie, Adriana; Harms, Klaus; Reetz, Manfred T.","P450-Catalyzed Regio- and Stereoselective Oxidative Hydroxylation of 6-Iodotetralone: Preparative-Scale Synthesis of a Key Intermediate for Pd-Catalyzed Transformations.","The Journal of organic chemistry","2018","83","14","7504","7508","10.1021/acs.joc.7b02878","","","0.71073","MoKα","","0.0681","0.0572","","","0.1478","0.1542","","","","","","1.078","","","","has coordinates","227587","2020-10-21","18:00:00",""
"4033409","10.046","0.003","10.897","0.003","20.397","0.006","90","","97.917","0.014","90","","2211.6","1.1","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 O2 -","- C27 H30 O2 -","- C108 H120 O8 -","4","1","","Mei, Guang-Jian; Xu, Shao-Li; Zheng, Wen-Qin; Bian, Chen-Yu; Shi, Feng","[4 + 2] Cyclization of para-Quinone Methide Derivatives with Alkynes.","The Journal of organic chemistry","2018","83","3","1414","1421","10.1021/acs.joc.7b02942","","","0.71073","MoKα","","0.1221","0.0646","","","0.1656","0.1917","","","","","","0.926","","","","has coordinates","227619","2020-10-21","18:00:00",""
"4033410","16.1179","0.0013","17.738","0.0014","9.6044","0.0007","90","","105.471","0.001","90","","2646.4","0.4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Br O3 -","- C30 H31 Br O3 -","- C120 H124 Br4 O12 -","4","1","","Mei, Guang-Jian; Xu, Shao-Li; Zheng, Wen-Qin; Bian, Chen-Yu; Shi, Feng","[4 + 2] Cyclization of para-Quinone Methide Derivatives with Alkynes.","The Journal of organic chemistry","2018","83","3","1414","1421","10.1021/acs.joc.7b02942","","","0.71073","MoKα","","0.0504","0.037","","","0.0907","0.0971","","","","","","1.026","","","","has coordinates","227619","2020-10-21","18:00:00",""
"4033411","11.2487","0.0009","16.8165","0.0014","19.3106","0.0016","90","","90","","90","","3652.9","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 B2 F8 O2 P2 -","- C34 H42 B2 F8 O2 P2 -","- C136 H168 B8 F32 O8 P8 -","4","1","","Sieber, Joshua D.; Rodriguez, Sonia; Frutos, Rogelio; Buono, Frederic; Zhang, Yongda; Li, Ning; Qu, Bo; Premasiri, Ajith; Li, Zhibin; Han, Zhengxu S.; Xu, Yibo; Byrne, Denis; Haddad, Nizar; Lorenz, Jon; Grinberg, Nelu; Kurouski, Dmitry; Lee, Heewon; Narayanan, Bikshandarkoil; Nummy, Laurence; Mulder, Jason; Brown, Jack D.; Granger, Alice; Gao, Joe; Krawiec, Mariusz; Williams, Zeena; Pennino, Scott; Song, Jinhua J.; Hossain, Azad; Yee, Nathan K.; Busacca, Carl; Roschangar, Frank; Xin, Yanchao; Mao, Zhantong; Zhang, Xinzhu; Hong, Yaping; Senanayake, Chris H.","Development of a Scalable, Chromatography-Free Synthesis of t-Bu-SMS-Phos and Application to the Synthesis of an Important Chiral CF<sub>3</sub>-Alcohol Derivative with High Enantioselectivity Using Rh-Catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2018","83","3","1448","1461","10.1021/acs.joc.7b03022","","","1.54178","CuKα","","0.0927","0.0754","","","0.198","0.2105","","","","","","1.027","","","","has coordinates,has disorder","227621","2020-10-21","18:00:00",""
"4033412","12.72","0.003","21.862","0.004","13.524","0.003","90","","108.38","0.03","90","","3569","1.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H66 Cu6 N14 O3 S6 -","- C70 H66 Cu6 N14 O3 S6 -","- C140 H132 Cu12 N28 O6 S12 -","2","1","","Zhang, Meng-Juan; Tan, Da-Wei; Li, Hong-Xi; Young, David James; Wang, Hui-Fang; Li, Hai-Yan; Lang, Jian-Ping","Switchable Chemoselective Transfer Hydrogenations of Unsaturated Carbonyls Using Copper(I) N-Donor Thiolate Clusters.","The Journal of organic chemistry","2018","83","3","1204","1215","10.1021/acs.joc.7b02676","","","0.71073","MoKα","","0.0628","0.0542","","","0.1222","0.1302","","","","","","1.078","","","","has coordinates","227623","2020-10-21","18:00:00",""
"4033413","12.8655","0.0012","14.159","0.0013","16.1031","0.0015","115.333","0.002","104.641","0.002","96.319","0.002","2484.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H70 Cl12 Cu6 N12 S6 -","- C100 H70 Cl12 Cu6 N12 S6 -","- C100 H70 Cl12 Cu6 N12 S6 -","1","0.5","","Zhang, Meng-Juan; Tan, Da-Wei; Li, Hong-Xi; Young, David James; Wang, Hui-Fang; Li, Hai-Yan; Lang, Jian-Ping","Switchable Chemoselective Transfer Hydrogenations of Unsaturated Carbonyls Using Copper(I) N-Donor Thiolate Clusters.","The Journal of organic chemistry","2018","83","3","1204","1215","10.1021/acs.joc.7b02676","","","0.71073","MoKα","","0.0829","0.058","","","0.117","0.1258","","","","","","1.1","","","","has coordinates,has disorder","227623","2020-10-21","18:00:00",""
"4033414","11.498","0.002","16.85","0.003","22.074","0.004","90","","99.51","0.03","90","","4217.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H66 Cu6 N12 S6 -","- C96 H66 Cu6 N12 S6 -","- C192 H132 Cu12 N24 S12 -","2","0.5","","Zhang, Meng-Juan; Tan, Da-Wei; Li, Hong-Xi; Young, David James; Wang, Hui-Fang; Li, Hai-Yan; Lang, Jian-Ping","Switchable Chemoselective Transfer Hydrogenations of Unsaturated Carbonyls Using Copper(I) N-Donor Thiolate Clusters.","The Journal of organic chemistry","2018","83","3","1204","1215","10.1021/acs.joc.7b02676","","","0.71073","MoKα","","0.1049","0.0701","","","0.1231","0.1394","","","","","","1.127","","","","has coordinates,has disorder","227623","2020-10-21","18:00:00",""
"4033415","8.778","0.0006","9.5962","0.0006","15.1276","0.0011","88.947","0.003","74.264","0.003","67.765","0.003","1130.23","0.14","304.6","","304.6","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 O8 -","- C26 H24 O8 -","- C52 H48 O16 -","2","1","","Singh, Dileep Kumar; Kim, Ikyon","Skeletal Reorganization: Synthesis of Diptoindonesin G from Pauciflorol F.","The Journal of organic chemistry","2018","83","3","1667","1672","10.1021/acs.joc.7b03089","","","0.71073","MoKα","","0.1324","0.0635","","","0.1057","0.1265","","","","","","1.077","","","","has coordinates","227625","2020-10-21","18:00:00",""
"4033416","7.81","0.005","10.638","0.005","13.879","0.005","79.989","0.005","85.653","0.005","70.974","0.005","1073.3","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C50 H52 N4 O8 -","2","1","","Veeraswamy, Vadlamuri; Goswami, Gaurav; Mukherjee, Satobhisha; Ghosh, Koena; Saha, Manik Lal; Sengupta, Arunava; Ghorai, Manas K.","Memory of Chirality Concept in Asymmetric Intermolecular Michael Addition of α-Amino Ester Enolates to Enones and Nitroalkenes.","The Journal of organic chemistry","2018","83","3","1106","1115","10.1021/acs.joc.7b02315","","","0.71073","MoKα","","0.0877","0.0521","","","0.1244","0.1499","","","","","","1.095","","","","has coordinates","227628","2020-10-21","18:00:00",""
"4033417","11.123","0.005","11.216","0.005","18.015","0.005","104.581","0.005","101.069","0.005","97.47","0.005","2096.7","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 F N2 O4 -","- C22 H27 F N2 O4 -","- C88 H108 F4 N8 O16 -","4","2","","Veeraswamy, Vadlamuri; Goswami, Gaurav; Mukherjee, Satobhisha; Ghosh, Koena; Saha, Manik Lal; Sengupta, Arunava; Ghorai, Manas K.","Memory of Chirality Concept in Asymmetric Intermolecular Michael Addition of α-Amino Ester Enolates to Enones and Nitroalkenes.","The Journal of organic chemistry","2018","83","3","1106","1115","10.1021/acs.joc.7b02315","","","0.71069","MoKα","","0.1953","0.0748","","","0.1221","0.1546","","","","","","0.982","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033418","14.1899","0.001","15.0564","0.0008","18.4072","0.0012","90","","90","","90","","3932.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl N4 -","- C22 H23 Cl N4 -","- C176 H184 Cl8 N32 -","8","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.1462","0.1302","","","0.2921","0.3034","","","","","","1.819","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033419","16.3083","0.0005","9.767","0.0004","19.6225","0.0008","90","","90","","90","","3125.5","0.2","150","","150","","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.05","0.04","","","0.1016","0.1091","","","","","","1.049","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033420","17.6113","0.0019","9.5321","0.001","9.6776","0.0009","90","","92.417","0.003","90","","1623.2","0.3","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C80 H76 N12 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.0634","0.0518","","","0.1316","0.1385","","","","","","1.103","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033421","9.078","0.006","6.161","0.003","34.4","0.02","90","","94.14","0.02","90","","1919","1.9","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C88 H96 N16 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.1056","0.0653","","","0.1713","0.1945","","","","","","1.05","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033422","8.5778","0.0006","13.4422","0.001","14.8404","0.0012","77.608","0.003","82.915","0.003","71.874","0.003","1585.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H32 N2 S4 -","- C36 H32 N2 S4 -","- C72 H64 N4 S8 -","2","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.0737","0.0459","","","0.1008","0.1119","","","","","","1.019","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033423","13.6137","0.0008","6.1328","0.0003","20.1964","0.0011","90","","102.919","0.003","90","","1643.52","0.16","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C80 H84 N12 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.094","0.0703","","","0.1896","0.2166","","","","","","0.874","","","","has coordinates,has disorder","227632","2020-10-21","18:00:00",""
"4033424","6.2768","0.0012","11.5391","0.0017","25.917","0.004","90","","91.65","0.009","90","","1876.4","0.5","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C88 H96 N16 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.1247","0.0987","","","0.2511","0.2714","","","","","","1.131","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033425","42.452","0.003","8.5066","0.0005","9.6005","0.0007","90","","98.667","0.002","90","","3427.4","0.4","150","","150","","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C20 H18 N2 S2 -","- C20 H18 N2 S2 -","- C160 H144 N16 S16 -","8","2","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.0562","0.0471","","","0.1106","0.1167","","","","","","0.968","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033426","4.8449","0.0003","23.9147","0.0013","8.5862","0.0006","90","","105.37","0.007","90","","959.25","0.11","129.95","0.1","129.95","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N3 O4 S -","- C18 H27 N3 O4 S -","- C36 H54 N6 O8 S2 -","2","1","","Abdelraheem, Eman M. M.; Khaksar, Samad; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Shaabani, Shabnam; Dömling, Alexander","Two-Step Macrocycle Synthesis by Classical Ugi Reaction.","The Journal of organic chemistry","2018","83","3","1441","1447","10.1021/acs.joc.7b02984","","","1.5418","CuKα","","0.0717","0.0598","","","0.148","0.1629","","","","","","1.043","","","","has coordinates,has disorder","288197","2023-12-08","18:09:38",""
"4033427","14.377","0.0004","16.1729","0.0004","9.375","0.0002","90","","91.987","0.003","90","","2178.54","0.09","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N4 O5 -","- C21 H30 N4 O5 -","- C84 H120 N16 O20 -","4","1","","Abdelraheem, Eman M. M.; Khaksar, Samad; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Shaabani, Shabnam; Dömling, Alexander","Two-Step Macrocycle Synthesis by Classical Ugi Reaction.","The Journal of organic chemistry","2018","83","3","1441","1447","10.1021/acs.joc.7b02984","","x-ray","0.71073","MoKα","","0.0835","0.0525","","","0.1155","0.1336","","","","","","1.028","","","","has coordinates","227605","2020-10-21","18:00:00",""
"4033428","10.2751","0.0006","10.9293","0.0005","11.4868","0.0005","63.848","0.004","75.238","0.005","85.703","0.004","1118.65","0.11","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H33 N3 O3 S -","- C22 H33 N3 O3 S -","- C44 H66 N6 O6 S2 -","2","1","","Abdelraheem, Eman M. M.; Khaksar, Samad; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Shaabani, Shabnam; Dömling, Alexander","Two-Step Macrocycle Synthesis by Classical Ugi Reaction.","The Journal of organic chemistry","2018","83","3","1441","1447","10.1021/acs.joc.7b02984","","x-ray","0.71073","MoKα","","0.1241","0.1178","","","0.3688","0.3714","","","","","","1.098","","","","has coordinates","227605","2020-10-21","18:00:00",""
"4033429","8.552","0.003","14.315","0.005","19.352","0.007","90","","90","","90","","2369.1","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O5 S -","- C26 H27 N O5 S -","- C104 H108 N4 O20 S4 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","","0.71073","MoKα","","0.1044","0.0477","","","0.1113","0.1469","","","","","","0.929","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033430","16.1887","0.0015","6.0567","0.0006","21.921","0.002","90","","111.15","0.003","90","","2004.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O4 S2 -","- C20 H23 N O4 S2 -","- C80 H92 N4 O16 S8 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","","0.71073","MoKα","","0.0918","0.047","","","0.1346","0.1588","","","","","","1.007","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033431","14.214","0.003","10.495","0.003","19.36","0.005","90","","105.677","0.006","90","","2780.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O6 S2 -","- C27 H30 N2 O6 S2 -","- C108 H120 N8 O24 S8 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","","0.71073","MoKα","","0.1493","0.072","","","0.1367","0.1641","","","","","","1.054","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033432","10.5391","0.0004","11.194","0.0005","12.4871","0.0006","102.315","0.004","109.424","0.004","105.574","0.004","1261.89","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 N2 O6 S -","- C25 H32 N2 O6 S -","- C50 H64 N4 O12 S2 -","2","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","x-ray","0.71073","MoKα","","0.0457","0.04","","","0.1007","0.1054","","","","","","1.066","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033433","13.3456","0.0008","10.2748","0.0007","19.6583","0.0017","90","","90","","90","","2695.6","0.3","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H32 N2 O6 S2 -","- C28 H32 N2 O6 S2 -","- C112 H128 N8 O24 S8 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","x-ray","0.71073","MoKα","","0.0846","0.0639","","","0.1415","0.158","","","","","","1.044","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033434","10.9306","0.0018","10.966","0.0018","10.9747","0.0018","86.834","0.002","84.597","0.002","61.446","0.002","1150.3","0.3","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C64 H48 O4 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0894","0.054","","","0.1259","0.1391","","","","","","1.062","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033435","10.3936","0.0012","13.0178","0.0016","16.0441","0.0019","100.373","0.002","92.08","0.002","92.163","0.002","2131.7","0.4","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","2","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.1078","0.0585","","","0.1205","0.1508","","","","","","1.012","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033436","10.4878","0.0012","10.7169","0.0012","10.7804","0.0012","90","","101.988","0.002","90","","1185.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O -","- C16 H12 O -","- C64 H48 O4 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.056","0.05","","","0.1342","0.1397","","","","","","1.064","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033437","9.0161","0.0009","9.3663","0.001","16.0999","0.0016","77.857","0.001","85.231","0.001","69.991","0.001","1248.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H18 F6 O2 -","- C32 H18 F6 O2 -","- C64 H36 F12 O4 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0777","0.0526","","","0.1385","0.1631","","","","","","1.051","","","","has coordinates,has disorder","227530","2020-10-21","18:00:00",""
"4033438","9.019","0.002","24.9","0.005","10.765","0.002","90","","98.326","0.003","90","","2392","0.8","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C128 H96 O16 -","4","0.5","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0726","0.0482","","","0.1197","0.1468","","","","","","1.104","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033439","3.864","0.0011","10.515","0.003","13.701","0.004","90","","92.688","0.004","90","","556.1","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H9 Cl O -","- C15 H9 Cl O -","- C30 H18 Cl2 O2 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0794","0.0522","","","0.1085","0.1236","","","","","","1.087","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033440","11.1685","0.0007","10.7853","0.0007","18.9822","0.0011","90","","106.119","0.001","90","","2196.6","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 F2 O2 -","- C30 H18 F2 O2 -","- C120 H72 F8 O8 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0537","0.0399","","","0.0972","0.1057","","","","","","1.041","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033441","9.9579","0.0011","17.3275","0.0019","12.0829","0.0013","90","","96.297","0.002","90","","2072.3","0.4","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.05","0.0401","","","0.0967","0.1035","","","","","","1.043","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033442","41.029","0.004","9.251","0.0009","31.065","0.003","90","","126.324","0.001","90","","9499.8","1.6","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C512 H384 O64 -","32","4","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.1419","0.0598","","","0.1374","0.1802","","","","","","0.925","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033443","10.6655","0.0018","15.265","0.003","15.421","0.003","71.401","0.002","76.345","0.002","82.394","0.002","2307.9","0.7","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H18 Cl2 O2 -","- C30 H18 Cl2 O2 -","- C120 H72 Cl8 O8 -","4","2","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0859","0.0529","","","0.1288","0.1589","","","","","","1.052","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033444","9.9961","0.0009","10.5492","0.0009","10.7931","0.0009","89.069","0.001","65.605","0.001","88.511","0.001","1036.16","0.16","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C60 H40 O4 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0545","0.0429","","","0.1015","0.1108","","","","","","1.027","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033445","3.8335","0.0002","10.3188","0.0004","26.6901","0.0011","90","","93.597","0.002","90","","1053.7","0.08","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F O -","- C15 H9 F O -","- C60 H36 F4 O4 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","1.54178","CuKα","","0.0574","0.0553","","","0.1534","0.1555","","","","","","1.062","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033446","15.535","0.003","7.9072","0.0014","17.8","0.003","90","","95.106","0.003","90","","2177.8","0.7","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C30 H18 F2 O2 -","- C30 H18 F2 O2 -","- C120 H72 F8 O8 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0755","0.0489","","","0.1117","0.1337","","","","","","1.047","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033447","9.831","0.005","9.914","0.005","13.521","0.005","97.504","0.005","96.367","0.005","103.575","0.005","1256.3","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 O2 Si -","- C28 H34 O2 Si -","- C56 H68 O4 Si2 -","2","1","","Acharyya, Ranjan Kumar; Rej, Rohan Kalyan; Nanda, Samik","Exploration of Ring Rearrangement Metathesis Reaction: A General and Flexible Approach for the Rapid Construction [5,n]-Fused Bicyclic Systems en Route to Linear Triquinanes.","The Journal of organic chemistry","2018","83","4","2087","2103","10.1021/acs.joc.7b03021","","","0.71073","MoKα","","0.0616","0.0491","","","0.1274","0.134","","","","","","1.026","","","","has coordinates","227544","2020-10-21","18:00:00",""
"4033448","9.435","0.005","23.467","0.011","11.844","0.005","90","","95.89","0.03","90","","2609","2","299","2","299.59","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H0.12 O2 -","- C14 H22 O2 -","- C112 H176 O16 -","8","4","","Acharyya, Ranjan Kumar; Rej, Rohan Kalyan; Nanda, Samik","Exploration of Ring Rearrangement Metathesis Reaction: A General and Flexible Approach for the Rapid Construction [5,n]-Fused Bicyclic Systems en Route to Linear Triquinanes.","The Journal of organic chemistry","2018","83","4","2087","2103","10.1021/acs.joc.7b03021","","","0.71073","MoKα","","0.5598","0.1736","","","0.2831","0.4532","","","","","","0.902","","","","has coordinates","227544","2020-10-21","18:00:00",""
"4033449","8.198","0.005","8.834","0.005","12.549","0.005","94.382","0.005","96.169","0.005","111.538","0.005","833.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 O4 S2 -","- C20 H14 O4 S2 -","- C40 H28 O8 S4 -","2","1","","Shukla, Gaurav; Srivastava, Abhijeet; Yadav, Dhananjay; Singh, Maya Shankar","Copper-Catalyzed One-Pot Cross-Dehydrogenative Thienannulation: Chemoselective Access to Naphtho[2,1-b]thiophene-4,5-diones and Subsequent Transformation to Benzo[a]thieno[3,2-c]phenazines.","The Journal of organic chemistry","2018","83","4","2173","2181","10.1021/acs.joc.7b03092","","","0.71069","MoKα","","0.0428","0.0344","","","0.0854","0.0899","","","","","","1.052","","","","has coordinates","227529","2020-10-21","18:00:00",""
"4033450","9.7466","0.0001","9.7676","0.0001","10.7026","0.00001","85.274","0.0005","77.964","0.0005","88.03","0.0005","992.956","0.015","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C44 H56 N4 O8 -","2","1","","Goli, Navya; Kallepu, Shivakrishna; Mainkar, Prathama S.; Lakshmi, Jerripothula K.; Chegondi, Rambabu; Chandrasekhar, Srivari","Synthetic Strategy toward the Pentacyclic Core of Melodinus Alkaloids.","The Journal of organic chemistry","2018","83","4","2244","2249","10.1021/acs.joc.7b03138","","","0.71073","MoKα","","0.0581","0.0467","","","0.1219","0.1298","","","","","","1.04","","","","has coordinates","227532","2020-10-21","18:00:00",""
"4033451","5.48695","0.00006","21.501","0.0003","13.58645","0.00016","90","","95.1653","0.0011","90","","1596.35","0.03","100.02","0.1","100.02","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0366","0.0343","","","0.0856","0.0874","","","","","","1.035","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033452","13.3733","0.0004","8.5291","0.0003","15.5173","0.0006","90","","102.817","0.003","90","","1725.84","0.11","150","0.1","150","0.1","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0563","0.0508","","","0.1333","0.1399","","","","","","1.056","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033453","8.2565","0.0002","8.9113","0.0002","12.9798","0.0003","103.393","0.002","104.933","0.002","101.202","0.002","864.27","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 Br O4 -","- C20 H17 Br O4 -","- C40 H34 Br2 O8 -","2","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0287","0.0281","","","0.0756","0.0761","","","","","","1.084","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033454","8.30129","0.00008","22.3383","0.0002","8.97393","0.0001","90","","96.2433","0.001","90","","1654.23","0.03","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0366","0.0341","","","0.0851","0.0871","","","","","","1.04","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033455","8.6301","0.0006","8.6645","0.0007","22.6154","0.0012","81.578","0.005","89.377","0.005","88.703","0.006","1672.4","0.2","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","2","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0516","0.0445","","","0.1115","0.118","","","","","","1.043","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033456","35.6381","0.0016","6.3353","0.0002","14.7029","0.0007","90","","111.535","0.003","90","","3087.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 F3 N O4 -","- C16 H16 F3 N O4 -","- C128 H128 F24 N8 O32 -","8","1","","Lefebvre, Corentin; Michelin, Clément; Martzel, Thomas; Djou'ou Mvondo, Vaneck; Bulach, Véronique; Abe, Manabu; Hoffmann, Norbert","Photochemically Induced Intramolecular Radical Cyclization Reactions with Imines.","The Journal of organic chemistry","2018","83","4","1867","1875","10.1021/acs.joc.7b02810","","","0.71073","MoKα","","0.0613","0.0472","","","0.1265","0.1368","","","","","","1.008","","","","has coordinates","227551","2020-10-21","18:00:00",""
"4033457","8.3163","0.0001","14.7164","0.0002","24.3781","0.0004","90","","90.414","0.001","90","","2983.46","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 F3 N O4 -","- C15 H14 F3 N O4 -","- C120 H112 F24 N8 O32 -","8","2","","Lefebvre, Corentin; Michelin, Clément; Martzel, Thomas; Djou'ou Mvondo, Vaneck; Bulach, Véronique; Abe, Manabu; Hoffmann, Norbert","Photochemically Induced Intramolecular Radical Cyclization Reactions with Imines.","The Journal of organic chemistry","2018","83","4","1867","1875","10.1021/acs.joc.7b02810","","","0.71073","MoKα","","0.0691","0.0443","","","0.1004","0.1129","","","","","","1.038","","","","has coordinates","227551","2020-10-21","18:00:00",""
"4033458","8.362","0.0002","33.0398","0.0007","11.7333","0.0003","90","","108.816","0.0007","90","","3068.42","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F3 N O4 -","- C16 H16 F3 N O4 -","- C128 H128 F24 N8 O32 -","8","2","","Lefebvre, Corentin; Michelin, Clément; Martzel, Thomas; Djou'ou Mvondo, Vaneck; Bulach, Véronique; Abe, Manabu; Hoffmann, Norbert","Photochemically Induced Intramolecular Radical Cyclization Reactions with Imines.","The Journal of organic chemistry","2018","83","4","1867","1875","10.1021/acs.joc.7b02810","","","0.71073","MoKα","","0.0627","0.0463","","","0.107","0.1154","","","","","","1.014","","","","has coordinates","227551","2020-10-21","18:00:00",""
"4033459","8.3873","0.0007","9.3221","0.0008","22.9755","0.0019","90","","90","","90","","1796.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C88 H72 O8 S4 -","4","1","","Rodríguez, Ricardo I; Ramírez, Elsie; Yuste, Francisco; Sánchez-Obregón, Rubén; Alemán, José","Asymmetric Synthesis of Secondary and Tertiary Propargylic Alcohols by Umpolung of Acetylenic Sulfones and ortho-Sulfinyl Carbanions.","The Journal of organic chemistry","2018","83","4","1940","1947","10.1021/acs.joc.7b02887","","","0.71073","MoKα","","0.0885","0.0585","","","0.0937","0.1087","","","","","","1.08","","","","has coordinates","227540","2020-10-21","18:00:00",""
"4033460","6.97","0.0003","10.2932","0.0005","23.6169","0.0013","90","","90","","90","","1694.36","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O3 S2 -","- C17 H15 N3 O3 S2 -","- C68 H60 N12 O12 S8 -","4","1","","Radhakrishnan, Rakesh; Sreejalekshmi, K. G.","Computational Design, Synthesis, and Structure Property Evaluation of 1,3-Thiazole-Based Color-Tunable Multi-heterocyclic Small Organic Fluorophores as Multifunctional Molecular Materials.","The Journal of organic chemistry","2018","83","7","3453","3466","10.1021/acs.joc.7b02978","","","0.71073","MoKα","","0.0334","0.0292","","","0.0741","0.079","","","","","","1.074","","","","has coordinates","227601","2020-10-21","18:00:00",""
"4033461","13.2276","0.0005","13.663","0.0005","19.1637","0.0007","104.17","0.003","98.467","0.003","113.339","0.004","2965","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H66 Cl2 K N10 O6 -","- C64 H66 Cl2 K N10 O6 -","- C128 H132 Cl4 K2 N20 O12 -","2","1","","Konarev, Dmitri V.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Yudanova, Evgeniya I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Solid State Structure, and Optical and Magnetic Properties, of Free Base Tetra(4-pyridyl)porphyrin {H<sub>2</sub>T(4-Py)P}<sup>•-</sup> Radical Anions.","The Journal of organic chemistry","2018","83","4","1861","1866","10.1021/acs.joc.7b02791","","x-ray","0.71073","MoKα","","0.095","0.0619","","","0.1366","0.1526","","","","","","1.024","","","","has coordinates","227547","2020-10-21","18:00:00",""
"4033462","9.0004","0.0007","16.388","0.001","9.7835","0.0008","90","","90.926","0.003","90","","1442.86","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 F N O2 S -","- C14 H14 F N O2 S -","- C56 H56 F4 N4 O8 S4 -","4","2","","Silva, Sandrina; Matsuo, Bianca T.; da Silva, Rodrigo C.; Pozzi, Lucas V.; Correa, Arlene G.; Rollin, Patrick; Zukerman-Schpector, Julio; Ferreira, Marco A. B.; Paixão, Márcio W","Organocatalyzed Asymmetric Vinylogous Addition of Oxazole-2(3H)-thiones to α,β-Unsaturated Ketones: An Additive-Free Approach for Diversification of Heterocyclic Scaffold.","The Journal of organic chemistry","2018","83","4","1701","1716","10.1021/acs.joc.7b02236","","","0.71073","MoKα","","0.0659","0.0472","","","0.1169","0.1283","","","","","","1.033","","","","has coordinates","227524","2020-10-21","18:00:00",""
"4033463","9.4497","0.0004","6.4699","0.0003","12.5564","0.0006","90","","99.507","0.002","90","","757.14","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C34 H52 O4 -","2","1","","Kim, Kelly E.; Adams, Ashley M.; Chiappini, Nicholas D.; Du Bois, J.; Stoltz, Brian M.","Cyanthiwigin Natural Product Core as a Complex Molecular Scaffold for Comparative Late-Stage C-H Functionalization Studies.","The Journal of organic chemistry","2018","83","6","3023","3033","10.1021/acs.joc.7b03291","","","1.54178","CuKα","","0.0422","0.038","","","0.0898","0.0924","","","","","","1.062","","","","has coordinates","227571","2020-10-21","18:00:00",""
"4033464","4.6806","0.0002","33.3839","0.0011","11.9303","0.0004","90","","101.048","0.002","90","","1829.64","0.12","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 O7 -","- C22 H20 O7 -","- C88 H80 O28 -","4","1","","Saavedra, Diana I.; Rencher, Benjamin D.; Kwon, Doo-Hyun; Smith, Stacey J.; Ess, Daniel H.; Andrus, Merritt B.","Synthesis and Computational Studies Demonstrate the Utility of an Intramolecular Styryl Diels-Alder Reaction and Di-t-butylhydroxytoluene Assisted [1,3]-Shift to Construct Anticancer dl-Deoxypodophyllotoxin.","The Journal of organic chemistry","2018","83","4","2018","2026","10.1021/acs.joc.7b02957","","","1.54178","CuKα","","0.0263","0.0261","","","0.0832","0.0836","","","","","","0.83","","","","has coordinates,has disorder","227542","2020-10-21","18:00:00",""
"4033465","7.0365","0.0007","15.2618","0.0016","20.961","0.002","90","","90","","90","","2251","0.4","119","2","119","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl3 O7 -","- C23 H21 Cl3 O7 -","- C92 H84 Cl12 O28 -","4","1","","Saavedra, Diana I.; Rencher, Benjamin D.; Kwon, Doo-Hyun; Smith, Stacey J.; Ess, Daniel H.; Andrus, Merritt B.","Synthesis and Computational Studies Demonstrate the Utility of an Intramolecular Styryl Diels-Alder Reaction and Di-t-butylhydroxytoluene Assisted [1,3]-Shift to Construct Anticancer dl-Deoxypodophyllotoxin.","The Journal of organic chemistry","2018","83","4","2018","2026","10.1021/acs.joc.7b02957","","","1.54178","CuKα","","0.0358","0.0316","","","0.0704","0.072","","","","","","1.008","","","","has coordinates,has disorder","227542","2020-10-21","18:00:00",""
"4033466","11.2892","0.0015","8.9842","0.0011","14.7594","0.0018","90","","96.296","0.005","90","","1487.9","0.3","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H42 O7 -","- C35 H42 O7 -","- C70 H84 O14 -","2","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.56086","AgKα","","0.0364","0.0343","","","0.0909","0.0934","","","","","","1.08","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033467","8.9952","0.0005","10.1174","0.0006","15.183","0.0008","90","","90.099","0.005","90","","1381.77","0.13","100","0.16","100","0.16","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H36 O5 -","- C32 H36 O5 -","- C64 H72 O10 -","2","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","x-ray","0.71073","MoKα","","0.0524","0.042","","","0.0837","0.0897","","","","","","1.049","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033468","11.3559","0.0003","15.9683","0.0003","20.4082","0.0006","90","","90","","90","","3700.71","0.16","101","2","101","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O8 -","- C42 H48 O8 -","- C168 H192 O32 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","x-ray","0.71073","MoKα","","0.0705","0.0476","","","0.1059","0.117","","","","","","1.114","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033469","18.8918","0.0003","18.8918","0.0003","6.39506","0.00013","90","","90","","120","","1976.61","0.06","100","0.12","100","0.12","","","","","","","","3","P 31","P 31","144","","","","- C30 H32 O5 -","- C30 H32 O5 -","- C90 H96 O15 -","3","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","x-ray","0.71073","MoKα","K-L~3~","0.0635","0.0532","","","0.1469","0.1554","","","","","","1.078","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033470","7.465","0.0005","14.7263","0.001","31.5337","0.0018","90","","90","","90","","3466.6","0.4","99.97","0.13","99.97","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 N2 O10 -","- C39 H38 N2 O10 -","- C156 H152 N8 O40 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.7107","MoKα","","0.0675","0.044","","","0.0781","0.0852","","","","","","1.055","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033471","11.5718","0.0008","14.1562","0.0009","22.0456","0.0015","90","","90","","90","","3611.3","0.4","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O8 -","- C42 H48 O8 -","- C168 H192 O32 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.56086","AgKα","","0.0744","0.0469","","","0.0996","0.1113","","","","","","1.038","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033472","14.2573","0.0013","19.037","0.002","25.037","0.002","90","","90","","90","","6795.4","1.1","298","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H30 F3 N O -","- C45 H30 F3 N O -","- C360 H240 F24 N8 O8 -","8","1","","Bettadapur, Kiran R.; Kapanaiah, Raja; Lanke, Veeranjaneyulu; Prabhu, Kandikere Ramaiah","Weak Directing Group Steered Formal Oxidative [2+2+2]-Cyclization for Selective Benzannulation of Indoles.","The Journal of organic chemistry","2018","83","4","1810","1818","10.1021/acs.joc.7b02719","","","0.71073","MoKα","","0.2579","0.0816","","","0.1798","0.2787","","","","","","0.927","","","","has coordinates","227546","2020-10-21","18:00:00",""
"4033473","50.666","0.01","18.311","0.004","26.972","0.005","90","","122.15","0.03","90","","21186","10","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C205 H199 Cl12 N39 O39 -","- C205 H198 Cl12 N39 O39 -","- C820 H792 Cl48 N156 O156 -","4","0.5","","Wang, Wei; Zhang, Chenyang; Qi, Shuaiwei; Deng, Xiaoli; Yang, Bing; Liu, Junqiu; Dong, Zeyuan","A Switchable Helical Capsule for Encapsulation and Release of Potassium Ion.","The Journal of organic chemistry","2018","83","4","1898","1902","10.1021/acs.joc.7b02840","","","0.71073","MoKα","","0.1711","0.0709","","","0.1974","0.2396","","","","","","0.925","","","","has coordinates,has disorder","227533","2020-10-21","18:00:00",""
"4033474","13.1795","0.001","7.9817","0.0006","18.5976","0.0013","90","","105.361","0.004","90","","1886.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MCY-593","","","- C23 H16 Br N3 -","- C23 H16 Br N3 -","- C92 H64 Br4 N12 -","4","1","","Baek, Yonghyeon; Maeng, Chanyoung; Kim, Hyunseok; Lee, Phil Ho","Regioselective Synthesis of Indolopyrazines through a Sequential Rhodium-Catalyzed Formal [3+3] Cycloaddition and Aromatization Reaction of Diazoindolinimines with Azirines.","The Journal of organic chemistry","2018","83","4","2349","2360","10.1021/acs.joc.8b00115","","","0.71073","","","0.0806","0.0466","","","0.1157","0.1325","","","","","","1.059","","","","has coordinates","227537","2020-10-21","18:00:00",""
"4033475","7.0232","0.0009","8.8151","0.0011","17.845","0.002","82.58","0.0011","89.993","0.0012","73.8609","0.0012","1051.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","MCY-328","","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C44 H44 N8 O10 -","2","1","","Baek, Yonghyeon; Maeng, Chanyoung; Kim, Hyunseok; Lee, Phil Ho","Regioselective Synthesis of Indolopyrazines through a Sequential Rhodium-Catalyzed Formal [3+3] Cycloaddition and Aromatization Reaction of Diazoindolinimines with Azirines.","The Journal of organic chemistry","2018","83","4","2349","2360","10.1021/acs.joc.8b00115","","","0.71073","","","0.051","0.0404","","","0.0972","0.1047","","","","","","1.024","","","","has coordinates","227537","2020-10-21","18:00:00",""
"4033476","10.1674","0.0002","15.1172","0.0004","12.4673","0.0003","90","","107.441","0.0013","90","","1828.16","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MCY-589","","","- C23 H16 Br N3 -","- C23 H16 Br N3 -","- C92 H64 Br4 N12 -","4","1","","Baek, Yonghyeon; Maeng, Chanyoung; Kim, Hyunseok; Lee, Phil Ho","Regioselective Synthesis of Indolopyrazines through a Sequential Rhodium-Catalyzed Formal [3+3] Cycloaddition and Aromatization Reaction of Diazoindolinimines with Azirines.","The Journal of organic chemistry","2018","83","4","2349","2360","10.1021/acs.joc.8b00115","","","0.71073","","","0.0666","0.0437","","","0.0897","0.0986","","","","","","1.039","","","","has coordinates","227537","2020-10-21","18:00:00",""
"4033477","10.1384","0.0015","12.1562","0.0017","15.084","0.002","94.346","0.004","92.373","0.004","102.343","0.004","1807.7","0.4","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Br Cl3 N O9 -","- C35 H35 Br Cl3 N O9 -","- C70 H70 Br2 Cl6 N2 O18 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.1101","0.0734","","","0.1923","0.2362","","","","","","1.204","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033478","7.583","0.0008","10.4504","0.0009","11.0381","0.0009","113.612","0.002","97.664","0.004","93.996","0.004","786.99","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C42 H36 O10 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.083","0.0487","","","0.1189","0.1502","","","","","","1.137","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033479","8.34194","0.00018","11.931","0.0002","14.0513","0.0003","93.3776","0.0014","101.185","0.0014","104.674","0.0013","1318.56","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 I2 O6 -","- C26 H30 I2 O6 -","- C52 H60 I4 O12 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","1.54187","CuKα","","0.0519","0.044","","","0.1087","0.1216","","","","","","1.077","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033480","10.772","0.005","10.898","0.006","13.504","0.008","106.48","0.02","99.82","0.02","91.99","0.02","1492.1","1.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H44 O6 Si -","- C31 H44 O6 Si -","- C62 H88 O12 Si2 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.0581","0.048","","","0.1335","0.1408","","","","","","1.103","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033481","9.7839","0.0007","24.3889","0.0015","10.3536","0.0009","90","","92.947","0.003","90","","2467.3","0.3","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O8 -","- C27 H31 N O8 -","- C108 H124 N4 O32 -","4","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.0773","0.0647","","","0.1735","0.1875","","","","","","1.054","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033482","10.9679","0.0002","17.732","0.0003","20.2762","0.0004","90","","90","","90","","3943.37","0.13","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 Br N4 O6 -","- C44 H41 Br N4 O6 -","- C176 H164 Br4 N16 O24 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0588","0.0381","","","0.0738","0.0789","","","","","","0.974","","","","has coordinates,has disorder","227541","2020-10-21","18:00:00",""
"4033483","5.6523","0.0001","17.3959","0.0004","21.5001","0.0005","90","","90","","90","","2114.04","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C92 H88 Br4 N12 O12 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0417","0.0319","","","0.0594","0.0617","","","","","","0.996","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033484","8.5819","0.0004","10.4353","0.0005","18.294","0.001","90","","90","","90","","1638.31","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O3 -","- C18 H20 Cl N O3 -","- C72 H80 Cl4 N4 O12 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0398","0.0312","","","0.0644","0.0679","","","","","","1.084","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033485","5.6515","0.0012","8.034","0.002","12.082","0.003","81.886","0.008","88.585","0.009","73.865","0.009","521.6","0.2","140","2","140","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","1","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0922","0.0615","","","0.1341","0.1497","","","","","","0.926","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033486","11.3679","0.0013","11.7476","0.0011","13.3386","0.0013","78.54","0.008","75.237","0.009","76.104","0.009","1654.1","0.3","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H35 Br N O3 -","- C44 H35 Br N O3 -","- C88 H70 Br2 N2 O6 -","2","2","","Aida, Yukimasa; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Unsymmetrical α,ω-Diynes with Acenaphthylene.","The Journal of organic chemistry","2018","83","5","2617","2626","10.1021/acs.joc.7b03042","","x-ray","0.71073","MoKα","","0.1812","0.0873","","","0.1905","0.2422","","","","","","0.994","","","","has coordinates","227521","2020-10-21","18:00:00",""
"4033487","5.9406","0.0002","13.479","0.0007","22.5785","0.0015","90","","91.817","0.005","90","","1807.03","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N -","- C25 H23 N -","- C100 H92 N4 -","4","1","","Andreou, Dimitrios; Kallitsakis, Michael G.; Loukopoulos, Edward; Gabriel, Catherine; Kostakis, George E.; Lykakis, Ioannis N.","Copper-Promoted Regioselective Synthesis of Polysubstituted Pyrroles from Aldehydes, Amines, and Nitroalkenes via 1,2-Phenyl/Alkyl Migration.","The Journal of organic chemistry","2018","83","4","2104","2113","10.1021/acs.joc.7b03051","","x-ray","0.71073","MoKα","","0.0708","0.0471","","","0.1071","0.1177","","","","","","1.019","","","","has coordinates","227543","2020-10-21","18:00:00",""
"4033488","14.0083","0.0012","15.8585","0.001","18.1756","0.0015","98.852","0.006","110.605","0.008","104.194","0.006","3533.4","0.6","119.9","","119.9","","","","","","","","","5","P -1","-P 1","2","","","","- C124 H118 Cl30 N24 O12 -","- C124 H118 Cl30 N24 O12 -","- C124 H118 Cl30 N24 O12 -","1","0.5","","Fiala, Tomas; Sleziakova, Kristina; Marsalek, Kamil; Salvadori, Karolina; Sindelar, Vladimir","Thermodynamics of Halide Binding to a Neutral Bambusuril in Water and Organic Solvents.","The Journal of organic chemistry","2018","83","4","1903","1912","10.1021/acs.joc.7b02846","","","1.5418","CuKα","","0.288","0.1364","","","0.332","0.4382","","","","","","1.044","","","","has coordinates,has disorder","227527","2020-10-21","18:00:00",""
"4033489","14.8423","0.0007","6.5103","0.0005","19.3939","0.0016","90","","94.557","0.005","90","","1868.1","0.2","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C88 H64 N16 O12 -","4","2","","Sun, Meng; Zhu, Zi-Qi; Gu, Ling; Wan, Xiao; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric Dearomative [3 + 2] Cycloaddition of Electron-Deficient Indoles with All-Carbon 1,3-Dipoles.","The Journal of organic chemistry","2018","83","4","2341","2348","10.1021/acs.joc.7b03259","","","1.54178","CuKα","","0.0526","0.046","","","0.0981","0.103","","","","","","1.078","","","","has coordinates","227534","2020-10-21","18:00:00",""
"4033490","29.4324","0.0013","26.5753","0.0012","6.9714","0.0004","90","","90","","90","","5452.9","0.5","293.59","0.1","293.59","0.1","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C224 H232 N8 O16 S8 -","8","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","1.54184","CuKα","","0.1208","0.0905","","","0.2444","0.2668","","","","","","1.059","","","","has coordinates,has disorder","227536","2020-10-21","18:00:00",""
"4033491","28.823","0.003","6.1859","0.0006","10.1655","0.001","90","","98.975","0.011","90","","1790.3","0.3","198","130","198","130","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O3 S -","- C24 H17 N O3 S -","- C96 H68 N4 O12 S4 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","1.54184","CuKα","","0.1061","0.0748","","","0.2011","0.225","","","","","","1.025","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033492","9.8231","0.0012","26.649","0.003","18.153","0.002","90","","104.358","0.003","90","","4603.6","0.9","100.1","0.1","100.1","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 N2 O4 S2 -","- C56 H58 N2 O4 S2 -","- C224 H232 N8 O16 S8 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","K-L~3~","0.14","0.069","","","0.1732","0.2124","","","","","","1.02","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033493","13.6323","0.0002","15.09644","0.00019","25.7076","0.0003","90","","90","","90","","5290.6","0.12","185","0.1","185","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C240 H208 N16 O48 S16 -","16","4","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","","0.0662","0.0457","","","0.0931","0.103","","","","","","1.043","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033494","8.6888","0.0002","8.722","0.0002","16.7794","0.0004","88.443","0.002","80.206","0.002","70.222","0.002","1178.52","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 N O3 S -","- C28 H31 N O3 S -","- C56 H62 N2 O6 S2 -","2","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","","0.0442","0.0382","","","0.1041","0.1083","","","","","","1.05","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033495","7.3734","0.0004","12.7312","0.0006","14.7746","0.0007","80.569","0.004","80.605","0.004","84.52","0.004","1346.45","0.12","295","5","295","5","","","","","","","","5","P 1","P 1","1","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","4","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","1.54184","CuKα","","0.0878","0.0772","","","0.2233","0.2437","","","","","","1.057","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033496","11.4514","0.0004","11.4917","0.0003","11.8877","0.0005","112.31","0.003","117.995","0.004","91.276","0.003","1238.85","0.1","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H25 N O -","- C32 H25 N O -","- C64 H50 N2 O2 -","2","1","","Ding, Ting-Hui; Xiao, Zu-Feng; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of Highly Functionalized Indoles and Indolones via Selectivity-Switchable Olefinations.","The Journal of organic chemistry","2018","83","4","2467","2472","10.1021/acs.joc.7b03158","","","1.54184","CuKα","","0.0453","0.0416","","","0.1156","0.1195","","","","","","1.041","","","","has coordinates","227549","2020-10-21","18:00:00",""
"4033497","10.2656","0.001","10.2864","0.001","18.0426","0.0018","78.82","0.004","76.003","0.004","68.308","0.004","1706.2","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","± ((2R,3R)-5-(dimethylamino)-4-nitro-3-phenyl-2,3-dihydrothiophen-2-yl) (phenyl)methanone","","- C19 H18.25 N2 O3.12 S -","- C19 H18.25 N2 O3.125 S -","- C76 H73 N8 O12.5 S4 -","4","2","","Neuhaus, James D.; Angyal, Peter; Oost, Rik; Maulide, Nuno","(3+2) Cycloadditions of Thiouronium Ylides: A Room-Temperature, One-Pot Approach to Dihydrothiophenes.","The Journal of organic chemistry","2018","83","4","2479","2485","10.1021/acs.joc.7b03255","","x-ray","0.71073","MoKα","","0.0354","0.0319","","","0.0832","0.0855","","","","","","1.031","","","","has coordinates,has disorder","227526","2020-10-21","18:00:00",""
"4033498","9.871","0.0004","13.501","0.0005","16.5306","0.0006","90","","97.2531","0.0011","90","","2185.38","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 Cl3 -","- C29 H17 Cl3 -","- C116 H68 Cl12 -","4","1","","Thakellapalli, Haresh; Farajidizaji, Behzad; Li, Shuangjiang; Heller, Josef C.; Zhang, Yu; Akhmedov, Novruz G.; Milsmann, Carsten; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of a Cyclophane Bearing Two Benz[a]anthracene Units Connected at the 5 and 7 Positions with Two Naphth-1,4-diyl Groups.","The Journal of organic chemistry","2018","83","4","2455","2459","10.1021/acs.joc.7b03081","","","0.71073","MoKα","","0.0685","0.047","","","0.1115","0.1241","","","","","","1.019","","","","has coordinates","227538","2020-10-21","18:00:00",""
"4033499","9.5269","0.0011","9.7728","0.0011","18.425","0.002","76.997","0.002","81.579","0.001","72.555","0.001","1588.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 N O6 S -","- C34 H45 N O6 S -","- C68 H90 N2 O12 S2 -","2","1","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.0398","0.0367","","","0.0953","0.0984","","","","","","1.037","","","","has coordinates","227539","2020-10-21","18:00:00",""
"4033500","7.1482","0.0005","10.6504","0.0007","11.8975","0.0008","67.722","0.003","80.069","0.003","84.547","0.003","825.16","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C34 H28 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0347","0.0314","","","0.0786","0.0808","","","","","","1.048","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033501","9.129","0.0008","18.409","0.0016","9.3444","0.0008","90","","110.511","0.003","90","","1470.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F O4 S -","- C17 H13 F O4 S -","- C68 H52 F4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0459","0.0357","","","0.0816","0.0872","","","","","","1.036","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033502","8.922","0.002","10.14","0.002","10.581","0.002","95.636","0.005","113.616","0.004","113.126","0.004","768.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C36 H32 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0457","0.0364","","","0.0928","0.0984","","","","","","1.036","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033503","10.374","0.003","11.581","0.003","19.365","0.005","89.312","0.006","79.036","0.006","81.936","0.007","2261.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 F2 O4 S -","- C17 H12 F2 O4 S -","- C102 H72 F12 O24 S6 -","6","3","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0759","0.0501","","","0.1233","0.1405","","","","","","1.024","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033504","29.6762","0.0012","13.3274","0.0005","8.2384","0.0003","90","","97.188","0.001","90","","3232.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C136 H128 N16 O24 S8 -","8","2","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0637","0.0468","","","0.112","0.1233","","","","","","1.075","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033505","13.411","0.0006","10.1144","0.0004","18.3473","0.001","90","","90","","90","","2488.7","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.1095","0.0752","","","0.1893","0.2093","","","","","","1.092","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033506","5.9308","0.0011","15.169","0.003","17.477","0.003","90","","95.622","0.005","90","","1564.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 N6 O3 -","- C42.048 H29.952 N6 O2.952 -","- C84.096 H59.904 N12 O5.904 -","2","0.5","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0741","0.0427","","","0.0977","0.1118","","","","","","1.031","","","","has coordinates,has disorder","227525","2020-10-21","18:00:00",""
"4033507","3.7669","0.0004","22.031","0.002","5.8049","0.0006","90","","94.543","0.003","90","","480.23","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C26 H20 N4 O2 -","2","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0338","0.0327","","","0.0921","0.0929","","","","","","1.187","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033508","19.3193","0.0014","5.7445","0.0004","17.458","0.0012","90","","109.594","0.006","90","","1825.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Peneau, Augustin; Retailleau, Pascal; Guillou, Catherine; Chabaud, Laurent","Rhodium(III)-Catalyzed Synthesis of Spiropiperidine Derivatives via C-H Activation.","The Journal of organic chemistry","2018","83","4","2324","2340","10.1021/acs.joc.7b03252","","","0.71075","MoKα","","0.0667","0.0455","","","0.1081","0.1239","","","","","","1.044","","","","has coordinates","227550","2020-10-21","18:00:00",""
"4033509","11.029","0.015","9.057","0.012","9.072","0.012","90","","108.1","0.02","90","","861","2","296","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cl N O -","- C9 H8 Cl N O -","- C36 H32 Cl4 N4 O4 -","4","1","","Maity, Rajib; Naskar, Sandip; Das, Indrajit","Copper(II)-Catalyzed Reactions of α-Keto Thioesters with Azides via C-C and C-S Bond Cleavages: Synthesis of N-Acylureas and Amides.","The Journal of organic chemistry","2018","83","4","2114","2124","10.1021/acs.joc.7b03054","","","0.71073","MoKα","","0.0747","0.0457","","","0.1264","0.1453","","","","","","1.059","","","","has coordinates","227531","2020-10-21","18:00:00",""
"4033510","13.99","0.03","13.738","0.018","18.76","0.03","90","","107","0.09","90","","3448","10","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H21 B Fe N10 -","- C44 H21 B Fe N10 -","- C176 H84 B4 Fe4 N40 -","4","1","","Muñoz, Alberto Viñas; Gotfredsen, Henrik; Jevric, Martyn; Kadziola, Anders; Hammerich, Ole; Nielsen, Mogens Brøndsted","Synthesis and Properties of Subphthalocyanine-Tetracyanobutadiene-Ferrocene Triads.","The Journal of organic chemistry","2018","83","4","2227","2234","10.1021/acs.joc.7b03122","","","0.71073","MoKα","","0.0596","0.0543","","","0.14","0.147","","","","","","1.146","","","","has coordinates","227548","2020-10-21","18:00:00",""
"4033511","11.45","0.02","17.62","0.03","37.95","0.07","90","","98.9","0.07","90","","7564","2","122","2","122","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H29 B Fe N10 -","- C49 H29 B Fe N10 -","- C392 H232 B8 Fe8 N80 -","8","2","","Muñoz, Alberto Viñas; Gotfredsen, Henrik; Jevric, Martyn; Kadziola, Anders; Hammerich, Ole; Nielsen, Mogens Brøndsted","Synthesis and Properties of Subphthalocyanine-Tetracyanobutadiene-Ferrocene Triads.","The Journal of organic chemistry","2018","83","4","2227","2234","10.1021/acs.joc.7b03122","","","0.71073","MoKα","","0.1386","0.1024","","","0.2165","0.2348","","","","","","1.095","","","","has coordinates","227548","2020-10-21","18:00:00",""
"4033512","10.098","0.004","13.103","0.005","14.443","0.005","90","","90","","90","","1911","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Hunter, Arianne C.; Schlitzer, Steven C.; Stevens, Joseph C.; Almutwalli, Bilal; Sharma, Indrajeet","A Convergent Approach to Diverse Spiroethers through Stereoselective Trapping of Rhodium Carbenoids with Gold-Activated Alkynols.","The Journal of organic chemistry","2018","83","5","2744","2752","10.1021/acs.joc.7b03196","","","0.71073","MoKα","","0.0994","0.0514","","","0.1174","0.1478","","","","","","1.027","","","","has coordinates","227519","2020-10-21","18:00:00",""
"4033513","11.441","0.0012","14.034","0.002","15.161","0.0018","85.082","0.007","81.85","0.007","69.799","0.007","2259.7","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H55 Cl3 Cs N8 O5.5 -","- C42 H53.5 Cl3 Cs N8 O5.5 -","- C84 H107 Cl6 Cs2 N16 O11 -","2","1","","Kim, Seung Hyeon; Lee, Juhoon; Vargas-Zúñiga, Gabriela I; Lynch, Vincent M.; Hay, Benjamin P.; Sessler, Jonathan L.; Kim, Sung Kuk","Pyrrole- and Naphthobipyrrole-Strapped Calix[4]pyrroles as Azide Anion Receptors.","The Journal of organic chemistry","2018","83","5","2686","2693","10.1021/acs.joc.7b03135","","","0.71075","MoKα","","0.1399","0.0808","","","0.1699","0.1942","","","","","","1.468","","","","has coordinates,has disorder","227520","2020-10-21","18:00:00",""
"4033514","10.2117","0.001","9.0778","0.0007","10.8267","0.0012","90","","104.155","0.01","90","","973.16","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 Br N2 O6 -","- C19 H21 Br N2 O6 -","- C38 H42 Br2 N4 O12 -","2","1","","Jia, Zhi-Jun; Takayama, Hiroshi; Futamura, Yushi; Aono, Harumi; Bauer, Jonathan O.; Strohmann, Carsten; Antonchick, Andrey P.; Osada, Hiroyuki; Waldmann, Herbert","Catalytic Enantioselective Synthesis of a Pyrrolizidine-Alkaloid-Inspired Compound Collection with Antiplasmodial Activity.","The Journal of organic chemistry","2018","83","13","7033","7041","10.1021/acs.joc.7b03202","","","0.71073","MoKα","","0.0914","0.0454","","","0.0532","0.0559","","","","","","1.003","","","","has coordinates","227584","2020-10-21","18:00:00",""
"4033515","7.052","0.0005","22.3291","0.0013","27.6452","0.0017","90","","90","","90","","4353.1","0.5","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N3 O6 S -","- C21 H20.5 Br N3 O6 S -","- C168 H164 Br8 N24 O48 S8 -","8","2","","Zhang, Jun-Qi; Tong, Feifei; Sun, Bing-Bing; Fan, Wei-Tai; Chen, Jun-Bo; Hu, Dandan; Wang, Xing-Wang","Pd-Catalyzed Asymmetric Dearomative Cycloaddition for Construction of Optically Active Pyrroloindoline and Cyclopentaindoline Derivatives: Access to 3a-Aminopyrroloindolines.","The Journal of organic chemistry","2018","83","5","2882","2891","10.1021/acs.joc.8b00046","","","0.71073","MoKα","","0.0724","0.0486","","","0.0964","0.1244","","","","","","1.071","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4033516","6.776","0.002","10.643","0.003","11.371","0.004","90.537","0.011","106.826","0.009","94.317","0.008","782.3","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Yang, Jianguo; Mo, Hanjie; Jin, Xiuxiu; Cao, Dongdong; Wu, Haijian; Chen, Di; Wang, Zhiming","Vinylogous Elimination/Heck Coupling/Allylation Domino Reactions: Access to 2-Substituted 2,3-Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2018","83","5","2592","2600","10.1021/acs.joc.7b02986","","","0.71073","MoKα","","0.1633","0.0586","","","0.1347","0.2079","","","","","","0.875","","","","has coordinates","227523","2020-10-21","18:00:00",""
"4033517","14.0516","0.001","12.5217","0.0009","15.0866","0.0011","90","","117.487","0.001","90","","2354.8","0.3","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br N O4 S -","- C26 H24 Br N O4 S -","- C104 H96 Br4 N4 O16 S4 -","4","1","","Yang, Jianguo; Mo, Hanjie; Jin, Xiuxiu; Cao, Dongdong; Wu, Haijian; Chen, Di; Wang, Zhiming","Vinylogous Elimination/Heck Coupling/Allylation Domino Reactions: Access to 2-Substituted 2,3-Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2018","83","5","2592","2600","10.1021/acs.joc.7b02986","","","0.71073","MoKα","","0.052","0.033","","","0.0748","0.0815","","","","","","1.005","","","","has coordinates","227523","2020-10-21","18:00:00",""
"4033518","15.4536","0.0015","12.9941","0.0012","24.233","0.002","90","","90","","90","","4866.1","0.8","130","","130","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C224 H216 N8 O40 S8 -","8","1","","Yang, Jianguo; Mo, Hanjie; Jin, Xiuxiu; Cao, Dongdong; Wu, Haijian; Chen, Di; Wang, Zhiming","Vinylogous Elimination/Heck Coupling/Allylation Domino Reactions: Access to 2-Substituted 2,3-Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2018","83","5","2592","2600","10.1021/acs.joc.7b02986","","","0.71073","MoKα","","0.0817","0.0486","","","0.103","0.1182","","","","","","1.009","","","","has coordinates","227523","2020-10-21","18:00:00",""
"4033519","6.3289","0.0005","14.3422","0.0011","18.7478","0.0015","90","","96.896","0.008","90","","1689.4","0.2","169.9","","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 F2 N2 O3 -","- C20 H16 F2 N2 O3 -","- C80 H64 F8 N8 O12 -","4","1","","Zhang, Pingshun; Pan, Shanfei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Palladium-Catalyzed Sequential Heteroarylation/Acylation Reactions of Iodobenzenes: Synthesis of Functionalized Benzo[ d]oxazoles.","The Journal of organic chemistry","2018","83","6","3354","3360","10.1021/acs.joc.7b03055","","","0.71073","MoKα","","0.0719","0.0477","","","0.111","0.1283","","","","","","1.042","","","","has coordinates","227580","2020-10-21","18:00:00",""
"4033520","6.7171","0.0008","7.6452","0.0009","14.3038","0.0018","100.606","0.004","94.579","0.004","98.384","0.004","709.98","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H10 F4 -","- C22 H10 F4 -","- C44 H20 F8 -","2","1","","Shen, Bin; Geiger, Thomas; Einholz, Ralf; Reicherter, Florian; Schundelmeier, Simon; Maichle-Mössmer, Cäcilia; Speiser, Bernd; Bettinger, Holger F.","Bridging the Gap between Pentacene and Perfluoropentacene: Synthesis and Characterization of 2,3,9,10-Tetrafluoropentacene in the Neutral, Cationic, and Dicationic States.","The Journal of organic chemistry","2018","83","6","3149","3158","10.1021/acs.joc.7b03241","","","0.71073","MoKα","","0.0748","0.0499","","","0.1388","0.1578","","","","","","1.1","","","","has coordinates","227574","2020-10-21","18:00:00",""
"4033521","7.4133","0.0003","11.6571","0.0006","18.6337","0.0009","88.156","0.004","87.588","0.004","77.8","0.004","1572.07","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","2","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","","1.54184","CuKα","","0.0599","0.0439","","","0.1103","0.1224","","","","","","1.022","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4033522","12.8169","0.0005","7.219","0.0003","16.4865","0.0006","90","","99.444","0.004","90","","1504.74","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","x-ray","0.71073","MoKα","","0.0515","0.0408","","","0.0951","0.1028","","","","","","1.046","","","","has coordinates","227578","2020-10-21","18:00:00",""
"4033523","5.7571","0.0004","18.4857","0.0013","17.589","0.0013","90","","94.41","0.004","90","","1866.4","0.2","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F2 N O -","- C25 H19 F2 N O -","- C100 H76 F8 N4 O4 -","4","1","","Nguyen, Alex L.; Khatri, Hari R.; Woods, James R.; Baldwin, Cassidy S.; Fronczek, Frank R.; Colby, David A.","Magnesium-Promoted Additions of Difluoroenolates to Unactivated Imines.","The Journal of organic chemistry","2018","83","6","3109","3118","10.1021/acs.joc.7b03014","","","0.71073","MoKα","","0.1046","0.0572","","","0.1211","0.1384","","","","","","1.037","","","","has coordinates","227582","2020-10-21","18:00:00",""
"4033524","5.6561","0.0003","9.7402","0.0004","19.2384","0.0009","102.673","0.003","96.75","0.003","97.299","0.003","1014.03","0.08","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 F2 N O2 -","- C26 H21 F2 N O2 -","- C52 H42 F4 N2 O4 -","2","1","","Nguyen, Alex L.; Khatri, Hari R.; Woods, James R.; Baldwin, Cassidy S.; Fronczek, Frank R.; Colby, David A.","Magnesium-Promoted Additions of Difluoroenolates to Unactivated Imines.","The Journal of organic chemistry","2018","83","6","3109","3118","10.1021/acs.joc.7b03014","","","0.71073","MoKα","","0.0724","0.0507","","","0.1258","0.139","","","","","","1.038","","","","has coordinates,has disorder","227582","2020-10-21","18:00:00",""
"4033525","12.5464","0.00016","7.0703","0.0001","15.098","0.0002","90","","105.623","0.0005","90","","1289.81","0.03","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Gouthami, Pashikanti; Chavan, Lahu N.; Chegondi, Rambabu; Chandrasekhar, Srivari","Syntheses of 2-Aroyl Benzofurans through Cascade Annulation on Arynes.","The Journal of organic chemistry","2018","83","6","3325","3332","10.1021/acs.joc.8b00360","","","0.71073","MoKα","","0.0655","0.05","","","0.1351","0.1456","","","","","","1.06","","","","has coordinates","227573","2020-10-21","18:00:00",""
"4033526","5.364","0.0002","10.4478","0.0003","19.1395","0.0006","90","","90","","90","","1072.62","0.06","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O7 -","- C10 H8 N2 O7 -","- C40 H32 N8 O28 -","4","1","","Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Synthesis of Vicinal Dichlorides via Activation of Aliphatic Terminal Epoxides with Triphosgene and Pyridine.","The Journal of organic chemistry","2018","83","6","3367","3377","10.1021/acs.joc.7b03197","","","1.54184","CuKα","","0.0225","0.0224","","","0.0582","0.0584","","","","","","1.081","","","","has coordinates","227576","2020-10-21","18:00:00",""
"4033527","11.508","0.004","9.58","0.004","23.335","0.009","90","","101.596","0.006","90","","2520.1","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Br O4 S -","- C29 H25 Br O4 S -","- C116 H100 Br4 O16 S4 -","4","1","","Wang, Miao; Tang, Bo-Cheng; Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","C(sp<sup>3</sup>)-H Bond Functionalization of Benzo[ c]oxepines via C-O bond Cleavage: Formal [3+3] Synthesis of Multisubstituted Chromans.","The Journal of organic chemistry","2018","83","6","3409","3416","10.1021/acs.joc.8b00126","","","0.71073","MoKα","","0.0899","0.0609","","","0.1625","0.1951","","","","","","0.825","","","","has coordinates","227579","2020-10-21","18:00:00",""
"4033528","8.6534","0.0011","20.771","0.003","11.3478","0.0014","90","","93.146","0.002","90","","2036.6","0.5","324","2","324","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O5 -","- C25 H22 O5 -","- C100 H88 O20 -","4","1","","Wang, Miao; Tang, Bo-Cheng; Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","C(sp<sup>3</sup>)-H Bond Functionalization of Benzo[ c]oxepines via C-O bond Cleavage: Formal [3+3] Synthesis of Multisubstituted Chromans.","The Journal of organic chemistry","2018","83","6","3409","3416","10.1021/acs.joc.8b00126","","","0.71073","MoKα","","0.0464","0.0425","","","0.1202","0.1238","","","","","","1.048","","","","has coordinates","227579","2020-10-21","18:00:00",""
"4033529","6.0477","0.0003","7.596","0.0004","20.0487","0.0011","90","","90","","90","","921","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,3aR,4R,9aS)-hexahydro-2H-3,4-methanofuro[2,3-c]oxocine-2,1(3H)-dione","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Xin, Yangchun; Rodríguez-Santiago, Luís; Sodupe, Mariona; Álvarez-Larena, Angel; Busqué, Félix; Alibés, Ramon","Intramolecular Photocycloaddition of 2(5 H)-Furanones to Temporarily Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.","The Journal of organic chemistry","2018","83","6","3188","3199","10.1021/acs.joc.8b00088","","","0.71073","MoKα","","0.0395","0.0382","","","0.0998","0.1011","","","","","","1.073","","","","has coordinates","227581","2020-10-21","18:00:00",""
"4033530","27.1507","0.0002","19.4075","0.00015","29.45","0.0002","90","","106.74","0.0008","90","","14860.3","0.2","123","","123","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C171 H156 N6 O6 P6 Pd3 -","- C171 H156 N6 O6 P6 Pd3 -","- C342 H312 N12 O12 P12 Pd6 -","2","0.5","","Abe, Hajime; Hashikawa, Daisuke; Minami, Takaya; Ohtani, Kohei; Masuda, Kentaro; Matsumoto, Shinya; Inouye, Masahiko","Hexaphenolic Rigid Cages Prepared by Self-Organization of C<sub>3 v</sub> Tridentates.","The Journal of organic chemistry","2018","83","6","3132","3141","10.1021/acs.joc.7b03111","","","1.54187","CuKα","","0.0807","0.0729","","","0.192","0.1978","","","","","","1.026","","","","has coordinates","227570","2020-10-21","18:00:00",""
"4033531","13.468","0.005","6.456","0.002","16.345","0.006","90","","109.155","0.006","90","","1342.5","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 -","- C15 H16 N4 -","- C60 H64 N16 -","4","1","","Gupta, Sonu; Chandna, Nisha; Singh, Ajai K.; Jain, Nidhi","Regioselective Synthesis of N<sup>2</sup>-Alkylated-1,2,3 Triazoles and N<sup>1</sup>-Alkylated Benzotriazoles: Cu<sub>2</sub>S as a Recyclable Nanocatalyst for Oxidative Amination of N, N-Dimethylbenzylamines.","The Journal of organic chemistry","2018","83","6","3226","3235","10.1021/acs.joc.8b00107","","","0.71073","MoKα","","0.0835","0.0653","","","0.1702","0.18","","","","","","1.146","","","","has coordinates","227572","2020-10-21","18:00:00",""
"4033532","9.62","0.03","5.811","0.016","28.8","0.07","90","","98.02","0.04","90","","1594","8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N4 -","- C17 H17 Br N4 -","- C68 H68 Br4 N16 -","4","2","","Gupta, Sonu; Chandna, Nisha; Singh, Ajai K.; Jain, Nidhi","Regioselective Synthesis of N<sup>2</sup>-Alkylated-1,2,3 Triazoles and N<sup>1</sup>-Alkylated Benzotriazoles: Cu<sub>2</sub>S as a Recyclable Nanocatalyst for Oxidative Amination of N, N-Dimethylbenzylamines.","The Journal of organic chemistry","2018","83","6","3226","3235","10.1021/acs.joc.8b00107","","","0.71073","MoKα","","0.1851","0.0916","","","0.197","0.2383","","","","","","1.038","","","","has coordinates","227572","2020-10-21","18:00:00",""
"4033533","11.659","0.003","16.597","0.004","12.868","0.003","90","","115.964","0.003","90","","2238.7","0.9","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N Se -","- C27 H27 N Se -","- C108 H108 N4 Se4 -","4","1","","Shibahara, Fumitoshi; Suzuki, Masafumi; Kubota, Saki; Fukunaga, Tomoki; Udagawa, Taro; Murai, Toshiaki","Selenolactams as Synthetic Intermediates for the Synthesis of Polycyclic Amines via Seleno-Claisen Rearrangements.","The Journal of organic chemistry","2018","83","6","3078","3089","10.1021/acs.joc.8b00306","","","0.71075","MoKα","","0.0561","0.0423","","","0.1052","0.1145","","","","","","1.05","","","","has coordinates","227575","2020-10-21","18:00:00",""
"4033534","12.3134","0.0004","17.4067","0.0005","21.6601","0.0007","90","","105.877","0.003","90","","4465.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 N14 O4 -","- C36 H50 N14 O4 -","- C144 H200 N56 O16 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.098","0.0674","","","0.173","0.1914","","","","","","1.063","","","","has coordinates,has disorder","227577","2020-10-21","18:00:00",""
"4033535","18.14","0.007","11.74","0.004","18.675","0.007","90","","118.992","0.006","90","","3479","2","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl2 N11 O8 -","- C28 H27 Cl2 N11 O8 -","- C112 H108 Cl8 N44 O32 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.113","0.0959","","","0.1928","0.2018","","","","","","1.225","","","","has coordinates","227577","2020-10-21","18:00:00",""
"4033536","13.9437","0.0007","15.3663","0.0009","18.6515","0.0013","90","","90.378","0.004","90","","3996.2","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl2 N10 O8 -","- C31 H32 Cl2 N10 O8 -","- C124 H128 Cl8 N40 O32 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.0993","0.0896","","","0.2221","0.2285","","","","","","1.215","","","","has coordinates","227577","2020-10-21","18:00:00",""
"4033537","17.878","0.004","11.555","0.002","18.777","0.004","90","","118.16","0.03","90","","3419.8","1.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl2 N11 O6 -","- C29 H27 Cl2 N11 O6 -","- C116 H108 Cl8 N44 O24 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.084","0.0786","","","0.2105","0.2159","","","","","","1.105","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4033538","9.235","0.0019","9.804","0.002","9.895","0.002","100.762","0.002","91.839","0.002","103.357","0.002","853.7","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 O4 S -","- C20 H14 N2 O4 S -","- C40 H28 N4 O8 S2 -","2","1","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0388","0.0338","","","0.0908","0.0969","","","","","","1.056","","","","has coordinates","227590","2020-10-21","18:00:00",""
"4033539","29.379","0.017","33.67","0.02","11.409","0.011","90","","90","","90","","11286","14","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36.12 H35.25 Cl0.25 N -","- C36.125 H35.25 Cl0.25 N -","- C578 H564 Cl4 N16 -","16","2","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.1152","0.0565","","","0.1112","0.1326","","","","","","1.009","","","","has coordinates,has disorder","227594","2020-10-21","18:00:00",""
"4033540","6.3525","0.0003","14.6783","0.001","20.3136","0.0014","90","","90","","90","","1894.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.5418","CuKα","","0.0584","0.0492","","","0.1294","0.1424","","","","","","0.913","","","","has coordinates","227599","2020-10-21","18:00:00",""
"4033541","11.8743","0.0002","11.8743","0.0002","11.5602","0.0002","90","","90","","120","","1411.6","0.04","100","1","100","1","","","","","","","","3","P 32","P 32","145","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C63 H96 O9 -","3","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.54184","CuKα","","0.0408","0.0406","","","0.1142","0.1144","","","","","","1.149","","","","has coordinates","227599","2020-10-21","18:00:00",""
"4033542","9.9548","0.0005","11.4972","0.0006","20.4597","0.0009","82.019","0.004","77.797","0.004","70.07","0.005","2146","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","2","","Wang, Qiqi; Zhang, Lianpeng; Yao, Jinzhong; Qiu, Guanyinsheng; Li, Xiaofang; Zhou, Hongwei","Silver-Catalyzed Stereoselective Cyclization to Polysubstituted ( Z)-1,2-Dihydrobenzo[ cd]indoles.","The Journal of organic chemistry","2018","83","7","4092","4098","10.1021/acs.joc.7b03257","","x-ray","1.54184","CuKα","","0.0538","0.0437","","","0.1194","0.1323","","","","","","1.022","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4033543","7.6561","0.0004","20.7843","0.001","22.6355","0.0012","90","","90","","90","","3601.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 O8 -","- C42 H42 O8 -","- C168 H168 O32 -","4","1","","Wang, Yong; Liu, Miao; Liu, Lei; Xia, Jian-Hui; Du, Yu-Guo; Sun, Jian-Song","The Structural Revision and Total Synthesis of Carambolaflavone A.","The Journal of organic chemistry","2018","83","7","4111","4118","10.1021/acs.joc.8b00008","","","0.71073","MoKα","","0.0786","0.0542","","","0.1205","0.1332","","","","","","1.042","","","","has coordinates","227589","2020-10-21","18:00:00",""
"4033544","8.3909","0.0002","8.3286","0.0002","12.4602","0.0003","90","","93.482","0.002","90","","869.17","0.04","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Derosa, Joseph; O'Duill, Miriam L; Holcomb, Matthew; Boulous, Mark N.; Patman, Ryan L.; Wang, Fen; Tran-Dubé, Michelle; McAlpine, Indrawan; Engle, Keary M.","Copper-Catalyzed Chan-Lam Cyclopropylation of Phenols and Azaheterocycles.","The Journal of organic chemistry","2018","83","7","3417","3425","10.1021/acs.joc.7b03100","","x-ray","0.71073","MoKα","","0.0387","0.0347","","","0.0932","0.097","","","","","","1.062","","","","has coordinates","227593","2020-10-21","18:00:00",""
"4033545","10.338","0.004","11.016","0.006","22.351","0.009","88.2","0.04","77.272","0.017","86.4","0.03","2477.6","1.9","123","2","123","2","","","","","","","","2","P -1","-P 1","2","","","","- C70 H52 -","- C70 H52 -","- C140 H104 -","2","1","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","1.54187","CuKα","","0.164","0.097","","","0.2484","0.3214","","","","","","1.014","","","","has coordinates,has disorder","227595","2020-10-21","18:00:00",""
"4033546","8.427","0.002","11.446","0.003","19.827","0.005","105.602","0.004","98.716","0.004","94.253","0.004","1807.4","0.8","173","2","173.15","","","","","","","","","2","P -1","-P 1","2","","biphenyl","","- C47 H36 -","- C47 H36 -","- C94 H72 -","2","1","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","0.71073","MoKα","","0.1762","0.0785","","","0.2076","0.2517","","","","","","0.862","","","","has coordinates,has disorder","227595","2020-10-21","18:00:00",""
"4033547","13.3967","0.0005","8.2622","0.0003","19.1027","0.0006","90","","110.429","0.0014","90","","1981.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Tamizmani, Masilamani; Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Redox-Free [3 + 2] Cycloaddition of N-Sulfonyl Aromatic Aldimines with Maleimides.","The Journal of organic chemistry","2018","83","7","3746","3755","10.1021/acs.joc.8b00102","","","0.71073","MoKα","","0.0498","0.0395","","","0.0927","0.1005","","","","","","1.027","","","","has coordinates","227600","2020-10-21","18:00:00",""
"4033548","14.5065","0.0006","15.758","0.0007","19.4","0.0007","91.379","0.003","98.913","0.003","90.225","0.003","4379.8","0.3","180","2","180.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 O9 Si2 -","- C42 H62 O9 Si2 -","- C168 H248 O36 Si8 -","4","2","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","0.71073","MoKα","","0.111","0.0892","","","0.2589","0.2753","","","","","","1.041","","","","has coordinates,has disorder","227586","2020-10-21","18:00:00",""
"4033549","10.0742","0.0007","10.3625","0.0008","14.4143","0.0011","79.532","0.004","78.546","0.004","89.614","0.005","1449.58","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","2","","Annamalai, Pratheepkumar; Hsu, Kou-Chi; Raju, Selvam; Hsiao, Huan-Chang; Chou, Chih-Wei; Lin, Gu-Ying; Hsieh, Cheng-Ming; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium(II)-Catalyzed Mono- and Bis-alkenylation of N-Acetyl-2-aminobiaryls through Regioselective C-H Bond Activation.","The Journal of organic chemistry","2018","83","7","3840","3856","10.1021/acs.joc.8b00194","","","0.71073","MoKα","","0.1","0.0727","","","0.1869","0.2257","","","","","","1.034","","","","has coordinates","227602","2020-10-21","18:00:00",""
"4033550","6.9222","0.0002","11.147","0.0004","10.4409","0.0004","90","","94.07","0.002","90","","803.61","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0538","0.0445","","","0.1109","0.1198","","","","","","1.067","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033551","8.2576","0.0003","10.4049","0.0004","19.0995","0.0008","90","","90","","90","","1641.02","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0613","0.0442","","","0.1107","0.1176","","","","","","1.06","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033552","7.6137","0.0004","9.3584","0.0005","24.1592","0.0013","90","","90","","90","","1721.39","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br O5 -","- C19 H23 Br O5 -","- C76 H92 Br4 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0297","0.0251","","","0.0613","0.0625","","","","","","1.035","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033553","5.6498","0.0004","15.0191","0.0009","25.5231","0.0017","90","","90","","90","","2165.8","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O5 S -","- C27 H21 N O5 S -","- C108 H84 N4 O20 S4 -","4","1","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.128","0.0742","","","0.1213","0.1386","","","","","","1","","","","has coordinates","227592","2020-10-21","18:00:00",""
"4033554","5.65","0.0007","13.3279","0.0015","28.334","0.003","90","","90","","90","","2133.6","0.4","296","1","296","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N O5 S -","- C23 H18 Br N O5 S -","- C92 H72 Br4 N4 O20 S4 -","4","1","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.0602","0.0403","","","0.0869","0.0949","","","","","","1.024","","","","has coordinates","227592","2020-10-21","18:00:00",""
"4033555","7.062","0.002","11.037","0.003","18.156","0.005","98.757","0.004","100.531","0.005","99.852","0.005","1346","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Br N7 O9 -","- C26 H22 Br N7 O9 -","- C52 H44 Br2 N14 O18 -","2","1","","Luan, Lin-Bo; Song, Zi-Jie; Li, Zhi-Ming; Wang, Quan-Rui; Wang, Jing-Mei","Synthesis of Triazolodiazepinium Salts: Sequential [3<sup>+</sup>+2] Cycloaddition/Rearrangement Reaction of 1-Aza-2-azoniaallenium Cation Intermediates Generated from Piperidin-4-ones.","The Journal of organic chemistry","2018","83","7","3441","3452","10.1021/acs.joc.7b02742","","","0.71073","MoKα","","0.1183","0.0828","","","0.2486","0.3063","","","","","","1.215","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033556","7.486","0.0002","5.6312","0.0002","15.5148","0.0004","90","","101.298","0.002","90","","641.35","0.03","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Jin, Yushu; Makida, Yusuke; Uchida, Tatsuya; Kuwano, Ryoichi","Ruthenium-Catalyzed Chemo- and Enantioselective Hydrogenation of Isoquinoline Carbocycles.","The Journal of organic chemistry","2018","83","7","3829","3839","10.1021/acs.joc.8b00190","","","1.54187","CuKα","","0.0422","0.0337","","","0.0779","0.0919","","","","","","1.093","","","","has coordinates","227591","2020-10-21","18:00:00",""
"4033557","8.3043","0.0007","22.819","0.0016","15.8252","0.0012","90","","102.756","0.004","90","","2924.8","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H37 N O4 S Si -","- C29 H37 N O4 S Si -","- C116 H148 N4 O16 S4 Si4 -","4","2","","Schmidt, Michael A.; Simmons, Eric M.; Wei, Carolyn S.; Park, Hyunsoo; Eastgate, Martin D.","An Enantioselective Total Synthesis of (+)-Duocarmycin SA.","The Journal of organic chemistry","2018","83","7","3928","3940","10.1021/acs.joc.8b00285","","x-ray","1.54178","CuKα","","0.0647","0.0609","","","0.1644","0.1698","","","","","","1.041","","","","has coordinates","227603","2020-10-21","18:00:00",""
"4033558","12.2955","0.0005","14.6854","0.0006","12.69","0.0006","90","","91.462","0.002","90","","2290.62","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N3 O7 -","- C25 H23 N3 O7 -","- C100 H92 N12 O28 -","4","2","","Schmidt, Michael A.; Simmons, Eric M.; Wei, Carolyn S.; Park, Hyunsoo; Eastgate, Martin D.","An Enantioselective Total Synthesis of (+)-Duocarmycin SA.","The Journal of organic chemistry","2018","83","7","3928","3940","10.1021/acs.joc.8b00285","","x-ray","1.54178","CuKα","","0.0732","0.0546","","","0.1344","0.1496","","","","","","1.034","","","","has coordinates","227603","2020-10-21","18:00:00",""
"4033559","16.3548","0.0013","17.6188","0.0008","19.186","0.002","90","","114.775","0.011","90","","5019.6","0.8","292.84","0.1","292.84","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H68 N2 -","- C64 H68 N2 -","- C256 H272 N8 -","4","1","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","x-ray","0.71073","MoKα","","0.2261","0.085","","","0.1599","0.2327","","","","","","0.949","","","","has coordinates","227588","2020-10-21","18:00:00",""
"4034714","5.8139","0.0001","13.3695","0.0002","12.326","0.0001","90","","91.911","0.001","90","","957.55","0.02","297.01","0.1","297.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N2 O5 -","- C21 H19 N2 O5 -","- C42 H38 N4 O10 -","2","1","","Qin, Tao; Li, Jian-Ping; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Synthesis of Chiral Acyclic Nucleosides by Sharpless Asymmetric Dihydroxylation: Access to Cidofovir and Buciclovir.","The Journal of organic chemistry","2018","83","24","15512","15523","10.1021/acs.joc.8b02442","","x-ray","1.54184","CuKα","","0.0423","0.0391","","","0.1028","0.1049","","","","","","1.052","","","","has coordinates","226243","2020-10-21","18:00:00",""
"4034715","23.3389","0.0003","15.1799","0.0002","42.3532","0.0006","90","","102.714","0.002","90","","14637.1","0.4","298.3","1","298.3","1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C22 H31 N5 O3 Si -","- C21.5 H28.5 N5 O3 Si -","- C344 H456 N80 O48 Si16 -","16","4","","Qin, Tao; Li, Jian-Ping; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Synthesis of Chiral Acyclic Nucleosides by Sharpless Asymmetric Dihydroxylation: Access to Cidofovir and Buciclovir.","The Journal of organic chemistry","2018","83","24","15512","15523","10.1021/acs.joc.8b02442","","x-ray","1.54184","CuKα","","0.1005","0.0872","","","0.275","0.3009","","","","","","1.004","","","","has coordinates","226244","2020-10-21","18:00:00",""
"4034716","6.9849","0.0002","13.9288","0.0004","18.099","0.0006","90","","90","","90","","1760.87","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 N2 O2 -","- C18 H16 Br2 N2 O2 -","- C72 H64 Br8 N8 O8 -","4","1","","Guo, Lin-E; Hong, Yuan; Zhang, Shu-Ying; Zhang, Miao; Yan, Xiao-Sheng; Cao, Jin-Lian; Li, Zhao; James, Tony D.; Jiang, Yun-Bao","Proline-Based Boronic Acid Receptors for Chiral Recognition of Glucose.","The Journal of organic chemistry","2018","83","24","15128","15135","10.1021/acs.joc.8b02425","","","1.54178","CuKα","","0.0462","0.0435","","","0.1133","0.1167","","","","","","1.058","","","","has coordinates","226245","2020-10-21","18:00:00",""
"4034717","9.625","0.002","11.22","0.003","12.37","0.003","105.068","0.01","103.743","0.009","112.523","0.009","1103.2","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N2 -","- C30 H22 N2 -","- C60 H44 N4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0507","0.0413","","","0.1014","0.1067","","","","","","1.045","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034718","10.0035","0.0006","13.0323","0.0009","13.1608","0.0008","108.315","0.002","107.297","0.002","100.516","0.002","1481.36","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 Cl2 N2 -","- C35 H29 Cl2 N2 -","- C70 H58 Cl4 N4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0985","0.0853","","","0.227","0.2383","","","","","","1.055","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034719","21.1443","0.0009","14.1022","0.0006","15.9946","0.0007","90","","110.27","0.001","90","","4473.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C248 H176 N16 -","8","2","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0711","0.0553","","","0.1712","0.1982","","","","","","0.716","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034720","15.9963","0.0008","15.7038","0.001","13.4664","0.0006","90","","97.196","0.005","90","","3356.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N2 O2 S -","- C40 H36 N2 O2 S -","- C160 H144 N8 O8 S4 -","4","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","1.54184","CuKα","","0.0969","0.0567","","","0.1308","0.1606","","","","","","0.997","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034721","8.7173","0.0004","11.0589","0.0005","13.363","0.0006","84.109","0.001","86.375","0.002","78.641","0.001","1255.12","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N2 O2 S2 -","- C30 H24 N2 O2 S2 -","- C60 H48 N4 O4 S4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0759","0.063","","","0.1792","0.1898","","","","","","1.033","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034722","10.7608","0.0015","11.6326","0.0016","11.9031","0.0016","83.679","0.011","67.103","0.013","65.229","0.014","1243.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O2 -","- C32 H26 N2 O2 -","- C64 H52 N4 O4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","1.54184","CuKα","","0.1308","0.0673","","","0.1322","0.1796","","","","","","1.032","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034723","14.5928","0.0011","8.432","0.0005","25.9668","0.0019","90","","102.539","0.002","90","","3118.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N O4 S -","- C36 H31 N O4 S -","- C144 H124 N4 O16 S4 -","4","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.1746","0.0712","","","0.1193","0.1456","","","","","","1.018","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034724","6.4112","0.0012","8.4234","0.0015","27.491","0.005","90","","90","","90","","1484.6","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Rajesh, Manda; Singam, Maneesh Kumar Reddy; Puri, Surendra; Balasubramanian, Sridhar; Sridhar Reddy, Maddi","Nickel Catalyzed syn-Selective Aryl Nickelation and Cyclization of Aldehyde/Enone-Tethered Terminal Alkynes with Arylboronic Acids.","The Journal of organic chemistry","2018","83","24","15361","15371","10.1021/acs.joc.8b02618","","","0.71073","MoKα","","0.0423","0.0378","","","0.1004","0.1038","","","","","","1.021","","","","has coordinates","226247","2020-10-21","18:00:00",""
"4034725","7.1796","0.0006","7.6864","0.0006","14.4003","0.001","101.655","0.006","95.515","0.006","113.279","0.008","701.13","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H8 Br2 N2 -","- C15 H8 Br2 N2 -","- C30 H16 Br4 N4 -","2","1","","Wang, Manman; Hou, Jiao; Yu, Wenquan; Chang, Junbiao","Synthesis of 2 H-Azirines via Iodine-Mediated Oxidative Cyclization of Enamines.","The Journal of organic chemistry","2018","83","24","14954","14961","10.1021/acs.joc.8b02022","","x-ray","0.71073","MoKα","","0.0823","0.0457","","","0.0811","0.0954","","","","","","1.013","","","","has coordinates","226248","2020-10-21","18:00:00",""
"4034726","9.663","0.003","14.733","0.004","17.972","0.005","90","","90","","90","","2558.6","1.3","296.15","","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H9 N O2 S2 -","- C12 H9 N O2 S2 -","- C96 H72 N8 O16 S16 -","8","1","","Hu, Biao; Zhou, Pan; Zhang, Qiaohe; Wang, Yanqin; Zhao, Siyun; Lu, Lingling; Yan, Shengjiao; Yu, Fuchao","Metal-Free Oxidative Thioesterification of Methyl Ketones with Thiols/Disulfides for the Synthesis of α-Ketothioesters.","The Journal of organic chemistry","2018","83","24","14978","14986","10.1021/acs.joc.8b02235","","","0.71073","MoKα","","0.0506","0.0389","","","0.098","0.1077","","","","","","1.043","","","","has coordinates,has disorder","226249","2020-10-21","18:00:00",""
"4034727","18.3985","0.0009","5.7117","0.0002","13.6214","0.0006","90","","106.615","0.001","90","","1371.66","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C64 H52 N12 O8 -","4","1","","Fernandes, Fábio S; Rodrigues, Jr, Manoel T; Zeoly, Lucas A.; Conti, Caroline; Angolini, Célio F F; Eberlin, Marcos Nogueira; Coelho, Fernando","Vinyl-1,2,4-oxadiazoles Behave as Nucleophilic Partners in Morita-Baylis-Hillman Reactions.","The Journal of organic chemistry","2018","83","24","15118","15127","10.1021/acs.joc.8b02402","","","0.71073","MoKα","","0.0556","0.0412","","","0.0993","0.1107","","","","","","1.0608","","","","has coordinates","226250","2020-10-21","18:00:00",""
"4034728","11.472","0.0005","17.9909","0.0009","24.4226","0.0012","90","","90","","90","","5040.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O6 -","- C29 H32 O6 -","- C232 H256 O48 -","8","1","","Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.","The Journal of organic chemistry","2018","83","24","14987","14998","10.1021/acs.joc.8b02244","","","0.71073","MoKα","","0.1097","0.0637","","","0.1802","0.2284","","","","","","0.966","","","","has coordinates","226251","2020-10-21","18:00:00",""
"4034729","12.2759","0.0007","11.3397","0.0006","17.9816","0.001","90","","103.251","0.003","90","","2436.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O6 -","- C28 H30 O6 -","- C112 H120 O24 -","4","1","","Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.","The Journal of organic chemistry","2018","83","24","14987","14998","10.1021/acs.joc.8b02244","","","0.71073","MoKα","","0.0703","0.0521","","","0.1435","0.159","","","","","","1.084","","","","has coordinates","226252","2020-10-21","18:00:00",""
"4034730","7.3532","0.0013","12.219","0.002","15.266","0.003","97.16","0.012","90.233","0.011","90.152","0.012","1360.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","2","","Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.","The Journal of organic chemistry","2018","83","24","14987","14998","10.1021/acs.joc.8b02244","","","0.71073","MoKα","","0.0919","0.052","","","0.1419","0.1732","","","","","","0.954","","","","has coordinates","226253","2020-10-21","18:00:00",""
"4034731","22.2566","0.0014","5.727","0.0003","19.7415","0.0014","90","","107.042","0.007","90","","2405.8","0.3","145","2","145","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","0.5","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.0493","0.0433","","","0.1091","0.1138","","","","","","1.053","","","","has coordinates","226254","2020-10-21","18:00:00",""
"4034732","9.5738","0.0002","7.0069","0.0002","18.4103","0.0004","90","","102.979","0.001","90","","1203.46","0.05","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 O6 -","- C32 H26 O6 -","- C64 H52 O12 -","2","0.5","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.0429","0.0358","","","0.086","0.091","","","","","","1.043","","","","has coordinates","226255","2020-10-21","18:00:00",""
"4034733","7.1205","0.0012","12.529","0.002","15.466","0.003","78.066","0.011","78.089","0.011","78.347","0.01","1302.5","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O6 -","- C32 H26 O6 -","- C64 H52 O12 -","2","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.1145","0.0546","","","0.1293","0.1592","","","","","","1.011","","","","has coordinates","226256","2020-10-21","18:00:00",""
"4034734","12.2607","0.0003","12.6818","0.0002","22.525","0.0007","90","","95.797","0.002","90","","3484.45","0.15","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 N3 O7 S -","- C39 H37 N3 O7 S -","- C156 H148 N12 O28 S4 -","4","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","1.54184","CuKα","","0.0527","0.0405","","","0.1003","0.1096","","","","","","1.024","","","","has coordinates","226257","2020-10-21","18:00:00",""
"4034735","15.8188","0.0003","10.00924","0.00019","18.044","0.0004","90","","101.411","0.0019","90","","2800.51","0.1","149","1","149","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O4 -","- C35 H36 N2 O4 -","- C140 H144 N8 O16 -","4","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","1.54184","CuKα","","0.0583","0.0516","","","0.1423","0.1478","","","","","","1.042","","","","has coordinates","226258","2020-10-21","18:00:00",""
"4034736","8.2269","0.0003","10.6619","0.0003","14.678","0.0004","86.377","0.002","75.857","0.002","85.172","0.002","1242.81","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O6 -","- C32 H26 O6 -","- C64 H52 O12 -","2","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.0522","0.0391","","","0.0914","0.0997","","","","","","1.014","","","","has coordinates","226259","2020-10-21","18:00:00",""
"4034737","25.0644","0.0008","18.8372","0.0007","13.6807","0.0005","90","","100.82","0.004","90","","6344.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Cl2 N2 O5 -","- C33 H24 Cl2 N2 O5 -","- C264 H192 Cl16 N16 O40 -","8","1","","Marra, Isabellar F. S.; de Almeida, Angelina M.; Silva, Larissa P.; de Castro, Pedro P.; Corrêa, Charlane C; Amarante, Giovanni Wilson","Stereoselective Intermolecular [2 + 2] Cycloadditions of Erlenmeyer-Plöchl Azlactones Using Visible Light Photoredox Catalysis.","The Journal of organic chemistry","2018","83","24","15144","15154","10.1021/acs.joc.8b02430","","x-ray","1.54184","CuKα","","0.0889","0.0675","","","0.1845","0.2117","","","","","","1.066","","","","has coordinates","226260","2020-10-21","18:00:00",""
"4034738","8.41559","0.00015","20.3317","0.0004","21.2577","0.0004","90","","90","","90","","3637.26","0.12","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H15 Cl3 F6 O10 S4 -","- C32 H15 Cl3 F6 O10 S4 -","- C128 H60 Cl12 F24 O40 S16 -","4","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","[1]Benzothiophene-Fused Chiral Spiro Polycyclic Aromatic Compounds: Optical Resolution, Functionalization, and Optical Properties.","The Journal of organic chemistry","2018","83","24","15057","15065","10.1021/acs.joc.8b02301","","","1.54187","CuKα","","0.0423","0.0409","","","0.109","0.1105","","","","","","1.047","","","","has coordinates","226261","2020-10-21","18:00:00",""
"4034739","12.3898","0.0003","8.3356","0.0002","29.3057","0.0006","90","","114.3","0.001","90","","2758.44","0.11","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H164 Cu4 I4 N12 Ni4 O P8 -","- C84 H164 Cu4 I4 N12 Ni4 P8 -","- C84 H164 Cu4 I4 N12 Ni4 P8 -","1","0.25","","Li, Huaifeng; Gonçalves, Théo P; Hu, Jinsong; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; Wang, Zhixiang; Zheng, Junrong; Huang, Kuo-Wei","A Pseudodearomatized PN<sup>3</sup>P*Ni-H Complex as a Ligand and σ-Nucleophilic Catalyst.","The Journal of organic chemistry","2018","83","24","14969","14977","10.1021/acs.joc.8b02205","","","1.54178","CuKα","","0.0639","0.0595","","","0.1523","0.1553","","","","","","1.081","","","","has coordinates","226262","2020-10-21","18:00:00",""
"4034740","5.6204","0.0004","21.5493","0.0012","10.8922","0.0006","90","","98.449","0.002","90","","1304.9","0.14","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 O6 S2 -","- C29 H28 O6 S2 -","- C58 H56 O12 S4 -","2","1","","Song, Wei-Syun; Liu, Si-Xian; Chang, Che-Chien","Synthesis of l-Deoxyribonucleosides from d-Ribose.","The Journal of organic chemistry","2018","83","24","14923","14932","10.1021/acs.joc.8b02002","","","0.71073","MoKα","","0.0282","0.0269","","","0.0644","0.0653","","","","","","1.038","","","","has coordinates","226263","2020-10-21","18:00:00",""
"4034741","6.5102","0.0006","10.6554","0.001","14.2094","0.0013","90","","90","","90","","985.69","0.16","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Li, Chaoran; Yuan, Jingwen; Zhang, Qian; Bhujanga Rao, Chitturi; Zhang, Rui; Zhao, Yanning; Deng, Bicheng; Dong, Dewen","Oxidative Cyclization of β-Aminoacrylamides Mediated by PhIO: Chemoselective Synthesis of Isoxazoles and 2 H-Azirines.","The Journal of organic chemistry","2018","83","24","14999","15008","10.1021/acs.joc.8b02132","","","0.71073","MoKα","","0.0554","0.0447","","","0.1029","0.1099","","","","","","1.029","","","","has coordinates","226264","2020-10-21","18:00:00",""
"4034742","19.403","0.003","5.6089","0.0008","37.416","0.006","90","","104.542","0.002","90","","3941.5","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C208 H176 O32 -","8","1","","Rouh, Hossein; Liu, Yangxue; Katakam, Nandakumar; Pham, Lilian; Zhu, Yi-Long; Li, Guigen","Synthesis of Functionalized Chromene and Chroman Derivatives via Cesium Carbonate Promoted Formal [4 + 2] Annulation of 2'-Hydroxychalcones with Allenoates.","The Journal of organic chemistry","2018","83","24","15372","15379","10.1021/acs.joc.8b02627","","","0.71073","MoKα","","0.0573","0.0401","","","0.0853","0.0927","","","","","","1.053","","","","has coordinates","226265","2020-10-21","18:00:00",""
"4034743","11.8445","0.001","17.0045","0.0014","19.8152","0.0016","90","","90","","90","","3991","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C184 H160 N16 O24 S8 -","8","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0508","0.0379","","","0.0982","0.1115","","","","","","1.054","","","","has coordinates","226266","2020-10-21","18:00:00",""
"4034744","9.987","0.002","11.818","0.002","21.197","0.004","90","","96.944","0.007","90","","2483.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N2 O4 S -","- C29 H24 N2 O4 S -","- C116 H96 N8 O16 S4 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0484","0.0388","","","0.0996","0.1081","","","","","","1.038","","","","has coordinates","226267","2020-10-21","18:00:00",""
"4034745","9.1431","0.0004","10.9188","0.0003","24.715","0.0009","90","","90","","90","","2467.34","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl N2 O3 S -","- C29 H23 Cl N2 O3 S -","- C116 H92 Cl4 N8 O12 S4 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0709","0.0495","","","0.1075","0.12","","","","","","1.074","","","","has coordinates","226268","2020-10-21","18:00:00",""
"4034746","10.8105","0.0003","11.2376","0.0002","11.9765","0.0003","100.257","0.001","114.315","0.001","104.674","0.001","1215.07","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Cl N2 O3 S -","- C29 H23 Cl N2 O3 S -","- C58 H46 Cl2 N4 O6 S2 -","2","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0374","0.0337","","","0.0885","0.0922","","","","","","1.045","","","","has coordinates","226269","2020-10-21","18:00:00",""
"4034747","10.343","0.0012","14.8904","0.0013","17.0572","0.0019","90","","92.282","0.003","90","","2624.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O6 -","- C32 H27 N O6 -","- C128 H108 N4 O24 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.1171","0.0794","","","0.1976","0.2354","","","","","","1.051","","","","has coordinates","226270","2020-10-21","18:00:00",""
"4034748","10.6183","0.0003","11.3107","0.0003","11.6094","0.0003","104.956","0.001","111.862","0.001","104.146","0.001","1156.54","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 O3 S2 -","- C27 H22 N2 O3 S2 -","- C54 H44 N4 O6 S4 -","2","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0425","0.0383","","","0.1043","0.1082","","","","","","1.012","","","","has coordinates","226271","2020-10-21","18:00:00",""
"4034749","7.5699","0.0015","8.2998","0.0015","11.079","0.002","71.037","0.006","72.442","0.006","68.706","0.006","599.9","0.2","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H26 N2 O3 S -","- C30 H26 N2 O3 S -","- C30 H26 N2 O3 S -","1","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0894","0.0717","","","0.1739","0.19","","","","","","1.044","","","","has coordinates","226272","2020-10-21","18:00:00",""
"4034750","8.2947","0.0002","22.2998","0.0006","13.9173","0.0004","90","","100.276","0.001","90","","2532.99","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N2 O3 S -","- C30 H26 N2 O3 S -","- C120 H104 N8 O12 S4 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0536","0.0412","","","0.0918","0.0999","","","","","","1.07","","","","has coordinates","226273","2020-10-21","18:00:00",""
"4034751","10.6301","0.0004","12.319","0.0003","13.3645","0.0005","95.356","0.002","92.661","0.003","96.203","0.002","1729.44","0.1","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","2","","Agirre, Maddalen; Henrion, Sylvain; Rivilla, Ivan; Miranda, José I; Cossío, Fernando P; Carboni, Bertrand; Villalgordo, José M; Carreaux, François","1,3-Dioxa-[3,3]-sigmatropic Oxo-Rearrangement of Substituted Allylic Carbamates: Scope and Mechanistic Studies.","The Journal of organic chemistry","2018","83","24","14861","14881","10.1021/acs.joc.8b01320","","x-ray","1.54184","CuKα","","0.0651","0.0525","","","0.1359","0.1467","","","","","","1.047","","","","has coordinates,has disorder","226274","2020-10-21","18:00:00",""
"4034752","11.6203","0.0006","13.0651","0.0007","13.7482","0.0007","116.11","0.002","101.916","0.002","90.03","0.002","1823.92","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 F3 N S -","- C23 H16 F3 N S -","- C92 H64 F12 N4 S4 -","4","2","","Shi, Wen-Qiang; Liu, Shuai; Wang, Chen-Ze; Huang, Yangen; Qing, Feng-Ling; Xu, Xiu-Hua","Synthesis of CMe<sub>2</sub>CF<sub>3</sub>-Containing Heteroarenes via Tandem 1,1-Dimethyltrifluoroethylation and Cyclization of Isonitriles.","The Journal of organic chemistry","2018","83","24","15236","15244","10.1021/acs.joc.8b02506","","","0.71073","MoKα","","0.0572","0.0472","","","0.1244","0.134","","","","","","1.039","","","","has coordinates","226275","2020-10-21","18:00:00",""
"4034753","40.1484","0.0011","10.5557","0.0003","11.3092","0.0003","90","","97.518","0.003","90","","4751.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 B N3 O7 S -","- C21 H26 B N3 O7 S -","- C168 H208 B8 N24 O56 S8 -","8","2","","Havel, Stepan; Khirsariya, Prashant; Akavaram, Naresh; Paruch, Kamil; Carbain, Benoit","Preparation of 3,4-Substituted-5-Aminopyrazoles and 4-Substituted-2-Aminothiazoles.","The Journal of organic chemistry","2018","83","24","15380","15405","10.1021/acs.joc.8b02655","","","0.71073","MoKα","","0.0973","0.0821","","","0.1893","0.1961","","","","","","1.216","","","","has coordinates","226276","2020-10-21","18:00:00",""
"4034754","18.2472","0.0006","8.4518","0.0003","12.4155","0.0004","90","","93.856","0.002","90","","1910.4","0.11","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O7 -","- C24 H18 O7 -","- C96 H72 O28 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.101","0.0737","","","0.168","0.1853","","","","","","1.048","","","","has coordinates,has disorder","226277","2020-10-21","18:00:00",""
"4034755","24.0009","0.0011","8.5212","0.0004","31.56","0.002","90","","93.151","0.002","90","","6444.8","0.6","150","","150","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C34 H40 O13 -","- C34 H40 O13 -","- C272 H320 O104 -","8","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.1295","0.0811","","","0.2113","0.2532","","","","","","1.031","","","","has coordinates,has disorder","226278","2020-10-21","18:00:00",""
"4034756","15.7405","0.0003","15.7405","0.0003","11.9054","0.0003","90","","90","","120","","2554.53","0.09","150","","150","","","","","","","","","4","P 63","P 6c","173","","","","- C22 H11 N O6 -","- C22 H11 N O6 -","- C132 H66 N6 O36 -","6","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.1035","0.0968","","","0.2556","0.2804","","","","","","1.252","","","","has coordinates,has disorder","226279","2020-10-21","18:00:00",""
"4034757","21.3113","0.0008","43.3656","0.0017","8.4955","0.0003","90","","90","","90","","7851.3","0.5","100","","100","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H20 O7 -","- C24 H20 O7 -","- C384 H320 O112 -","16","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.0547","0.0535","","","0.1477","0.149","","","","","","1.042","","","","has coordinates,has disorder","226280","2020-10-21","18:00:00",""
"4034758","17.2624","0.0005","8.6308","0.0002","16.1531","0.0005","90","","109.286","0.002","90","","2271.57","0.11","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O9 -","- C26 H22 O9 -","- C104 H88 O36 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.0654","0.0539","","","0.1298","0.1397","","","","","","1.031","","","","has coordinates,has disorder","226281","2020-10-21","18:00:00",""
"4034759","11.6237","0.0009","13.3004","0.001","13.6633","0.001","62.625","0.003","81.097","0.004","82.543","0.004","1849.1","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H50 O15 -","- C38 H50 O15 -","- C76 H100 O30 -","2","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.1066","0.0671","","","0.1431","0.1629","","","","","","1.03","","","","has coordinates,has disorder","226282","2020-10-21","18:00:00",""
"4034760","8.4894","0.0001","11.0722","0.0002","12.8612","0.0002","90","","90","","90","","1208.91","0.03","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Spindler, Benedikt; Kataeva, Olga; Knölker, Hans-Joachim","Enantioselective Total Synthesis and Assignment of the Absolute Configuration of the Furo[3,2- a]carbazole Alkaloid Furoclausine-B.","The Journal of organic chemistry","2018","83","24","15136","15143","10.1021/acs.joc.8b02426","","","1.54178","CuKα","","0.0281","0.0276","","","0.0763","0.0766","","","","","","1.054","","","","has coordinates","226283","2020-10-21","18:00:00",""
"4034761","7.9772","0.0005","9.3301","0.0005","11.0632","0.0006","87.994","0.003","71.069","0.003","79.461","0.003","765.47","0.08","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C32 H32 N4 O10 -","2","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.1223","0.1081","","","","0.288","","","","","","1.123","","","","has coordinates","226284","2020-10-21","18:00:00",""
"4034762","7.265","0.0011","7.4678","0.0013","20.714","0.003","99.558","0.006","94.814","0.006","98.928","0.006","1087.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","2","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","0.71073","MoKα","","0.1581","0.0882","","","","0.2252","","","","","","1.053","","","","has coordinates","226285","2020-10-21","18:00:00",""
"4034763","7.8531","0.0002","9.8132","0.0002","11.2755","0.0003","89.328","0.001","73.167","0.001","78.439","0.001","813.84","0.03","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.0636","0.0556","","","","0.1668","","","","","","1.048","","","","has coordinates","226286","2020-10-21","18:00:00",""
"4034764","22.487","0.004","5.6204","0.0012","7.7323","0.0019","90","","90","","90","","977.3","0.4","117","2","117","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.0675","0.0408","","","","0.1171","","","","","","1.061","","","","has coordinates","226287","2020-10-21","18:00:00",""
"4034765","6.1508","0.0012","8.0778","0.0016","16.666","0.003","89.39","0.03","82.57","0.03","68.88","0.03","765.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C34 H34 N2 O10 -","2","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.0638","0.0476","","","","0.141","","","","","","1.025","","","","has coordinates","226288","2020-10-21","18:00:00",""
"4034766","12.4667","0.0003","15.7431","0.0003","33.5575","0.0007","90","","90","","90","","6586.1","0.2","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 Br N2 O5 S -","- C39 H29 Br N2 O5 S -","- C312 H232 Br8 N16 O40 S8 -","8","2","","Gao, Zhong-Hua; Chen, Kun-Quan; Zhang, Yan; Kong, Ling-Mei; Li, Yan; Ye, Song","Enantioselective N-Heterocyclic Carbene-Catalyzed Synthesis of Spirocyclic Oxindole-benzofuroazepinones.","The Journal of organic chemistry","2018","83","24","15225","15235","10.1021/acs.joc.8b02497","","","0.71073","MoKα","","0.1517","0.0723","","","0.1012","0.1243","","","","","","1.035","","","","has coordinates","226289","2020-10-21","18:00:00",""
"4034767","13.762","0.003","5.5167","0.0011","17.167","0.003","90","","101.75","0.03","90","","1276","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O S2 -","- C15 H12 O S2 -","- C60 H48 O4 S8 -","4","1","","Xia, Fei; Chen, Xiang-Yu; Ye, Song","[3 + 4] Annulation of Bromoenals and 1,2-Benzenedithiol: Base-Promoted [2 + 4] Reaction and N-Heterocyclic Carbene-Catalyzed Ring-Expansion.","The Journal of organic chemistry","2018","83","24","15178","15185","10.1021/acs.joc.8b02460","","","0.71073","MoKα","","0.0514","0.0471","","","0.0934","0.0959","","","","","","1.118","","","","has coordinates","226290","2020-10-21","18:00:00",""
"4034768","5.68","0.003","8.711","0.004","15.304","0.007","74.081","0.015","83.934","0.018","83.108","0.019","720.8","0.6","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H28 Br N6 O5 S3 -","- C25 H28 Br N6 O5 S3 -","- C25 H28 Br N6 O5 S3 -","1","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.1783","0.0676","","","0.1081","0.1399","","","","","","0.889","","","","has coordinates,has disorder","226291","2020-10-21","18:00:00",""
"4034769","15.5695","0.0018","10.944","0.0012","14.1194","0.0018","90","","95.015","0.007","90","","2396.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl2 N7 O3 S -","- C22 H19 Cl2 N7 O3 S -","- C88 H76 Cl8 N28 O12 S4 -","4","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.1732","0.0693","","","0.1356","0.1707","","","","","","0.928","","","","has coordinates,has disorder","226292","2020-10-21","18:00:00",""
"4034770","6.623","0.003","18.287","0.009","33.616","0.015","90","","90","","90","","4071","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N7 O6 S -","- C18 H21 N7 O6 S -","- C144 H168 N56 O48 S8 -","8","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.398","0.0773","","","0.1124","0.1844","","","","","","0.852","","","","has coordinates","226293","2020-10-21","18:00:00",""
"4034771","8.9212","0.0008","8.8067","0.0006","20.9373","0.0016","90","","92.791","0.008","90","","1643","0.2","294.56","0.12","294.56","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C76 H60 N4 O20 -","4","1","","Song, Xia; Gao, Cai; Zhang, Xinying; Fan, Xuesen","Synthesis of Diversely Functionalized 2 H-Chromenes through Pd-Catalyzed Cascade Reactions of 1,1-Dibromoolefin Derivatives with Arylboronic Acids.","The Journal of organic chemistry","2018","83","24","15256","15267","10.1021/acs.joc.8b02456","","x-ray","0.71073","MoKα","","0.1033","0.0647","","","0.1318","0.1507","","","","","","1.037","","","","has coordinates","226294","2020-10-21","18:00:00",""
"4034772","6.575","0.0003","9.8384","0.0006","28.6228","0.0015","90","","90","","90","","1851.54","0.17","100","2","99.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Chennamadhavuni, Spandan; Panek, James S.; Porco, Jr, John A; Brown, Lauren E.","Diastereodivergent Synthesis of Chiral Tetrahydropyrrolodiazepinediones via a One-Pot Intramolecular aza-Michael/Lactamization Sequence.","The Journal of organic chemistry","2018","83","24","15449","15462","10.1021/acs.joc.8b02724","","","1.54178","CuKα","","0.0284","0.0282","","","0.0693","0.0695","","","","","","1.029","","","","has coordinates","226295","2020-10-21","18:00:00",""
"4034773","5.1322","0.0003","10.6941","0.0007","36.958","0.002","90","","90","","90","","2028.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,6S,8S,9R)-8-Butyl-9-((3,5-dinitrobenzoyl)oxymethyl)bicyclo[4.3.0]non-3-ene","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C84 H104 N8 O24 -","4","1","","Nolsøe, Jens M J; Antonsen, Simen; Görbitz, Carl H; Hansen, Trond V.; Nesman, Jannicke I.; Røhr, Åsmund K; Stenstrøm, Yngve H","Total Synthesis of (-)-Mucosin and Revision of Structure.","The Journal of organic chemistry","2018","83","24","15066","15076","10.1021/acs.joc.8b02318","","","0.71073","MoKα","","0.0947","0.0543","","","0.106","0.1311","","","","","","1.041","","","","has coordinates","226296","2020-10-21","18:00:00",""
"4034774","6.4402","0.0002","16.5039","0.0006","19.2685","0.0007","90","","90","","90","","2048.02","0.12","150","2","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Lu, Hong; Tan, Chang-Yin; Zhang, Huan-Xin; Zhang, Jia-Lu; Liu, Jin-Yu; Li, Hong-Yu; Xu, Peng-Fei","Participation of β-Ketothioamides in N-Heterocyclic Carbene-Catalyzed [3 + 3] Spiroannulation: Asymmetric Synthesis of Functionalized Spiro-piperidinone Derivatives.","The Journal of organic chemistry","2018","83","24","15245","15255","10.1021/acs.joc.8b02520","","","1.54178","CuKα","","0.0481","0.0472","","","0.1278","0.1289","","","","","","1.036","","","","has coordinates","226297","2020-10-21","18:00:00",""
"4034775","6.16338","0.00008","33.2578","0.0005","9.94383","0.00014","90","","100.205","0.0008","90","","2006.04","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-4'-benzylidene-3'-(4-chlorophenyl)-1-methylspiro[indoline-3,5'-oxazolidine]-2,2'-dione","","- C24 H17 Cl N2 O3 -","- C24 H17 Cl N2 O3 -","- C96 H68 Cl4 N8 O12 -","4","1","","Potuganti, Gal Reddy; Indukuri, Divakar Reddy; Nanubolu, Jagadeesh Babu; Alla, Manjula","Copper-Catalyzed Domino Addition, Hydroamination, and Cyclization: A Multicomponent Approach to Spiro Oxazolidinone Derivatives.","The Journal of organic chemistry","2018","83","24","15186","15194","10.1021/acs.joc.8b02461","","","0.71073","MoKα","","0.0697","0.0506","","","0.1467","0.1603","","","","","","1.128","","","","has coordinates,has disorder","226298","2020-10-21","18:00:00",""
"4034776","27.583","0.002","13.6001","0.001","10.2013","0.001","90","","104.589","0.004","90","","3703.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-4-benzylidene-3-(4-chlorophenyl)-1-oxa-3-azaspiro[4.5]decan-2-one'","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C168 H160 Cl8 N8 O16 -","8","1","","Potuganti, Gal Reddy; Indukuri, Divakar Reddy; Nanubolu, Jagadeesh Babu; Alla, Manjula","Copper-Catalyzed Domino Addition, Hydroamination, and Cyclization: A Multicomponent Approach to Spiro Oxazolidinone Derivatives.","The Journal of organic chemistry","2018","83","24","15186","15194","10.1021/acs.joc.8b02461","","","0.71073","MoKα","","0.0921","0.055","","","0.1412","0.1641","","","","","","1.066","","","","has coordinates,has disorder","226299","2020-10-21","18:00:00",""
"4034777","10.8054","0.0008","7.8126","0.0006","28.528","0.003","90","","90","","90","","2408.3","0.4","298.84","0.1","298.84","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H12 F3 N O2 S -","- C11 H12 F3 N O2 S -","- C88 H96 F24 N8 O16 S8 -","8","1","","Wang, Xue-Juan; Su, Yan; Li, Rui; Gu, Peiming","Tf<sub>2</sub>O-Promoted Intramolecular Schmidt Reaction of the ω-Azido Carboxylic Acids.","The Journal of organic chemistry","2018","83","10","5816","5824","10.1021/acs.joc.8b00475","","x-ray","0.71073","MoKα","","0.0626","0.0447","","","0.1321","0.1499","","","","","","0.966","","","","has coordinates","226300","2020-10-21","18:00:00",""
"4034778","7.651","0.0007","18.5007","0.0015","38.062","0.003","90","","90","","90","","5387.6","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N2 O2 Si -","- C26 H41 N2 O2 Si -","- C208 H328 N16 O16 Si8 -","8","2","","Takeuchi, Toshifumi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Vinyl Acetamide.","The Journal of organic chemistry","2018","83","10","5851","5858","10.1021/acs.joc.8b00743","","","1.54187","CuKα","","0.1136","0.0657","","","0.1384","0.1621","","","","","","0.938","","","","has coordinates,has disorder","226301","2020-10-21","18:00:00",""
"4034779","7.278","0.0002","17.8268","0.0005","18.0726","0.0005","90","","90","","90","","2344.8","0.11","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","2","","Takeuchi, Toshifumi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Vinyl Acetamide.","The Journal of organic chemistry","2018","83","10","5851","5858","10.1021/acs.joc.8b00743","","","1.54187","CuKα","","0.0723","0.0579","","","0.1412","0.1601","","","","","","1.117","","","","has coordinates","226302","2020-10-21","18:00:00",""
"4034780","8.9373","0.0011","14.855","0.0015","8.7225","0.0011","90","","94.186","0.006","90","","1154.9","0.2","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Guchhait, Sankar K.; Sisodiya, Shailendra; Saini, Meenu; Shah, Yesha V.; Kumar, Gulshan; Daniel, Divine P.; Hura, Neha; Chaudhary, Vikas","Synthesis of Polyfunctionalized Pyrroles via a Tandem Reaction of Michael Addition and Intramolecular Cyanide-Mediated Nitrile-to-Nitrile Condensation.","The Journal of organic chemistry","2018","83","10","5807","5815","10.1021/acs.joc.8b00465","","","0.71075","MoKα","","0.0674","0.0534","","","0.1379","0.1502","","","","","","1.083","","","","has coordinates","226303","2020-10-21","18:00:00",""
"4034781","16.0106","0.0004","6.6008","0.0001","18.147","0.0004","90","","110.687","0.003","90","","1794.17","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,3R,4S,7S)-7-(2,4-dichlorophenyl)-4,5-dimethyl-3-phenyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one","","- C20 H19 Cl2 N O2 -","- C20 H19 Cl2 N O2 -","- C80 H76 Cl8 N4 O8 -","4","2","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.0521","0.0509","","","0.1394","0.1417","","","","","","1.085","","","","has coordinates","226304","2020-10-21","18:00:00",""
"4034782","7.52861","0.00009","7.52861","0.00009","32.1688","0.0009","90","","90","","90","","1823.33","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H19 Cl2 N O2 -","- C20 H19 Cl2 N O2 -","- C80 H76 Cl8 N4 O8 -","4","1","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.0289","0.0287","","","0.0756","0.0758","","","","","","1.044","","","","has coordinates","226305","2020-10-21","18:00:00",""
"4034783","7.8387","0.0001","15.5575","0.0002","15.9678","0.0002","90","","90.449","0.001","90","","1947.22","0.04","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 F N O2 -","- C23 H26 F N O2 -","- C92 H104 F4 N4 O8 -","4","2","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.033","0.0315","","","0.0799","0.0817","","","","","","1.036","","","","has coordinates","226306","2020-10-21","18:00:00",""
"4034784","10.8287","0.0001","8.7361","0.0001","14.9004","0.0001","90","","91.5711","0.0007","90","","1409.06","0.02","150","","150","","","","","","","","from U of Wollongong","5","P 1 21 1","P 2yb","4","","","","- C31 H38 Cl N O4 -","- C31 H38 Cl N O4 -","- C62 H76 Cl2 N2 O8 -","2","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0243","0.024","","0.0619","0.0615","0.0619","","","","","","1.0015","","","","has coordinates","226307","2020-10-21","18:00:00",""
"4034785","10.6785","0.0004","10.7888","0.0007","12.4332","0.0008","98.711","0.006","101.123","0.004","92.413","0.004","1385.53","0.14","150","","150","","","","","","","","from U of Wollongong","4","P 1","P 1","1","","","","- C29 H39 N O8 -","- C29 H39 N O8 -","- C58 H78 N2 O16 -","2","2","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","","1.54184","CuKα","","0.0637","0.0539","","0.134","0.1269","0.134","","","","","","0.9928","","","","has coordinates","226308","2020-10-21","18:00:00",""
"4034786","5.8947","0.0001","11.9409","0.0001","32.5277","0.0004","90","","90","","90","","2289.56","0.05","150","","150","","","","","","","","from U of Wollongong","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30.11 N O7.55 -","- C24 H30.106 N O7.553 -","- C96 H120.424 N4 O30.212 -","4","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","","1.54184","CuKα","","0.0297","0.0286","","0.073","0.0721","0.073","","","","","","1.0012","","","","has coordinates","226309","2020-10-21","18:00:00",""
"4034787","13.3461","0.0002","5.1418","0.0001","19.3686","0.0002","90","","97.7303","0.0012","90","","1317.05","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C60 H70 N2 O10 -","2","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0389","0.038","","0.1038","0.1025","0.1038","","","","","","1.0125","","","","has coordinates","226310","2020-10-21","18:00:00",""
"4034788","12.1681","0.0002","13.7635","0.0004","19.2104","0.0006","100.542","0.002","90.699","0.002","90.063","0.002","3162.72","0.15","150","","150","","","","","","","","from U of Wollongong","5","P 1","P 1","1","","","","- C28 H39 N O10 S2 -","- C28 H39 N O10 S2 -","- C112 H156 N4 O40 S8 -","4","4","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0676","0.0603","","0.1597","0.1518","0.1597","","","","","","0.9806","","","","has coordinates","226311","2020-10-21","18:00:00",""
"4034789","31.1008","0.0007","15.905","0.0006","22.8099","0.0007","90","","90","","90","","11283.1","0.6","150","2","150","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C30 H30 F8 N2 O3 -","- C30 H30 F8 N2 O3 -","- C480 H480 F128 N32 O48 -","16","2","","Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Richard P.; Chiu, Sheng-Hsien","[2]Catenanes Displaying Switchable Gin-Trap-Like Motion.","The Journal of organic chemistry","2018","83","10","5619","5628","10.1021/acs.joc.8b00601","","","1.54178","CuKα","","0.0472","0.0423","","","0.1114","0.1181","","","","","","1.024","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034790","12.554","0.0006","13.1199","0.0007","16.8258","0.0008","89.804","0.004","72.121","0.004","87.944","0.004","2635.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H62 F8 N2 O8 -","- C58 H62 F8 N2 O8 -","- C116 H124 F16 N4 O16 -","2","1","","Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Richard P.; Chiu, Sheng-Hsien","[2]Catenanes Displaying Switchable Gin-Trap-Like Motion.","The Journal of organic chemistry","2018","83","10","5619","5628","10.1021/acs.joc.8b00601","","","1.54178","CuKα","","0.0712","0.055","","","0.1444","0.1616","","","","","","1.037","","","","has coordinates,has disorder","226313","2020-10-21","18:00:00",""
"4034791","9.6013","0.0004","15.5775","0.0006","20.8542","0.0008","90","","90","","90","","3119","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C120 H136 N8 O24 S8 -","8","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.068","0.0497","","","0.13","0.1478","","","","","","1.023","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034792","9.7993","0.0006","25.1148","0.0012","17.0761","0.0008","90","","104.997","0.005","90","","4059.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C184 H168 N8 O24 S8 -","8","2","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0737","0.0466","","","0.1021","0.1166","","","","","","1.029","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034793","7.4724","0.0006","24.2647","0.0016","10.0623","0.0009","90","","107.984","0.01","90","","1735.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 F3 N O4 S -","- C15 H16 F3 N O4 S -","- C60 H64 F12 N4 O16 S4 -","4","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0689","0.0509","","","0.1259","0.1383","","","","","","1.052","","","","has coordinates,has disorder","226314","2020-10-21","18:00:00",""
"4034794","5.2705","0.0003","14.2552","0.0011","21.578","0.0015","90","","91.648","0.006","90","","1620.53","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F N O3 S -","- C16 H18 F N O3 S -","- C64 H72 F4 N4 O12 S4 -","4","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0689","0.0437","","","0.0976","0.1123","","","","","","1.039","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034795","5.4695","0.0015","7.8263","0.0016","17.704","0.003","90","","94.45","0.02","90","","755.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C30 H34 N2 O6 S2 -","2","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0501","0.0372","","","0.0723","0.0798","","","","","","1.048","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034796","9.7904","0.0003","9.9854","0.0003","11.9075","0.0004","66.686","0.003","83.345","0.002","75.053","0.003","1032.75","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O5 S -","- C20 H22 N2 O5 S -","- C40 H44 N4 O10 S2 -","2","1","","Andrés, José M; Maestro, Alicia; Valle, María; Pedrosa, Rafael","Chiral Bifunctional Thioureas and Squaramides and Their Copolymers as Recoverable Organocatalysts. Stereoselective Synthesis of 2-Substituted 4-Amino-3-nitrobenzopyrans and 3-Functionalized 3,4-Diamino-4 H-Chromenes.","The Journal of organic chemistry","2018","83","10","5546","5557","10.1021/acs.joc.8b00567","","x-ray","1.54184","CuKα","","0.0441","0.0375","","","0.0959","0.102","","","","","","1.027","","","","has coordinates","226315","2020-10-21","18:00:00",""
"4034797","4.8209","0.0002","19.1877","0.0007","23.923","0.0008","109.218","0.002","95.529","0.002","96.646","0.002","2054.13","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H80.99 B2 N6 O4 S2 -","- C96 H80.988 B2 N6 O4 S2 -","- C96 H80.988 B2 N6 O4 S2 -","1","0.5","","Li, Guangfeng; Chen, Yijing; Qiao, Yanjun; Lu, Yifan; Zhou, Gang","Charge Transfer Switching in Donor-Acceptor Systems Based on BN-Fused Naphthalimides.","The Journal of organic chemistry","2018","83","10","5577","5587","10.1021/acs.joc.8b00597","","","1.54178","CuKα","","0.0703","0.0525","","","0.1578","0.1711","","","","","","1.194","","","","has coordinates,has disorder","226316","2020-10-21","18:00:00",""
"4034798","14.755","0.002","6.0419","0.0007","16.653","0.002","90","","105.827","0.01","90","","1428.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Che, Chao; Qian, Zhaosheng; Wu, Mingchang; Zhao, Ying; Zhu, Gangguo","Intermolecular Oxidative Radical Addition to Aromatic Aldehydes: Direct Access to 1,4- and 1,5-Diketones via Silver-Catalyzed Ring-Opening Acylation of Cyclopropanols and Cyclobutanols.","The Journal of organic chemistry","2018","83","10","5665","5673","10.1021/acs.joc.8b00666","","","0.71073","MoKα","","","0.0874","","","0.1472","0.1776","","","","","","1.152","","","","has coordinates","226317","2020-10-21","18:00:00",""
"4034799","6.4182","0.001","8.0455","0.001","20.61","0.003","79.262","0.006","88.226","0.008","85.037","0.007","1041.6","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Cl O4 S -","- C26 H19 Cl O4 S -","- C52 H38 Cl2 O8 S2 -","2","1","","Ma, Shanshan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Phosphine-Catalyzed Domino Reaction of Thioaurones and Allenoate: Synthesis of Benzothiophene-Fused Dioxabicyclo[3.3.1]nonane Derivatives.","The Journal of organic chemistry","2018","83","10","5410","5419","10.1021/acs.joc.8b00145","","","0.71073","MoKα","","0.0336","0.0287","","","0.0751","0.0778","","","","","","1.044","","","","has coordinates","226318","2020-10-21","18:00:00",""
"4034800","14.852","0.009","5.609","0.003","23.749","0.014","90","","95.694","0.009","90","","1969","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 F3 O S -","- C22 H19 F3 O S -","- C88 H76 F12 O4 S4 -","4","1","","Xiao, Zhiwei; Liu, Yongan; Zheng, Liping; Liu, Chao; Guo, Yong; Chen, Qing-Yun","Oxidative Radical Intermolecular Trifluoromethylthioarylation of Styrenes by Arenediazonium Salts and Copper(I) Trifluoromethylthiolate.","The Journal of organic chemistry","2018","83","10","5836","5843","10.1021/acs.joc.8b00650","","","0.71073","MoKα","","0.2759","0.136","","","0.3528","0.4104","","","","","","1.018","","","","has coordinates","226320","2020-10-21","18:00:00",""
"4034801","12.3929","0.0013","18.2045","0.0019","14.051","0.0014","90","","101.083","0.002","90","","3110.9","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2.6 H2.4 Cu F3 N0.8 S -","- C2.6 H2.4 Cu F3 N0.8 S -","- C52 H48 Cu20 F60 N16 S20 -","20","5","","Xiao, Zhiwei; Liu, Yongan; Zheng, Liping; Liu, Chao; Guo, Yong; Chen, Qing-Yun","Oxidative Radical Intermolecular Trifluoromethylthioarylation of Styrenes by Arenediazonium Salts and Copper(I) Trifluoromethylthiolate.","The Journal of organic chemistry","2018","83","10","5836","5843","10.1021/acs.joc.8b00650","","","0.71073","MoKα","","0.0508","0.0288","","","0.0754","0.0861","","","","","","1.045","","","","has coordinates,has disorder","226321","2020-10-21","18:00:00",""
"4034802","10.0279","0.001","10.7137","0.0011","12.0696","0.0013","114.501","0.011","105.583","0.009","99.683","0.009","1077.2","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C54 H48 N4 O4 -","2","1","","Cheng, Cheng; Zhang, Jiayong; Wang, Xue; Miao, Zhiwei","DBU-Promoted [4 + 4] Domino Cycloaddition of Ynones with Benzylidenepyrazolones To Access Eight-Membered Cyclic Ethers.","The Journal of organic chemistry","2018","83","10","5450","5457","10.1021/acs.joc.8b00352","","","0.71073","MoKα","","0.0657","0.0527","","","0.1414","0.1534","","","","","","1.022","","","","has coordinates","226322","2020-10-21","18:00:00",""
"4034803","13.5592","0.0003","13.5592","0.0003","5.6888","0.0002","90","","90","","120","","905.77","0.04","173","2","173","2","","","","","","","","3","P 31","P 31","144","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","1","","Scholl, Katie; Dillashaw, John; Timpy, Evan; Lam, Yu-Hong; DeRatt, Lindsey; Benton, Tyler R.; Powell, Jacqueline P.; Houk, K. N.; Morgan, Jeremy B.","Quinine-Promoted, Enantioselective Boron-Tethered Diels-Alder Reaction by Anomeric Control of Transition-State Conformation.","The Journal of organic chemistry","2018","83","10","5756","5765","10.1021/acs.joc.8b00938","","","1.54178","CuKα","","0.028","0.0279","","","0.0727","0.0728","","","","","","1.07","","","","has coordinates","226323","2020-10-21","18:00:00",""
"4034804","13.0957","0.0004","19.0281","0.0007","19.8599","0.0006","68.022","0.003","88.534","0.003","87.009","0.003","4582.8","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C101 H122 Cl2 O2 Si2 -","- C101.001 H122.002 Cl2.002 O2 Si2 -","- C202.002 H244.004 Cl4.004 O4 Si4 -","2","1","","Nagaoka, Maiko; Tsurumaki, Eiji; Nishiuchi, Mai; Iwanaga, Tetsuo; Toyota, Shinji","Synthesis and Electronic Properties of Length-Defined 9,10-Anthrylene-Butadiynylene Oligomers.","The Journal of organic chemistry","2018","83","10","5784","5790","10.1021/acs.joc.8b00311","","","0.71073","MoKα","","0.1564","0.0992","","","0.2599","0.3037","","","","","","1.01","","","","has coordinates,has disorder","226324","2020-10-21","18:00:00",""
"4034805","23.7477","0.0013","7.4516","0.0003","7.8082","0.0004","90","","90","","90","","1381.73","0.12","292","","292","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","0.5","","Espinoza-Hicks, Carlos; Montoya, Pablo; Bautista, Rafael; Jiménez-Vázquez, Hugo A; Rodríguez-Valdez, Luz M; Camacho-Dávila, Alejandro A; Cossío, Fernando P; Delgado, Francisco; Tamariz, Joaquín","Synthesis of exo-Imidazolidin-2-one Dienes, Their Isomerization, and Selectivity in Diels-Alder Cycloadditions.","The Journal of organic chemistry","2018","83","10","5347","5364","10.1021/acs.joc.7b02344","","","0.71073","MoKα","","0.08","0.0577","","","0.1268","0.1384","","","","","","1.075","","","","has coordinates","226325","2020-10-21","18:00:00",""
"4034806","32.1108","0.0018","32.1108","0.0018","8.1217","0.0005","90","","90","","120","","7252.4","0.7","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","2,2,5,5-Tetraethyl-3,4-bis(hydroxymethyl)pyrrolidin-1-oxyl","","- C14 H28 N O3 -","- C14 H28 N O3 -","- C252 H504 N18 O54 -","18","1","","Dobrynin, Sergey A.; Glazachev, Yuri I.; Gatilov, Yuri V.; Chernyak, Elena I.; Salnikov, George E.; Kirilyuk, Igor A.","Synthesis of 3,4-Bis(hydroxymethyl)-2,2,5,5-tetraethylpyrrolidin-1-oxyl via 1,3-Dipolar Cycloaddition of Azomethine Ylide to Activated Alkene.","The Journal of organic chemistry","2018","83","10","5392","5397","10.1021/acs.joc.8b00085","","","0.71073","MoKα","","0.1199","0.0774","","","0.2323","0.2916","","","","","","1.017","","","","has coordinates","226326","2020-10-21","18:00:00",""
"4034807","13.9856","0.0005","12.0156","0.0005","15.6049","0.0006","90","","90","","90","","2622.33","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2,5-Triethyl-3,4-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole 1-oxide","","- C12 H23 N O3 -","- C12 H23 N O3 -","- C96 H184 N8 O24 -","8","1","","Dobrynin, Sergey A.; Glazachev, Yuri I.; Gatilov, Yuri V.; Chernyak, Elena I.; Salnikov, George E.; Kirilyuk, Igor A.","Synthesis of 3,4-Bis(hydroxymethyl)-2,2,5,5-tetraethylpyrrolidin-1-oxyl via 1,3-Dipolar Cycloaddition of Azomethine Ylide to Activated Alkene.","The Journal of organic chemistry","2018","83","10","5392","5397","10.1021/acs.joc.8b00085","","","0.71073","MoKα","","0.0643","0.0517","","","0.1318","0.1419","","","","","","1.058","","","","has coordinates","226327","2020-10-21","18:00:00",""
"4034808","9.5531","0.0019","10.421","0.002","13.525","0.003","90","","90","","90","","1346.5","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Bi, Xin; Xu, Wenbo; Yao, Yanmin; Zhou, Lili; Liang, Guangxin","Total Syntheses of a Family of Cadinane Sesquiterpenes.","The Journal of organic chemistry","2018","83","10","5825","5828","10.1021/acs.joc.8b00505","","","0.71073","MoKα","","0.052","0.0411","","","0.0788","0.0825","","","","","","1.078","","","","has coordinates","226328","2020-10-21","18:00:00",""
"4034809","9.3072","0.0019","11.839","0.002","13.106","0.003","90","","90","","90","","1444.1","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","1","","Bi, Xin; Xu, Wenbo; Yao, Yanmin; Zhou, Lili; Liang, Guangxin","Total Syntheses of a Family of Cadinane Sesquiterpenes.","The Journal of organic chemistry","2018","83","10","5825","5828","10.1021/acs.joc.8b00505","","","0.71073","MoKα","","0.052","0.0458","","","0.1194","0.1236","","","","","","1.093","","","","has coordinates","226329","2020-10-21","18:00:00",""
"4034810","7.3827","0.0003","11.4509","0.0005","14.5547","0.0006","77.556","0.002","86.847","0.002","77.599","0.002","1173.44","0.09","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C38 H36 -","- C38 H36 -","- C76 H72 -","2","1","","Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina","Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.","The Journal of organic chemistry","2018","83","10","5420","5430","10.1021/acs.joc.8b00212","","","0.71073","MoKα","","0.0588","0.0445","","","0.1156","0.1241","","","","","","1.018","","","","has coordinates","226330","2020-10-21","18:00:00",""
"4034811","11.9655","0.0003","15.3718","0.0004","16.7007","0.0004","90","","90","","90","","3071.78","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 I2 -","- C19 H18 I2 -","- C152 H144 I16 -","8","1","","Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina","Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.","The Journal of organic chemistry","2018","83","10","5420","5430","10.1021/acs.joc.8b00212","","","0.71073","MoKα","","0.0319","0.0253","","","0.0672","0.0711","","","","","","1.04","","","","has coordinates","226331","2020-10-21","18:00:00",""
"4034812","5.9104","0.0004","11.1856","0.0008","19.9679","0.0014","105.046","0.002","96.566","0.002","90.113","0.002","1265.8","0.15","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C19 H20 -","- C19 H20 -","- C76 H80 -","4","2","","Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina","Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.","The Journal of organic chemistry","2018","83","10","5420","5430","10.1021/acs.joc.8b00212","","","0.71073","MoKα","","0.0651","0.0545","","","0.1622","0.17","","","","","","1.044","","","","has coordinates","226332","2020-10-21","18:00:00",""
"4034813","11.0791","0.0001","11.8232","0.0001","31.0969","0.0005","90","","90","","90","","4073.4","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H54 N4 O9 -","- C43 H54 N4 O9 -","- C172 H216 N16 O36 -","4","1","","Li, Ni-Ping; Liu, Miao; Huang, Xiao-Jun; Gong, Xue-Ying; Zhang, Wei; Cheng, Min-Jing; Ye, Wen-Cai; Wang, Lei","Gelsecorydines A-E, Five Gelsedine-Corynanthe-Type Bisindole Alkaloids from the Fruits of Gelsemium elegans.","The Journal of organic chemistry","2018","83","10","5707","5714","10.1021/acs.joc.8b00736","","x-ray","1.54184","CuKα","","0.048","0.0435","","","0.1056","0.1074","","","","","","1.052","","","","has coordinates","226333","2020-10-21","18:00:00",""
"4034814","13.4745","0.0004","16.8109","0.0005","9.146","0.0003","90","","97.968","0.003","90","","2051.74","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F N3 O4 -","- C23 H24 F N3 O4 -","- C92 H96 F4 N12 O16 -","4","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0454","0.0377","","","0.0925","0.098","","","","","","1.033","","","","has coordinates","226334","2020-10-21","18:00:00",""
"4034815","14.53442","0.00014","22.08306","0.00016","14.82247","0.00015","90","","113.821","0.0012","90","","4352.2","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 F2 N3 O4 -","- C26 H21 F2 N3 O4 -","- C208 H168 F16 N24 O32 -","8","2","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","1.54184","CuKα","","0.0393","0.0329","","","0.0801","0.0838","","","","","","1.027","","","","has coordinates","226335","2020-10-21","18:00:00",""
"4034816","6.8496","0.0003","10.139","0.0004","12.0844","0.0004","89.339","0.003","77.612","0.003","80.243","0.003","807.57","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 F N3 O3 -","- C17 H20 F N3 O3 -","- C34 H40 F2 N6 O6 -","2","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","1.54184","CuKα","","0.0401","0.0349","","","0.0879","0.0929","","","","","","1.027","","","","has coordinates","226336","2020-10-21","18:00:00",""
"4034817","26.451","0.0009","7.526","0.0002","20.2835","0.0007","90","","99.598","0.003","90","","3981.3","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H20 N3 O8.5 S -","- C19 H20 N3 O8.5 S -","- C152 H160 N24 O68 S8 -","8","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0404","0.0339","","","0.079","0.0824","","","","","","1.057","","","","has coordinates,has disorder","226337","2020-10-21","18:00:00",""
"4034818","13.6746","0.0002","17.7585","0.0003","8.82977","0.00016","90","","98.9764","0.0017","90","","2117.96","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C104 H92 N12 O16 -","4","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","x-ray","1.54184","CuKα","","0.0547","0.044","","","0.1112","0.1205","","","","","","1.029","","","","has coordinates","226338","2020-10-21","18:00:00",""
"4034819","6.8791","0.0003","16.782","0.0007","8.8948","0.0004","90","","95.33","0.004","90","","1022.42","0.08","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H24 N2 O8 -","- C21 H25 N2 O8 -","- C42 H50 N4 O16 -","2","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0377","0.0342","","","0.0796","0.0823","","","","","","1.051","","","","has coordinates","226339","2020-10-21","18:00:00",""
"4034820","13.223","0.0003","13.84641","0.00019","13.2855","0.0003","90","","118.705","0.003","90","","2133.52","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F2 N3 O3 -","- C24 H21 F2 N3 O3 -","- C96 H84 F8 N12 O12 -","4","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0383","0.0349","","","0.088","0.0909","","","","","","1.027","","","","has coordinates","226340","2020-10-21","18:00:00",""
"4034821","6.5047","0.0003","17.1549","0.0007","16.2889","0.0007","90","","91.085","0.004","90","","1817.31","0.14","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","2","","Peng, Xing-Rong; Lu, Shuang-Yang; Shao, Li-Dong; Zhou, Lin; Qiu, Ming-Hua","Structural Elucidation and Biomimetic Synthesis of (±)-Cochlactone A with Anti-Inflammatory Activity.","The Journal of organic chemistry","2018","83","10","5516","5522","10.1021/acs.joc.8b00525","","x-ray","1.54184","CuKα","","0.0995","0.0936","","","0.2703","0.2747","","","","","","1.081","","","","has coordinates,has disorder","226341","2020-10-21","18:00:00",""
"4034822","10.617","0.002","6.9496","0.0014","20.782","0.006","90","","110.52","0.03","90","","1436.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N2 O0 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Wang, Xu; He, Dandan; Huang, Yubing; Fan, Qihang; Wu, Wanqing; Jiang, Huanfeng","Copper-Catalyzed Synthesis of Substituted Quinazolines from Benzonitriles and 2-Ethynylanilines via Carbon-Carbon Bond Cleavage Using Molecular Oxygen.","The Journal of organic chemistry","2018","83","10","5458","5466","10.1021/acs.joc.8b00378","","","0.71073","MoKα","","0.1436","0.0545","","","0.1283","0.1976","","","","","","0.92","","","","has coordinates","226342","2020-10-21","18:00:00",""
"4034823","9.794","0.005","13.608","0.005","23.799","0.005","90","0.005","95.22","0.005","90","0.005","3159","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cyclo-adduct","","","- C34 H40 N2 O7 -","- C34 H40 N2 O7 -","- C136 H160 N8 O28 -","4","1","","Dey, Raghunath; Kumar, Pankaj; Banerjee, Prabal","Lewis Acid Catalyzed Annulation of Cyclopropane Carbaldehydes and Aryl Hydrazines: Construction of Tetrahydropyridazines and Application Toward a One-Pot Synthesis of Hexahydropyrrolo[1,2- b]pyridazines.","The Journal of organic chemistry","2018","83","10","5438","5449","10.1021/acs.joc.8b00332","","","0.71073","MoKα","","0.1538","0.0768","","","0.1654","0.2017","","","","","","1.049","","","","has coordinates","226343","2020-10-21","18:00:00",""
"4034824","6.587","0.005","10.692","0.005","11.061","0.005","90","0.005","93.961","0.005","90","0.005","777.1","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Dey, Raghunath; Kumar, Pankaj; Banerjee, Prabal","Lewis Acid Catalyzed Annulation of Cyclopropane Carbaldehydes and Aryl Hydrazines: Construction of Tetrahydropyridazines and Application Toward a One-Pot Synthesis of Hexahydropyrrolo[1,2- b]pyridazines.","The Journal of organic chemistry","2018","83","10","5438","5449","10.1021/acs.joc.8b00332","","","0.71073","MoKα","","0.0788","0.0576","","","0.1176","0.126","","","","","","1.086","","","","has coordinates","226344","2020-10-21","18:00:00",""
"4034825","11.6786","0.0008","10.5551","0.0006","12.611","0.001","90","","108.536","0.008","90","","1473.9","0.19","293.95","0.1","293.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Br N O -","- C17 H17 Br N O -","- C68 H68 Br4 N4 O4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0582","0.0376","","","0.0793","0.0896","","","","","","1.0465","","","","has coordinates","226345","2020-10-21","18:00:00",""
"4034826","14.3705","0.0012","8.1129","0.0007","10.191","0.0008","90","","93.616","0.007","90","","1185.77","0.17","295.6","0.2","295.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O Se -","- C11 H14 N2 O Se -","- C44 H56 N8 O4 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0998","0.0617","","","0.1061","0.1251","","","","","","1.036","","","","has coordinates","226346","2020-10-21","18:00:00",""
"4034827","7.1388","0.0007","18.695","0.002","10.5157","0.0013","90","","104.938","0.01","90","","1356","0.3","295.6","0.3","295.6","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O3 Se -","- C12 H14 N2 O3 Se -","- C48 H56 N8 O12 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.079","0.0445","","","0.0853","0.1","","","","","","1.0411","","","","has coordinates","226347","2020-10-21","18:00:00",""
"4034828","7.3016","0.0007","11.2744","0.001","16.071","0.0017","90","","102.442","0.01","90","","1291.9","0.2","293.07","0.12","293.07","0.12","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br N2 O4 -","- C12 H12 Br N2 O4 -","- C48 H48 Br4 N8 O16 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0566","0.038","","","0.0894","0.099","","","","","","1.0607","","","","has coordinates","226348","2020-10-21","18:00:00",""
"4034829","7.6221","0.0012","24.039","0.003","14.983","0.002","90","","94.073","0.016","90","","2738.4","0.7","296.2","0.2","296.2","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 Se -","- C13 H17 N O2 Se -","- C104 H136 N8 O16 Se8 -","8","2","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0975","0.0494","","","0.0895","0.1106","","","","","","1.0366","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4034830","13.1752","0.0017","7.1057","0.0006","13.7654","0.0016","90","","111.1","0.014","90","","1202.3","0.3","296.5","0.2","296.5","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O Se -","- C11 H14 N2 O Se -","- C44 H56 N8 O4 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.1198","0.0764","","","0.1754","0.2013","","","","","","1.076","","","","has coordinates","226350","2020-10-21","18:00:00",""
"4034831","10.079","0.002","9.9043","0.0012","11.905","0.0019","90","","107.125","0.019","90","","1135.7","0.3","294.4","0.3","294.4","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O S Se -","- C10 H11 N O S Se -","- C40 H44 N4 O4 S4 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.1099","0.0615","","","0.1371","0.1661","","","","","","1.0279","","","","has coordinates","226351","2020-10-21","18:00:00",""
"4034832","23.367","0.012","70.7","0.04","5.211","0.003","90","","90","","90","","8609","8","296","2","296.15","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C27 H26 O4 -","- C27 H26 O4 -","- C432 H416 O64 -","16","1","","Wang, Cong-Shuai; Cheng, Yu-Chun; Zhou, Ji; Mei, Guang-Jian; Wang, Shu-Liang; Shi, Feng","Metal-Catalyzed Oxa-[4+2] Cyclizations of Quinone Methides with Alkynyl Benzyl Alcohols.","The Journal of organic chemistry","2018","83","22","13861","13873","10.1021/acs.joc.8b02186","","","0.71073","MoKα","","0.1943","0.0641","","","0.1052","0.1406","","","","","","0.954","","","","has coordinates","226352","2020-10-21","18:00:00",""
"4034833","9.7271","0.0009","12.1139","0.0011","13.3466","0.0012","116.056","0.001","102.825","0.001","98.745","0.001","1320.5","0.2","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 O4 -","- C31 H36 O4 -","- C62 H72 O8 -","2","1","","Wang, Cong-Shuai; Cheng, Yu-Chun; Zhou, Ji; Mei, Guang-Jian; Wang, Shu-Liang; Shi, Feng","Metal-Catalyzed Oxa-[4+2] Cyclizations of Quinone Methides with Alkynyl Benzyl Alcohols.","The Journal of organic chemistry","2018","83","22","13861","13873","10.1021/acs.joc.8b02186","","","0.71073","MoKα","","0.056","0.0488","","","0.1325","0.1396","","","","","","1.037","","","","has coordinates","226353","2020-10-21","18:00:00",""
"4034834","10.4367","0.0003","10.9382","0.0003","17.4996","0.0005","95.746","0.001","94.601","0.001","93.95","0.001","1975.32","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-Amino-4-(4-cholorophenyl)-7-diphenyl-6,7-dihydro-5H-pyrazolo [3,4-h]quinolone-3-carbonitrile","2-Amino-4-(4-cholorophenyl)-7-diphenyl-6,7-dihydro-5H-pyrazolo [3,4-h]quinolone-3-carbonitrile","","- C23 H16 Cl N5 -","- C23 H16 Cl N5 -","- C92 H64 Cl4 N20 -","4","2","","Shylaja, Adaikalam; Roja, Somi Santharam; Priya, Rakkappan Vishnu; Kumar, Raju Ranjith","Four-Component Domino Synthesis of Pyrazolo[3,4- h]quinoline-3-carbonitriles: ""Turn-Off"" Fluorescent Chemosensor for Fe<sup>3+</sup> Ions.","The Journal of organic chemistry","2018","83","22","14084","14090","10.1021/acs.joc.8b01991","","","1.54178","CuKα","","0.0836","0.0655","","","0.1597","0.1633","","","","","","1.434","","","","has coordinates","226354","2020-10-21","18:00:00",""
"4034835","9.871","0.0006","12.4156","0.0008","20.595","0.0011","90","","90","","90","","2524","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 B F4 N4 S -","- C22 H35 B F4 N4 S -","- C88 H140 B4 F16 N16 S4 -","4","1","","Smajlagic, Ivor; Durán, Rocio; Pilkington, Melanie; Dudding, Travis","Cyclopropenium Enhanced Thiourea Catalysis.","The Journal of organic chemistry","2018","83","22","13973","13980","10.1021/acs.joc.8b02321","","","0.71073","MoKα","","0.0486","0.0434","","","0.0848","0.0861","","","","","","1.607","","","","has coordinates","226355","2020-10-21","18:00:00",""
"4034836","13.876","0.0016","8.3029","0.001","16.3492","0.0019","90","","109.509","0.002","90","","1775.5","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","Liu, Si-Wei; Gao, Ying-Juan; Shi, Yin; Zhou, Lin; Tang, Xue; Cui, Hai-Lei","Synthesis of Benzoindolizines through 1,5-Electrocyclization/Oxidation Cascades.","The Journal of organic chemistry","2018","83","22","13754","13764","10.1021/acs.joc.8b02065","","","0.71073","MoKα","","0.0732","0.0438","","","0.106","0.1241","","","","","","1.021","","","","has coordinates","226356","2020-10-21","18:00:00",""
"4034837","49.965","0.003","11.2745","0.0006","17.0005","0.0009","90","","106.754","0.002","90","","9170.4","0.9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 F3 O2 -","- C20 H11 F3 O2 -","- C480 H264 F72 O48 -","24","3","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.1221","0.0714","","","0.1321","0.1494","","","","","","1.101","","","","has coordinates","226357","2020-10-21","18:00:00",""
"4034838","16.332","0.0007","5.8285","0.0003","18.1478","0.0009","90","","110.894","0.002","90","","1613.91","0.14","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br O2 -","- C20 H15 Br O2 -","- C80 H60 Br4 O8 -","4","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0784","0.0435","","","0.0665","0.0742","","","","","","1.077","","","","has coordinates","226358","2020-10-21","18:00:00",""
"4034839","18.9528","0.0012","8.6413","0.0004","20.2208","0.0012","90","","90","","90","","3311.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F O2 -","- C22 H17 F O2 -","- C176 H136 F8 O16 -","8","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0874","0.048","","","0.0998","0.119","","","","","","1.067","","","","has coordinates","226359","2020-10-21","18:00:00",""
"4034840","8.8809","0.0007","9.9983","0.0008","12.0332","0.001","93.22","0.003","110.773","0.003","94.323","0.003","992.23","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 F O6 -","- C24 H21 F O6 -","- C48 H42 F2 O12 -","2","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0495","0.0414","","","0.1038","0.1081","","","","","","1.047","","","","has coordinates","226360","2020-10-21","18:00:00",""
"4034841","8.7051","0.0003","17.9724","0.0006","10.7664","0.0004","90","","112.431","0.001","90","","1556.98","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br N2 O2 -","- C18 H13 Br N2 O2 -","- C72 H52 Br4 N8 O8 -","4","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0778","0.0454","","","0.0799","0.092","","","","","","1.038","","","","has coordinates","226361","2020-10-21","18:00:00",""
"4034842","7.7883","0.0004","11.6157","0.0006","18.1845","0.001","90","","90","","90","","1645.09","0.15","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0606","0.0447","","","0.0948","0.1014","","","","","","1.055","","","","has coordinates","226362","2020-10-21","18:00:00",""
"4034843","8.002","0.005","10.041","0.006","14.272","0.009","90","","101.839","0.01","90","","1122.3","1.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl N3 O5 -","- C24 H22 Cl N3 O5 -","- C48 H44 Cl2 N6 O10 -","2","1","","Kato, Shuma; Suzuki, Yuko; Suzuki, Kota; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Silver-Catalyzed Diastereo- and Enantioselective Michael Addition and 1,3-Dipolar Cycloaddition Reactions of Imino Esters to 3-Methyl-4-nitro-5-styrylisoxazoles.","The Journal of organic chemistry","2018","83","22","13965","13972","10.1021/acs.joc.8b02309","","","0.71075","MoKα","","0.0675","0.048","","","0.089","0.0998","","","","","","0.96","","","","has coordinates","226363","2020-10-21","18:00:00",""
"4034844","9.8988","0.0007","10.1507","0.0007","10.2605","0.0008","111.653","0.002","95.303","0.002","114.76","0.002","832.05","0.11","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C36 H36 O10 S2 -","2","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","","0.71073","MoKα","","0.0662","0.0477","","","0.1223","0.1355","","","","","","1.017","","","","has coordinates","226364","2020-10-21","18:00:00",""
"4034845","18.081","0.002","16.06","0.002","13.683","0.003","90","","97.75","0.014","90","","3937","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 Br O4 S -","- C22 H17 Br O4 S -","- C176 H136 Br8 O32 S8 -","8","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","x-ray","0.71073","MoKα","","0.0886","0.0501","","","0.126","0.1739","","","","","","0.977","","","","has coordinates","226365","2020-10-21","18:00:00",""
"4034846","9.945","0.0017","9.9498","0.0015","18.21","0.003","90","","103.549","0.018","90","","1751.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O7 S -","- C18 H18 O7 S -","- C72 H72 O28 S4 -","4","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","x-ray","0.71073","MoKα","","0.086","0.0721","","","0.1844","0.1967","","","","","","1.326","","","","has coordinates","226366","2020-10-21","18:00:00",""
"4034847","8.7061","0.0007","10.3173","0.0007","12.389","0.0008","78.715","0.006","73.044","0.007","87.566","0.006","1043.74","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 F O3 S2 -","- C22 H21 F O3 S2 -","- C44 H42 F2 O6 S4 -","2","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","x-ray","0.71073","MoKα","","0.0511","0.0416","","","0.1342","0.1446","","","","","","1.072","","","","has coordinates","226367","2020-10-21","18:00:00",""
"4034848","9.7362","0.0008","14.1432","0.0011","15.9734","0.0012","105.417","0.004","90.289","0.004","98.775","0.004","2093.2","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C3.5 H3 Cl0.33 O0.5 S0.33 -","- C3.5 H2.91667 Cl0.333333 O0.5 S0.333333 -","- C84 H70 Cl8 O12 S8 -","24","12","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","","1.54178","CuKα","","0.1533","0.1086","","","0.2805","0.3136","","","","","","1.049","","","","has coordinates","226368","2020-10-21","18:00:00",""
"4034849","29.068","0.003","8.7264","0.0008","17.6647","0.0017","90","","98.078","0.01","90","","4436.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl O4 S -","- C22 H19 Cl O4 S -","- C176 H152 Cl8 O32 S8 -","8","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","","0.71073","MoKα","","0.099","0.0536","","","0.1284","0.149","","","","","","0.952","","","","has coordinates,has disorder","226369","2020-10-21","18:00:00",""
"4034850","7.312","0.003","8.177","0.003","27.472","0.011","90","","91.36","0.004","90","","1642.1","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 S -","- C20 H16 N2 O2 S -","- C80 H64 N8 O8 S4 -","4","1","","Xiao, Xinsheng; Jia, Guokai; Liu, Fang; Ou, Guangchuan; Xie, Ying","RuHCl(CO)(PPh<sub>3</sub>)<sub>3</sub>-Catalyzed Direct Amidation of Arene C-H Bond with Azides.","The Journal of organic chemistry","2018","83","22","13811","13820","10.1021/acs.joc.8b02123","","","0.71073","MoKα","","0.0479","0.0424","","","0.1204","0.1255","","","","","","1.039","","","","has coordinates","226370","2020-10-21","18:00:00",""
"4034851","14.355","0.0007","14.3892","0.0007","14.7769","0.0007","90","","114.37","0.002","90","","2780.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 N O2 -","- C35 H33 N O2 -","- C140 H132 N4 O8 -","4","1","","Wu, Xin-Xing; Liu, Anjia; Mou, Mou; Chen, Hengfan; Chen, Shufeng","Palladium-Catalyzed Cascade Carbopalladation/Phenol Dearomatization Reaction: Construction of Diversely Functionalized Spirocarbocyclic Scaffolds.","The Journal of organic chemistry","2018","83","22","14181","14194","10.1021/acs.joc.8b02363","","","0.71073","MoKα","","0.0662","0.0533","","","0.1387","0.1541","","","","","","1.037","","","","has coordinates","226371","2020-10-21","18:00:00",""
"4034852","8.7721","0.0006","10.9916","0.0007","11.762","0.0008","71.533","0.002","76.722","0.002","68.484","0.002","992.41","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Cl3 N2 S -","- C22 H15 Cl3 N2 S -","- C44 H30 Cl6 N4 S2 -","2","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Orenes, Raul-Angel; Pastor, Aurelia; Sanchez-Andrada, Pilar; Vidal, Angel","Exploring the Conversion of Macrocyclic 2,2'-Biaryl Bis(thioureas) into Cyclic Monothioureas: An Experimental and Computational Investigation.","The Journal of organic chemistry","2018","83","22","14022","14035","10.1021/acs.joc.8b02496","","","1.54178","CuKα","","0.0391","0.0361","","","0.0918","0.0944","","","","","","1.066","","","","has coordinates","226372","2020-10-21","18:00:00",""
"4034853","19.3518","0.001","16.6426","0.0009","26.0808","0.0014","90","","103.78","0.002","90","","8157.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13.28571 H10.42857 N2.14286 S -","- C13.2857 H10.4286 N2.14286 S -","- C372 H292 N60 S28 -","28","7","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Orenes, Raul-Angel; Pastor, Aurelia; Sanchez-Andrada, Pilar; Vidal, Angel","Exploring the Conversion of Macrocyclic 2,2'-Biaryl Bis(thioureas) into Cyclic Monothioureas: An Experimental and Computational Investigation.","The Journal of organic chemistry","2018","83","22","14022","14035","10.1021/acs.joc.8b02496","","","1.54178","CuKα","","0.0411","0.034","","","0.0826","0.0868","","","","","","1.058","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4034854","19.118","0.0006","9.6242","0.0003","13.9894","0.0004","90","","120.51","0.001","90","","2217.59","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N4 S2 -","- C26 H20 N4 S2 -","- C104 H80 N16 S8 -","4","0.5","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Orenes, Raul-Angel; Pastor, Aurelia; Sanchez-Andrada, Pilar; Vidal, Angel","Exploring the Conversion of Macrocyclic 2,2'-Biaryl Bis(thioureas) into Cyclic Monothioureas: An Experimental and Computational Investigation.","The Journal of organic chemistry","2018","83","22","14022","14035","10.1021/acs.joc.8b02496","","","1.54178","CuKα","","0.0421","0.0373","","","0.091","0.094","","","","","","1.122","","","","has coordinates","226374","2020-10-21","18:00:00",""
"4034855","9.4912","0.0008","9.683","0.0007","11.2408","0.001","83.928","0.006","81.695","0.007","69.792","0.007","957.57","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Obydennov, Dmitrii L.; El-Tantawy, Asmaa I; Sosnovskikh, Vyacheslav Y.","Synthesis of Multifunctionalized 2,3-Dihydro-4-pyridones and 4-Pyridones via the Reaction of Carbamoylated Enaminones with Aldehydes.","The Journal of organic chemistry","2018","83","22","13776","13786","10.1021/acs.joc.8b02075","","","0.71073","MoKα","","0.1137","0.0637","","","0.1615","0.2151","","","","","","1.007","","","","has coordinates","226375","2020-10-21","18:00:00",""
"4034856","11.2787","0.0002","10.57881","0.00017","31.2091","0.0005","90","","90","","90","","3723.72","0.11","100.01","0.1","100.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 O -","- C29 H16 O -","- C232 H128 O8 -","8","1","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","1.54184","CuKα","","0.0547","0.0408","","","0.1096","0.122","","","","","","1.009","","","","has coordinates","226376","2020-10-21","18:00:00",""
"4034857","12.692","0.0018","12.8497","0.0014","19.663","0.005","94.683","0.014","107.646","0.017","90.179","0.01","3044.4","1","100.3","0.1","100.3","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C47.38 H28 O1.5 -","- C47.375 H28 O1.5 -","- C189.5 H112 O6 -","4","2","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","1.54184","CuKα","","0.2153","0.1121","","","0.2665","0.3595","","","","","","1.027","","","","has coordinates,has disorder","226377","2020-10-21","18:00:00",""
"4034858","12.7858","0.0006","9.8955","0.0005","11.8458","0.0006","90","","94.954","0.005","90","","1493.15","0.13","100.01","0.01","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O -","- C24 H14 O -","- C96 H56 O4 -","4","1","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","1.54184","CuKα","","0.0747","0.0513","","","0.1323","0.1517","","","","","","1.036","","","","has coordinates","226378","2020-10-21","18:00:00",""
"4034859","10.0272","0.0002","15.6481","0.0004","13.5191","0.0004","90","","109.497","0.003","90","","1999.6","0.1","120","0.1","120","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 O -","- C31 H20 O -","- C124 H80 O4 -","4","1","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","0.71","MoKα","","0.0592","0.0491","","","0.1352","0.1435","","","","","","1.039","","","","has coordinates","226379","2020-10-21","18:00:00",""
"4034860","8.4239","0.0004","16.551","0.0007","7.518","0.0003","90","","90","","90","","1048.19","0.08","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C9 H11 Cl3 O -","- C9 H11 Cl3 O -","- C36 H44 Cl12 O4 -","4","1","","Sharp, Phillip P.; Mikusek, Jiri; Ho, Junming; Krenske, Elizabeth H.; Banwell, Martin G.; Coote, Michelle L.; Ward, Jas S.; Willis, Anthony C.","Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate.","The Journal of organic chemistry","2018","83","22","13678","13690","10.1021/acs.joc.8b01766","","","0.71073","MoKα","","0.0251","0.0218","","0.0281","0.0263","0.0263","","","","","","1.1034","","","","has coordinates","226380","2020-10-21","18:00:00",""
"4034861","7.4888","0.0005","8.8924","0.0006","9.2043","0.0006","83.085","0.006","86.309","0.006","81.87","0.006","601.67","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Br2 Cl O -","- C10 H13 Br2 Cl O -","- C20 H26 Br4 Cl2 O2 -","2","1","","Sharp, Phillip P.; Mikusek, Jiri; Ho, Junming; Krenske, Elizabeth H.; Banwell, Martin G.; Coote, Michelle L.; Ward, Jas S.; Willis, Anthony C.","Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate.","The Journal of organic chemistry","2018","83","22","13678","13690","10.1021/acs.joc.8b01766","","x-ray","0.71073","MoKα","","0.0623","0.0404","","","0.082","0.0982","","","","","","1.064","","","","has coordinates","226381","2020-10-21","18:00:00",""
"4034862","7.3031","0.0006","8.917","0.0007","9.1413","0.0008","81.507","0.007","85.452","0.007","80.354","0.007","579.54","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 Cl3 O -","- C10 H13 Cl3 O -","- C20 H26 Cl6 O2 -","2","1","","Sharp, Phillip P.; Mikusek, Jiri; Ho, Junming; Krenske, Elizabeth H.; Banwell, Martin G.; Coote, Michelle L.; Ward, Jas S.; Willis, Anthony C.","Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate.","The Journal of organic chemistry","2018","83","22","13678","13690","10.1021/acs.joc.8b01766","","x-ray","0.71073","MoKα","","0.0602","0.0412","","","0.0774","0.0913","","","","","","1.058","","","","has coordinates","226382","2020-10-21","18:00:00",""
"4034863","8.6493","0.0003","11.5382","0.0004","39.4347","0.0014","90","","90","","90","","3935.5","0.2","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H48 O10 -","- C45 H48 O10 -","- C180 H192 O40 -","4","1","","Zhang, Rui; Tang, Chunping; Liu, Hong-Chun; Ren, Yongmei; Xu, Cheng-Hui; Ke, Chang-Qiang; Yao, Sheng; Huang, Xun; Ye, Yang","Ainsliatriolides A and B, Two Guaianolide Trimers from Ainsliaea fragrans and Their Cytotoxic Activities.","The Journal of organic chemistry","2018","83","22","14175","14180","10.1021/acs.joc.8b02346","","","1.54178","CuKα","","0.0359","0.0337","","","0.0916","0.0934","","","","","","1.027","","","","has coordinates","226383","2020-10-21","18:00:00",""
"4034864","14.8145","0.0014","15.5156","0.0015","19.1787","0.0019","90","","90","","90","","4408.3","0.7","205","","205","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H50 O13 -","- C45 H50 O13 -","- C180 H200 O52 -","4","1","","Zhang, Rui; Tang, Chunping; Liu, Hong-Chun; Ren, Yongmei; Xu, Cheng-Hui; Ke, Chang-Qiang; Yao, Sheng; Huang, Xun; Ye, Yang","Ainsliatriolides A and B, Two Guaianolide Trimers from Ainsliaea fragrans and Their Cytotoxic Activities.","The Journal of organic chemistry","2018","83","22","14175","14180","10.1021/acs.joc.8b02346","","","1.54178","CuKα","","0.0437","0.0403","","","0.1147","0.1175","","","","","","1.038","","","","has coordinates","226384","2020-10-21","18:00:00",""
"4034865","12.4751","0.0004","19.2998","0.0003","24.0776","0.0007","90","","128.667","0.005","90","","4526.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N3 O4 S2 -","- C25 H19 N3 O4 S2 -","- C200 H152 N24 O32 S16 -","8","2","","Lu, Shuai; Tian, Lu-Lu; Cui, Tian-Wei; Zhu, Yu-Shen; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Copper-Mediated C-H Amination of Imidazopyridines with N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2018","83","22","13991","14000","10.1021/acs.joc.8b02348","","x-ray","1.54184","CuKα","","0.0583","0.047","","","0.1432","0.1555","","","","","","1.072","","","","has coordinates","226385","2020-10-21","18:00:00",""
"4034866","8.5148","0.0009","20.027","0.002","21.654","0.002","90","","90","","90","","3692.6","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 Cl3 N4 O4 -","- C39 H43 Cl3 N4 O4 -","- C156 H172 Cl12 N16 O16 -","4","1","","Feng, Lei; Gao, Guangpeng; Zhao, Hongmei; Zheng, Li; Wang, Yu; Stavropoulos, Pericles; Ai, Lin; Zhang, Jiaxin","Synthesis of Tripeptide Derivatives with Three Stereogenic Centers and Chiral Recognition Probed by Tetraaza Macrocyclic Chiral Solvating Agents Derived from d-Phenylalanine and (1 S,2 S)-(+)-1,2-Diaminocyclohexane via <sup>1</sup>H NMR Spectroscopy.","The Journal of organic chemistry","2018","83","22","13874","13887","10.1021/acs.joc.8b02212","","","0.71073","MoKα","","0.0446","0.04","","","0.1068","0.1101","","","","","","1.047","","","","has coordinates","226386","2020-10-21","18:00:00",""
"4034867","15.809","0.003","37.886","0.008","26.539","0.005","90","","92.29","0.03","90","","15883","5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H40 Cl2 N4 O4 -","- C38 H40 Cl2 N4 O4 -","- C608 H640 Cl32 N64 O64 -","16","8","","Feng, Lei; Gao, Guangpeng; Zhao, Hongmei; Zheng, Li; Wang, Yu; Stavropoulos, Pericles; Ai, Lin; Zhang, Jiaxin","Synthesis of Tripeptide Derivatives with Three Stereogenic Centers and Chiral Recognition Probed by Tetraaza Macrocyclic Chiral Solvating Agents Derived from d-Phenylalanine and (1 S,2 S)-(+)-1,2-Diaminocyclohexane via <sup>1</sup>H NMR Spectroscopy.","The Journal of organic chemistry","2018","83","22","13874","13887","10.1021/acs.joc.8b02212","","","0.71073","MoKα","","0.1138","0.1032","","","0.2902","0.3035","","","","","","1.081","","","","has coordinates","226387","2020-10-21","18:00:00",""
"4034868","10.2343","0.001","22.018","0.002","19.33","0.0019","90","","91.074","0.002","90","","4355","0.7","172","2","172","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 F3 O3.5 P2 Pd S -","- C50 H44 F3 O3.5 P2 Pd S -","- C200 H176 F12 O14 P8 Pd4 S4 -","4","1","","Zhang, Sheng; Yamamoto, Yoshinori; Bao, Ming","Palladium-Catalyzed Ligand-Controlled Regioselective Nucleophilic Aromatic Substitution of 1-(Chloromethyl)naphthalenes with Arylacetonitriles.","The Journal of organic chemistry","2018","83","22","13981","13990","10.1021/acs.joc.8b02343","","","0.71073","MoKα","","0.1175","0.0905","","","0.2009","0.2124","","","","","","0.994","","","","has coordinates,has disorder","276331","2022-06-28","15:21:15",""
"4034869","21.679","0.006","8.287","0.002","15.398","0.005","90","","106.663","0.005","90","","2650.1","1.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","1","","Zhang, Sheng; Yamamoto, Yoshinori; Bao, Ming","Palladium-Catalyzed Ligand-Controlled Regioselective Nucleophilic Aromatic Substitution of 1-(Chloromethyl)naphthalenes with Arylacetonitriles.","The Journal of organic chemistry","2018","83","22","13981","13990","10.1021/acs.joc.8b02343","","","0.71073","MoKα","","0.0523","0.041","","","0.1122","0.118","","","","","","1.079","","","","has coordinates","276331","2022-06-28","15:21:16",""
"4034870","16.0549","0.0014","6.3429","0.0006","27.394","0.003","90","","90","","90","","2789.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cl O -","- C18 H13 Cl O -","- C144 H104 Cl8 O8 -","8","1","","Zhang, Sheng; Yamamoto, Yoshinori; Bao, Ming","Palladium-Catalyzed Ligand-Controlled Regioselective Nucleophilic Aromatic Substitution of 1-(Chloromethyl)naphthalenes with Arylacetonitriles.","The Journal of organic chemistry","2018","83","22","13981","13990","10.1021/acs.joc.8b02343","","","0.71073","MoKα","","0.0793","0.0463","","","0.1299","0.1488","","","","","","1.022","","","","has coordinates","276331","2022-06-28","15:21:16",""
"4034871","9.5733","0.0003","11.0102","0.0005","12.0302","0.0004","77.447","0.004","67.451","0.003","85.529","0.003","1143.08","0.08","150","","150","","","","","","","","local","3","P -1","-P 1","2","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","","Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.","The Journal of organic chemistry","2018","83","22","14049","14056","10.1021/acs.joc.8b02626","","","1.54184","CuKα","","0.0439","0.0406","","0.1094","0.1063","0.1094","","","","","","0.9894","","","","has coordinates","226391","2020-10-21","18:00:00",""
"4034872","9.5839","0.0001","12.703","0.0001","24.8305","0.0003","90","","90","","90","","3022.97","0.05","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O2 -","- C16 H28 O2 -","- C128 H224 O16 -","8","2","","Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.","The Journal of organic chemistry","2018","83","22","14049","14056","10.1021/acs.joc.8b02626","","x-ray","1.54184","CuKα","","0.04","0.0396","","","0.1085","0.1092","","","","","","1.037","","","","has coordinates","226392","2020-10-21","18:00:00",""
"4034873","6.3617","0.0002","8.7528","0.0002","26.7339","0.0007","90","","90","","90","","1488.62","0.07","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O2 -","- C16 H28 O2 -","- C64 H112 O8 -","4","1","","Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.","The Journal of organic chemistry","2018","83","22","14049","14056","10.1021/acs.joc.8b02626","","x-ray","1.54184","CuKα","","0.0513","0.0449","","","0.1091","0.1125","","","","","","1.034","","","","has coordinates","226393","2020-10-21","18:00:00",""
"4034874","28.813","0.002","28.813","0.002","6.1244","0.0007","90","","90","","90","","5084.4","0.8","93","","93","","","","","","","","","4","I 4","I 4","79","","","","- C26 H40 O5.25 Si -","- C26 H40 O5.0625 Si -","- C208 H320 O40.5 Si8 -","8","1","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","0.71073","MoKα","","0.0699","0.0584","","","0.1425","0.1485","","","","","","1.053","","","","has coordinates,has disorder","226394","2020-10-21","18:00:00",""
"4034875","6.7367","0.0003","22.9731","0.0007","16.5877","0.0012","90","","90.862","0.007","90","","2566.9","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 O5 Si -","- C26 H40 O5 Si -","- C104 H160 O20 Si4 -","4","2","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","1.54187","CuKα","","","0.0448","","","","0.1057","","","","","","1.032","","","","has coordinates","226395","2020-10-21","18:00:00",""
"4034876","18.622","0.003","14.558","0.002","13.376","0.002","90","","124.061","0.002","90","","3004.1","0.8","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H39 Br Cl2 O7 -","- C31 H39 Br Cl2 O7 -","- C124 H156 Br4 Cl8 O28 -","4","1","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","0.71073","MoKα","","0.0865","0.0613","","","0.1364","0.1495","","","","","","1.041","","","","has coordinates,has disorder","226396","2020-10-21","18:00:00",""
"4034877","13.866","0.002","9.4032","0.0015","22.169","0.004","90","","90","","90","","2890.5","0.8","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C128 H128 O32 S8 -","8","1","","Gao, Yuzhen; Zhang, Pengbo; Li, Gang; Zhao, Yufen","Cascade Annulation of 2-Alkynylthioanisoles with Unsaturated α-Bromocarbonyls Leading to Thio-Benzobicyclic Skeletons.","The Journal of organic chemistry","2018","83","22","13726","13733","10.1021/acs.joc.8b02001","","","0.71073","MoKα","","0.0667","0.0609","","","0.1888","0.1982","","","","","","0.764","","","","has coordinates","226397","2020-10-21","18:00:00",""
"4034878","19.084","0.004","7.094","0.0012","19.804","0.003","90","","104.739","0.018","90","","2592.9","0.8","295","2","295.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-((1E,3E)-4-(4-chlorophenyl)buta-1,3-dien-1-yl)-1-tosyl-1H-indole","","- C31 H24 Cl N O2 S -","- C31 H24 Cl N O2 S -","- C124 H96 Cl4 N4 O8 S4 -","4","1","","Makarov, Anton S.; Uchuskin, Maxim G.; Gevorgyan, Vladimir","Intramolecular Palladium-Catalyzed Oxidative Amination of Furans: Synthesis of Functionalized Indoles.","The Journal of organic chemistry","2018","83","22","14010","14021","10.1021/acs.joc.8b02470","","x-ray","0.71073","MoKα","","0.104","0.0542","","","0.1293","0.1616","","","","","","0.985","","","","has coordinates","226398","2020-10-21","18:00:00",""
"4034879","11.655","0.003","28.028","0.006","7.709","0.002","90","","100.72","0.03","90","","2474.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cl N O2 S -","- C31 H22 Cl N O2 S -","- C124 H88 Cl4 N4 O8 S4 -","4","1","","Makarov, Anton S.; Uchuskin, Maxim G.; Gevorgyan, Vladimir","Intramolecular Palladium-Catalyzed Oxidative Amination of Furans: Synthesis of Functionalized Indoles.","The Journal of organic chemistry","2018","83","22","14010","14021","10.1021/acs.joc.8b02470","","x-ray","0.71073","MoKα","","0.2182","0.1092","","","0.2409","0.3253","","","","","","1.0444","","","","has coordinates","226399","2020-10-21","18:00:00",""
"4034880","9.3106","0.0008","8.6278","0.0006","29.283","0.003","90","","93.252","0.008","90","","2348.5","0.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Br N2 O2 S2 -","- C25 H21 Br N2 O2 S2 -","- C100 H84 Br4 N8 O8 S8 -","4","1","","Wu, Li; Li, Zhenmin; Lu, Ping; Wang, Yanguang","Copper-Catalyzed Syntheses of 3-Allyl-3-arylthioindolin-2-imines and 3-Allenyl-3-arylthioindolin-2-imines from 3-Diazoindolin-2-imines.","The Journal of organic chemistry","2018","83","22","13956","13964","10.1021/acs.joc.8b02307","","","0.71073","MoKα","","0.0962","0.0597","","","0.12","0.1389","","","","","","1.02","","","","has coordinates","226400","2020-10-21","18:00:00",""
"4034881","13.2579","0.0002","26.1617","0.0004","6.9156","0.0001","90","","101.944","0.002","90","","2346.74","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1S,8S)-tert-butyl 8-(3-bromophenyl)-6-(4-fluorobenzyl)-7-oxo-2,6-diazabicyclo[6.1.0]nonane-2-carboxylate","","- C25 H28 Br F N2 O3 -","- C25 H28 Br F N2 O3 -","- C100 H112 Br4 F4 N8 O12 -","4","1","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0352","0.0293","","","0.0731","0.0771","","","","","","1.038","","","","has coordinates","226401","2020-10-21","18:00:00",""
"4034882","12.4593","0.0002","6.8297","0.0001","13.4353","0.0002","90","","101.635","0.001","90","","1119.76","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,7S)-tert-butyl 5-benzyl-7-(3-chlorophenyl)-6-oxo-2,5-diazabicyclo[5.1.0]octane-2-carboxylate","","- C24 H27 Cl N2 O3 -","- C24 H27 Cl N2 O3 -","- C48 H54 Cl2 N4 O6 -","2","1","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0366","0.033","","","0.0873","0.0907","","","","","","1.061","","","","has coordinates","226402","2020-10-21","18:00:00",""
"4034883","46.2855","0.0008","9.98373","0.00017","11.17619","0.00019","90","","96.7896","0.0017","90","","5128.32","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 6-oxo-5,7,8-triphenyl-2,5-diazabicyclo[5.1.0]octane-2-carboxylate","","- C30 H32 N2 O3 -","- C30 H32 N2 O3 -","- C240 H256 N16 O24 -","8","2","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0573","0.053","","","0.1411","0.1472","","","","","","1.047","","","","has coordinates","226403","2020-10-21","18:00:00",""
"4034884","10.1247","0.0001","13.3032","0.0001","18.0026","0.0001","90","","90","","90","","2424.79","0.03","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,4S,7S)-tert-butyl 5-benzyl-7-(4-hydroxyphenyl)-4-isopropyl-6-oxo-2,5-diazabicyclo[5.1.0]octane-2-carboxylate","","- C27 H33 F N2 O3 -","- C27 H33 F N2 O3 -","- C108 H132 F4 N8 O12 -","4","1","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0261","0.0259","","","0.0668","0.067","","","","","","1.069","","","","has coordinates","226404","2020-10-21","18:00:00",""
"4034885","9.7058","0.0008","8.7259","0.0007","10.6058","0.0009","90","","93.731","0.002","90","","896.32","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Br O2 -","- C9 H11 Br O2 -","- C36 H44 Br4 O8 -","4","1","","Kim, Simon J.; Lough, Alan J.; Batey, Robert A.","An Approach to the 9-Oxo-10-oxabicyclo[5.3.0]dec-2-ene Core of the Guaianolide and Pseudoguaianolide Sesquiterpenes via a Domino Electrocyclic Ring-Opening/Carboxylic Acid Trapping of a gem-Dibromocyclopropane.","The Journal of organic chemistry","2018","83","22","13799","13810","10.1021/acs.joc.8b02081","","","0.71073","MoKα","","0.0464","0.0353","","","0.0748","0.081","","","","","","1.071","","","","has coordinates,has disorder","226405","2020-10-21","18:00:00",""
"4034886","8.6931","0.0006","10.0516","0.0007","9.0312","0.0007","90","","97.883","0.002","90","","781.69","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Br O2 -","- C8 H9 Br O2 -","- C32 H36 Br4 O8 -","4","1","","Kim, Simon J.; Lough, Alan J.; Batey, Robert A.","An Approach to the 9-Oxo-10-oxabicyclo[5.3.0]dec-2-ene Core of the Guaianolide and Pseudoguaianolide Sesquiterpenes via a Domino Electrocyclic Ring-Opening/Carboxylic Acid Trapping of a gem-Dibromocyclopropane.","The Journal of organic chemistry","2018","83","22","13799","13810","10.1021/acs.joc.8b02081","","","0.71073","MoKα","","0.0233","0.0176","","","0.0438","0.046","","","","","","1.079","","","","has coordinates","226406","2020-10-21","18:00:00",""
"4034887","8.0587","0.0006","8.869","0.0007","10.2746","0.0008","82.634","0.003","75.552","0.003","88.084","0.003","705.26","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0405","0.0354","","","0.0889","0.0928","","","","","","1.053","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034888","22.457","0.003","5.2177","0.0007","25.976","0.003","90","","95.828","0.004","90","","3028","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0983","0.0561","","","0.1437","0.1661","","","","","","1.057","","","","has coordinates,has disorder","226407","2020-10-21","18:00:00",""
"4034889","6.8432","0.0002","18.7402","0.0007","11.7029","0.0004","90","","91.367","0.002","90","","1500.39","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0542","0.0421","","","0.1042","0.1116","","","","","","1.067","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034890","12.0101","0.0014","10.6094","0.0013","15.9081","0.0019","90","","111.667","0.003","90","","1883.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0542","0.0388","","","0.0968","0.1079","","","","","","1.022","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034891","35.856","0.006","5.1944","0.001","19.808","0.003","90","","118.174","0.01","90","","3252.1","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 O4.5 -","- C19 H23 O4.5 -","- C152 H184 O36 -","8","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.1516","0.1046","","","0.2618","0.2804","","","","","","1.236","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034892","7.5282","0.0006","8.2601","0.0007","13.8286","0.0012","93.465","0.004","104.206","0.003","116.505","0.003","731.54","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C36 H32 O10 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0427","0.0392","","","0.1054","0.1079","","","","","","1.134","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034893","9.1643","0.0002","15.052","0.0003","21.5352","0.0005","90","","90","","90","","2970.59","0.11","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Ryu, Heesun; Seo, Jeongseob; Ko, Haye Min","Synthesis of Spiro[oxindole-3,2'-pyrrolidine] Derivatives from Benzynes and Azomethine Ylides through 1,3-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","22","14102","14109","10.1021/acs.joc.8b02117","","","0.71073","MoKα","","0.0582","0.0444","","","0.1056","0.1138","","","","","","1.034","","","","has coordinates","226408","2020-10-21","18:00:00",""
"4034894","7.9342","0.0017","16.527","0.004","21.431","0.005","90","","90","","90","","2810.2","1.1","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H12 O2 S -","- C20 H12 O2 S -","- C160 H96 O16 S8 -","8","1","","Shi, Juan; Kang, Yang; Wang, Tao; Liang, Yong; Zhang, Zunting","Synthesis of Polycyclic Heteroaromatic Coumarins via Photoinduced Dehydrogenative Annulation of 4-Phenyl-3-heteroarylcoumarins.","The Journal of organic chemistry","2018","83","22","13940","13948","10.1021/acs.joc.8b02290","","","1.54178","CuKα","","0.0551","0.0444","","","0.1175","0.1201","","","","","","1.109","","","","has coordinates","226409","2020-10-21","18:00:00",""
"4034895","19.682","0.003","12.2539","0.0016","20.071","0.003","90","","97.184","0.003","90","","4802.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H20 O2 S2 -","- C87 H20 O2 S2 -","- C348 H80 O8 S8 -","4","1","","He, Fa-Gui; Li, Zong-Jun; Yang, Wei-Wei; Gao, Xiang","Synthesis of (MeO)<sub>2</sub>Bn<sub>2</sub>C<sub>70</sub>: Regiochemistry of 2-fold Additions to C<sub>70</sub> with Addends That Are Preferential for Ortho Addition and Capable of Para Addition.","The Journal of organic chemistry","2018","83","22","13716","13725","10.1021/acs.joc.8b01977","","","0.71073","MoKα","","0.1646","0.0877","","","0.143","0.1702","","","","","","1.077","","","","has coordinates","226410","2020-10-21","18:00:00",""
"4034896","10.1383","0.0009","26.353","0.002","34.019","0.003","90","","90","","90","","9089","1.3","293","2","293","2","","","","","","","","3","F d 2 d","F -2d -2d","43","","","","- C86 H20 O2 -","- C86 H20 O2 -","- C688 H160 O16 -","8","0.5","","He, Fa-Gui; Li, Zong-Jun; Yang, Wei-Wei; Gao, Xiang","Synthesis of (MeO)<sub>2</sub>Bn<sub>2</sub>C<sub>70</sub>: Regiochemistry of 2-fold Additions to C<sub>70</sub> with Addends That Are Preferential for Ortho Addition and Capable of Para Addition.","The Journal of organic chemistry","2018","83","22","13716","13725","10.1021/acs.joc.8b01977","","","0.71073","MoKα","","0.1006","0.0608","","","0.1127","0.1332","","","","","","1.041","","","","has coordinates","226411","2020-10-21","18:00:00",""
"4034897","10.9355","0.0007","19.3692","0.0012","23.4651","0.0014","90","","91.993","0.001","90","","4967.2","0.5","190","2","190","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C86 H20 O2 -","- C86 H20 O2 -","- C344 H80 O8 -","4","1","","He, Fa-Gui; Li, Zong-Jun; Yang, Wei-Wei; Gao, Xiang","Synthesis of (MeO)<sub>2</sub>Bn<sub>2</sub>C<sub>70</sub>: Regiochemistry of 2-fold Additions to C<sub>70</sub> with Addends That Are Preferential for Ortho Addition and Capable of Para Addition.","The Journal of organic chemistry","2018","83","22","13716","13725","10.1021/acs.joc.8b01977","","","0.71073","MoKα","","0.1055","0.0662","","","0.1421","0.1584","","","","","","0.982","","","","has coordinates","226412","2020-10-21","18:00:00",""
"4034898","8.8193","0.0007","14.8781","0.001","12.257","0.0008","90","","108.396","0.002","90","","1526.11","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H44 Cl Ir N3 O P -","- C29 H44 Cl Ir N3 O P -","- C58 H88 Cl2 Ir2 N6 O2 P2 -","2","1","","Salomó, Ernest; Rojo, Pep; Hernández-Lladó, Pol; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic and Non-P-Stereogenic Ir-MaxPHOX in the Asymmetric Hydrogenation of N-Aryl Imines. Isolation and X-ray Analysis of Imine Iridacycles.","The Journal of organic chemistry","2018","83","8","4618","4627","10.1021/acs.joc.8b00361","","","0.71073","MoKα","","0.0349","0.0323","","","0.0841","0.0906","","","","","","1.034","","","","has coordinates","226413","2020-10-21","18:00:00",""
"4034899","10.079","0.0004","17.3965","0.0007","19.094","0.0007","90","","90","","90","","3347.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Cl3 Ir N3 O P -","- C30 H45 Cl3 Ir N3 O P -","- C120 H180 Cl12 Ir4 N12 O4 P4 -","4","1","","Salomó, Ernest; Rojo, Pep; Hernández-Lladó, Pol; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic and Non-P-Stereogenic Ir-MaxPHOX in the Asymmetric Hydrogenation of N-Aryl Imines. Isolation and X-ray Analysis of Imine Iridacycles.","The Journal of organic chemistry","2018","83","8","4618","4627","10.1021/acs.joc.8b00361","","","0.71073","MoKα","","0.0422","0.0335","","","0.0587","0.0614","","","","","","1.024","","","","has coordinates,has disorder","226414","2020-10-21","18:00:00",""
"4034900","8.7586","0.0004","10.9593","0.0005","16.2878","0.0007","90","","90","","90","","1563.44","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O7 -","- C18 H19 N O7 -","- C72 H76 N4 O28 -","4","1","","Borisova, Kseniya K.; Kvyatkovskaya, Elizaveta A.; Nikitina, Eugeniya V.; Aysin, Rinat R.; Novikov, Roman A.; Zubkov, Fedor I.","Classical Example of Total Kinetic and Thermodynamic Control: The Diels-Alder Reaction between DMAD and Bis-furyl Dienes.","The Journal of organic chemistry","2018","83","8","4840","4850","10.1021/acs.joc.8b00336","","","0.71073","MoKα","","0.0407","0.0346","","","0.0846","0.0876","","","","","","1.032","","","","has coordinates","226416","2020-10-21","18:00:00",""
"4034901","11.8081","0.0006","8.2915","0.0004","16.5801","0.0009","90","","91.337","0.001","90","","1622.86","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O7 -","- C18 H19 N O7 -","- C72 H76 N4 O28 -","4","1","","Borisova, Kseniya K.; Kvyatkovskaya, Elizaveta A.; Nikitina, Eugeniya V.; Aysin, Rinat R.; Novikov, Roman A.; Zubkov, Fedor I.","Classical Example of Total Kinetic and Thermodynamic Control: The Diels-Alder Reaction between DMAD and Bis-furyl Dienes.","The Journal of organic chemistry","2018","83","8","4840","4850","10.1021/acs.joc.8b00336","","","0.71073","MoKα","","0.0718","0.0483","","","0.1209","0.1289","","","","","","1.069","","","","has coordinates","226417","2020-10-21","18:00:00",""
"4034902","5.6312","0.0002","13.6957","0.0006","15.9894","0.0006","90","","90","","90","","1233.15","0.08","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","","Richardson, Mark B.; Brown, Derek B.; Vasquez, Carlos A.; Ziller, Joseph W.; Johnston, Kevin M.; Weiss, Gregory A.","Synthesis and Explosion Hazards of 4-Azido-l-phenylalanine.","The Journal of organic chemistry","2018","83","8","4525","4536","10.1021/acs.joc.8b00270","","","0.71073","MoKα","","0.027","0.0253","","","0.064","0.065","","","","","","1.062","","","","has coordinates","226418","2020-10-21","18:00:00",""
"4034903","10.0969","0.0003","24.9962","0.0007","13.2961","0.0004","90","","110.034","0.001","90","","3152.67","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl4 N O2 P -","- C34 H28 Cl4 N O2 P -","- C136 H112 Cl16 N4 O8 P4 -","4","1","","Hu, Chen; Hong, Gang; He, Yuchen; Zhou, Chen; Kozlowski, Marisa C.; Wang, Limin","Lewis Acid-Controlled Regioselective Phosphorylation of 2-Indolylmethanols with Diarylphosphine Oxides: Synthesis of Highly Substituted Indoles.","The Journal of organic chemistry","2018","83","8","4739","4753","10.1021/acs.joc.8b00541","","","0.71073","MoKα","","0.0798","0.0643","","","0.173","0.1898","","","","","","1.032","","","","has coordinates,has disorder","226419","2020-10-21","18:00:00",""
"4034904","13.4763","0.0008","18.3817","0.001","25.4001","0.0013","90","","90","","90","","6292","0.6","173","2","173.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl2 N O3 P -","- C37 H32 Cl2 N O3 P -","- C296 H256 Cl16 N8 O24 P8 -","8","1","","Hu, Chen; Hong, Gang; He, Yuchen; Zhou, Chen; Kozlowski, Marisa C.; Wang, Limin","Lewis Acid-Controlled Regioselective Phosphorylation of 2-Indolylmethanols with Diarylphosphine Oxides: Synthesis of Highly Substituted Indoles.","The Journal of organic chemistry","2018","83","8","4739","4753","10.1021/acs.joc.8b00541","","","0.71073","MoKα","","0.1197","0.0785","","","0.1926","0.2189","","","","","","1.043","","","","has coordinates,has disorder","226420","2020-10-21","18:00:00",""
"4034905","12.6198","0.0004","13.9656","0.0004","9.6933","0.0003","90","","90","","90","","1708.38","0.09","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H28 B F3 N2 -","- C15 H28 B F3 N2 -","- C60 H112 B4 F12 N8 -","4","1","","Mir, Roya; Dudding, Travis","Bis(amino)cyclopropenium Trifluoroborates: Synthesis, Hydrolytic Stability Studies, and DFT Insights.","The Journal of organic chemistry","2018","83","8","4384","4388","10.1021/acs.joc.8b00060","","","0.71073","MoKα","","0.048","0.0401","","","0.1043","0.1088","","","","","","1.051","","","","has coordinates","226421","2020-10-21","18:00:00",""
"4034906","9.637","0.003","13.663","0.006","14.998","0.007","116.82","0.05","91.45","0.03","106.44","0.03","1663.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H20 F12 N4 O3 -","- C36 H20 F12 N4 O3 -","- C72 H40 F24 N8 O6 -","2","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","Synthesis and Characterization of Isodiphenylfluorindone and Isodiphenylfluorindinone.","The Journal of organic chemistry","2018","83","8","4754","4761","10.1021/acs.joc.8b00554","","","1.54184","CuKα","","0.2394","0.1736","","","0.4053","0.4953","","","","","","1.273","","","","has coordinates","226422","2020-10-21","18:00:00",""
"4034907","27.52","0.006","5.4702","0.0011","21.104","0.004","90","","90","","90","","3177","1.1","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(3-diazo-2-oxopropyl)-4-methyl-N-phenylbenzenesulfonamide","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C128 H120 N24 O24 S8 -","8","2","","Castoldi, Laura; Ielo, Laura; Holzer, Wolfgang; Giester, Gerald; Roller, Alexander; Pace, Vittorio","α-Arylamino Diazoketones: Diazomethane-Loading Controlled Synthesis, Spectroscopic Investigations, and Structural X-ray Analysis.","The Journal of organic chemistry","2018","83","8","4336","4347","10.1021/acs.joc.7b03134","","x-ray","0.71073","MoKα","","0.153","0.0613","","","0.093","0.1144","","","","","","1.012","","","","has coordinates","226423","2020-10-21","18:00:00",""
"4034908","34.532","0.007","5.4982","0.0011","24.983","0.005","90","","128.57","0.03","90","","3709","2","200","2","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(3-diazo-2-oxopropyl)-4-methyl-N-phenylbenzenesulfonamide","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C128 H120 N24 O24 S8 -","8","1","","Castoldi, Laura; Ielo, Laura; Holzer, Wolfgang; Giester, Gerald; Roller, Alexander; Pace, Vittorio","α-Arylamino Diazoketones: Diazomethane-Loading Controlled Synthesis, Spectroscopic Investigations, and Structural X-ray Analysis.","The Journal of organic chemistry","2018","83","8","4336","4347","10.1021/acs.joc.7b03134","","x-ray","0.71073","MoKα","","0.068","0.0417","","","0.1148","0.126","","","","","","1.061","","","","has coordinates,has disorder","226424","2020-10-21","18:00:00",""
"4034909","9.352","0.003","9.221","0.003","11.844","0.003","90","","109.862","0.004","90","","960.6","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C44 H44 O6 S2 -","2","1","","Wang, Yang; Deng, Lingling; Deng, Yu; Han, Jianlin","Copper-Catalyzed Multicomponent Reaction of DABCO·(SO<sub>2</sub>)<sub>2</sub>, Alcohols, and Aryl Diazoniums for the Synthesis of Sulfonic Esters.","The Journal of organic chemistry","2018","83","8","4674","4680","10.1021/acs.joc.8b00447","","","0.71073","MoKα","","0.0473","0.0443","","","0.1308","0.1429","","","","","","1.07","","","","has coordinates","226425","2020-10-21","18:00:00",""
"4034910","16.2541","0.0013","5.099","0.0003","16.9467","0.0011","90","","96.534","0.003","90","","1395.41","0.17","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N3 O -","- C17 H13 N3 O -","- C68 H52 N12 O4 -","4","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Palladium-Catalyzed Decarboxylative ortho-Amidation of Indole-3-carboxylic Acids with Isothiocyanates Using Carboxyl as a Deciduous Directing Group.","The Journal of organic chemistry","2018","83","8","4375","4383","10.1021/acs.joc.8b00042","","","0.71073","MoKα","","0.0853","0.0521","","","0.124","0.1393","","","","","","1.023","","","","has coordinates","226426","2020-10-21","18:00:00",""
"4034911","17.005","0.003","15.917","0.002","30.298","0.005","90","","99.023","0.003","90","","8099","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 N6 O4 -","- C52 H42 N6 O4 -","- C416 H336 N48 O32 -","8","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Palladium-Catalyzed Decarboxylative ortho-Amidation of Indole-3-carboxylic Acids with Isothiocyanates Using Carboxyl as a Deciduous Directing Group.","The Journal of organic chemistry","2018","83","8","4375","4383","10.1021/acs.joc.8b00042","","","0.71073","MoKα","","0.1129","0.0759","","","0.1639","0.1822","","","","","","1.095","","","","has coordinates,has disorder","226426","2020-10-21","18:00:00",""
"4034912","26.6839","0.001","26.6839","0.001","10.228","0.0007","90","","90","","90","","7282.6","0.6","100","0.1","100","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C320 H352 N32 O48 S16 -","16","1","","Liu, Xiaozu; Zhou, Yuxiang; Yang, Zhongqin; Li, Qin; Zhao, Liang; Liu, Peijun","Iodine-Catalyzed C-H Amidation and Imination at the 2α-Position of 2,3-Disubstituted Indoles with Chloramine Salts.","The Journal of organic chemistry","2018","83","8","4665","4673","10.1021/acs.joc.8b00286","","x-ray","0.71073","MoKα","","0.0805","0.0541","","","0.1239","0.1373","","","","","","1.049","","","","has coordinates","226427","2020-10-21","18:00:00",""
"4034913","7.6536","0.0007","10.6513","0.0008","11.9897","0.0011","108.64","0.007","105.947","0.008","102.109","0.007","841.66","0.15","138","50","138","50","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C38 H40 N4 O4 S2 -","2","1","","Liu, Xiaozu; Zhou, Yuxiang; Yang, Zhongqin; Li, Qin; Zhao, Liang; Liu, Peijun","Iodine-Catalyzed C-H Amidation and Imination at the 2α-Position of 2,3-Disubstituted Indoles with Chloramine Salts.","The Journal of organic chemistry","2018","83","8","4665","4673","10.1021/acs.joc.8b00286","","x-ray","0.71073","MoKα","","0.0776","0.06","","","0.1392","0.163","","","","","","1.019","","","","has coordinates","226428","2020-10-21","18:00:00",""
"4034914","10.668","0.0004","27.3709","0.0011","8.7513","0.0003","90","","97.269","0.001","90","","2534.78","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Br O3 S -","- C30 H25 Br O3 S -","- C120 H100 Br4 O12 S4 -","4","1","","Xiao, Guolan; Ma, Chaoqun; Wu, Xiang; Xing, Dong; Hu, Wenhao","Synthesis of γ-Sulfur-Substituted Ketones via Rh(II)/Sc(III) a Cocatalyzed Three-Component Reaction of Diazo Compounds with Thiophenols and Enones.","The Journal of organic chemistry","2018","83","8","4786","4791","10.1021/acs.joc.7b03074","","","0.71073","MoKα","","0.0421","0.0343","","","0.0842","0.0884","","","","","","1.027","","","","has coordinates","226429","2020-10-21","18:00:00",""
"4034915","10.6723","0.0008","15.0547","0.001","8.1047","0.0005","90","","90","","90","","1302.17","0.15","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Lee, Heejin; Lee, Jae Kyun; Min, Sun-Joon; Seo, Hyeonglim; Lee, Youngbok; Rhee, Hakjune","Copper(I)-Catalyzed Synthesis of 1,4-Disubstituted 1,2,3-Triazoles from Azidoformates and Aryl Terminal Alkynes.","The Journal of organic chemistry","2018","83","8","4805","4811","10.1021/acs.joc.8b00022","","","0.71075","MoKα","","0.0394","0.0299","","","0.0714","0.0759","","","","","","1.015","","","","has coordinates","226430","2020-10-21","18:00:00",""
"4034916","5.8015","0.0009","7.985","0.0012","22.001","0.003","90","","90","","90","","1019.2","0.3","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.044","0.0404","","","0.097","0.0989","","","","","","1.0645","","","","has coordinates","226431","2020-10-21","18:00:00",""
"4034917","8.255","0.0004","8.7337","0.0004","15.3572","0.0007","90","","104.438","0.001","90","","1072.24","0.09","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.0385","0.0331","","","0.088","0.0921","","","","","","1.028","","","","has coordinates","226432","2020-10-21","18:00:00",""
"4034918","8.1003","0.0016","9.038","0.002","12.516","0.004","100.87","0.02","106.9","0.02","93.36","0.02","854.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C34 H42 N2 O14 -","2","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","1.54184","CuKα","","0.0715","0.0475","","","0.114","0.129","","","","","","1.033","","","","has coordinates","226433","2020-10-21","18:00:00",""
"4034919","7.9354","0.0005","16.2482","0.0011","10.2188","0.0007","90","","92.368","0.001","90","","1316.45","0.15","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O7 -","- C12 H18 O7 -","- C48 H72 O28 -","4","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.0524","0.0418","","","0.1061","0.1132","","","","","","1.026","","","","has coordinates","226434","2020-10-21","18:00:00",""
"4034920","8.7888","0.0005","9.4369","0.0005","9.6073","0.0005","65.552","0.001","70.103","0.001","79.802","0.001","681.46","0.06","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O7 -","- C12 H18 O7 -","- C24 H36 O14 -","2","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.0476","0.0382","","","0.0998","0.1069","","","","","","1.035","","","","has coordinates","226435","2020-10-21","18:00:00",""
"4034921","6.94","0.0002","9.9344","0.0002","13.3649","0.0003","103.329","0.0013","90.5132","0.0013","109.293","0.0012","842.62","0.04","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C42 H38 N6 O2 -","2","1","","Jeong, Taejoo; Lee, Suk Hun; Chun, Rina; Han, Sangil; Han, Sang Hoon; Jeon, Yeong Uk; Park, Jihye; Yoshimitsu, Takehiko; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Aminocarbonylation of N-(Hetero)aryl-7-azaindoles with Isocyanates.","The Journal of organic chemistry","2018","83","8","4641","4649","10.1021/acs.joc.8b00388","","","0.71073","MoKα","","0.0641","0.0456","","","0.1088","0.1208","","","","","","1.039","","","","has coordinates","226436","2020-10-21","18:00:00",""
"4034922","12.9868","0.0002","7.0511","0.0001","27.6722","0.0003","90","","94.403","0.001","90","","2526.5","0.06","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N5 O3 -","- C28 H29 N5 O3 -","- C112 H116 N20 O12 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","1.54178","CuKα","","0.0437","0.0402","","","0.1112","0.1146","","","","","","1.043","","","","has coordinates","226437","2020-10-21","18:00:00",""
"4034923","10.6757","0.0019","9.8486","0.0017","27.386","0.005","90","","90","","90","","2879.4","0.9","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0663","0.0416","","","0.0942","0.1061","","","","","","1.056","","","","has coordinates","226438","2020-10-21","18:00:00",""
"4034924","7.3701","0.0009","9.5761","0.0012","16.635","0.002","100.276","0.002","91.347","0.002","102.839","0.002","1123.9","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","2","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0576","0.0427","","","0.1094","0.1193","","","","","","1.017","","","","has coordinates","226439","2020-10-21","18:00:00",""
"4034925","11.894","0.0019","7.2711","0.0011","22.184","0.003","90","","102.61","0.002","90","","1872.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SY-2-55-1","","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0871","0.0461","","","0.1049","0.1231","","","","","","1.003","","","","has coordinates","226440","2020-10-21","18:00:00",""
"4034926","5.0802","0.0005","17.971","0.002","10.991","0.0011","90","","90.471","0.011","90","","1003.4","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0435","0.0365","","","0.0838","0.0879","","","","","","1.038","","","","has coordinates","226441","2020-10-21","18:00:00",""
"4034927","7.1401","0.0016","9.047","0.002","12.314","0.003","103.183","0.003","106.298","0.003","97.522","0.003","727","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0815","0.0449","","","0.0965","0.1122","","","","","","1.026","","","","has coordinates","226442","2020-10-21","18:00:00",""
"4034928","11.3381","0.0006","7.2556","0.0004","26.5552","0.0015","90","","102.097","0.001","90","","2136","0.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O4 -","- C23 H26 N4 O4 -","- C92 H104 N16 O16 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0527","0.0427","","","0.1116","0.1179","","","","","","1.046","","","","has coordinates","226443","2020-10-21","18:00:00",""
"4034929","7.839","0.0012","10.1239","0.001","13.0356","0.0012","67.583","0.009","83.056","0.01","72.226","0.011","910.7","0.2","293.18","0.11","293.18","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F3 N2 O2 -","- C20 H19 F3 N2 O2 -","- C40 H38 F6 N4 O4 -","2","1","","Chang, Bingbing; Su, Yingpeng; Huang, Danfeng; Wang, Ke-Hu; Zhang, Weigang; Shi, Ya; Zhang, Xinghu; Hu, Yulai","Synthesis of Trifluoroethyl Pyrazolines via Trichloroisocyanuric Acid Promoted Cascade Cyclization/Trifluoromethylation of β,γ-Unsaturated Hydrazones.","The Journal of organic chemistry","2018","83","8","4365","4374","10.1021/acs.joc.8b00009","","x-ray","0.71073","MoKα","","0.123","0.0714","","","0.1848","0.2015","","","","","","0.884","","","","has coordinates","226444","2020-10-21","18:00:00",""
"4034930","5.7958","0.00006","14.35143","0.00015","43.7743","0.0005","90","","90","","90","","3641.06","0.07","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H29 N O5 -","- C18 H29 N O5 -","- C144 H232 N8 O40 -","8","1","","Matías, Desirée M; Johnson, Jeffrey S.","Synthesis and Desymmetrization of meso Tricyclic Systems Derived from Benzene Oxide.","The Journal of organic chemistry","2018","83","8","4859","4866","10.1021/acs.joc.8b00523","","","1.54178","CuKα","","0.0638","0.0491","","","0.1242","0.1336","","","","","","1.057","","","","has coordinates","226445","2020-10-21","18:00:00",""
"4034931","6.3061","0.0016","12","0.003","30.47","0.008","90","","90","","90","","2305.8","1","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br N2 O6 S -","- C24 H17 Br N2 O6 S -","- C96 H68 Br4 N8 O24 S4 -","4","1","","Wang, Jiao-Jiao; Yang, Hui; Gou, Bo-Bo; Zhou, Ling; Chen, Jie","Enantioselective Organocatalytic Sulfenylation of β-Naphthols.","The Journal of organic chemistry","2018","83","8","4730","4738","10.1021/acs.joc.8b00487","","","0.71073","MoKα","","0.0892","0.0459","","","0.0871","0.1017","","","","","","0.987","","","","has coordinates","226446","2020-10-21","18:00:00",""
"4034932","5.6098","0.0004","9.7873","0.001","18.627","0.0015","90","","90.672","0.006","90","","1022.64","0.15","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 O2 S -","- C24 H24 O2 S -","- C48 H48 O4 S2 -","2","1","","Zhou, Ping-Xin; Zhang, Yalei; Ge, Chunbo; Liang, Yong-Min; Li, Changzheng","Palladium-Catalyzed Carbene Migratory Insertion and Trapping with Sulfinic Acid Salts toward Allylic Sulfones.","The Journal of organic chemistry","2018","83","8","4762","4768","10.1021/acs.joc.8b00615","","","0.71073","MoKα","","0.0986","0.0574","","","0.101","0.1212","","","","","","0.999","","","","has coordinates","226447","2020-10-21","18:00:00",""
"4034933","7.702","0.003","10.567","0.004","11.247","0.005","75.351","0.014","75.327","0.012","73.555","0.013","832.9","0.6","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H16 O5 -","- C21 H16 O5 -","- C42 H32 O10 -","2","1","","Jana, Supriti; Mal, Dipakranjan","Anionic Annulation of 3-Cyanophthalides with Allene Carboxylates: A Carbon-Conserved Synthesis of Naphtho[ b]furanones.","The Journal of organic chemistry","2018","83","8","4537","4544","10.1021/acs.joc.8b00272","","x-ray","0.71073","MoKα","","0.1819","0.084","","","0.2024","0.2806","","","","","","0.94","","","","has coordinates,has disorder","226448","2020-10-21","18:00:00",""
"4034934","9.9497","0.0007","23.346","0.0012","10.337","0.0008","90","","117.278","0.009","90","","2134.1","0.3","293.4","0.3","293.4","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O -","- C28 H26 O -","- C112 H104 O4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.08","0.0673","","","0.1687","0.1842","","","","","","1.064","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034935","9.5076","0.0006","10.1735","0.0007","11.0649","0.0006","100.526","0.005","108.648","0.005","114.007","0.006","863.75","0.12","294.5","0.5","294.5","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0686","0.0627","","","0.1573","0.1674","","","","","","1.043","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034936","9.90789","0.00018","19.4213","0.0004","11.7413","0.0002","90","","90.2212","0.0017","90","","2259.29","0.07","296.31","0.1","296.31","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Cl -","- C31 H25 Cl -","- C124 H100 Cl4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0738","0.0706","","","0.2044","0.2083","","","","","","1.044","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034937","11.1052","0.0004","10.7198","0.0004","17.6163","0.0006","90","","104.009","0.004","90","","2034.77","0.13","294.2","0.4","294.2","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O S -","- C26 H24 O S -","- C104 H96 O4 S4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0719","0.0635","","","0.1804","0.1916","","","","","","1.027","","","","has coordinates,has disorder","226449","2020-10-21","18:00:00",""
"4034938","8.8859","0.0006","9.9045","0.0006","11.8557","0.0006","99.769","0.004","96.19","0.005","109.258","0.006","955.59","0.11","294.24","0.1","294.24","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 O -","- C26 H25 O -","- C52 H50 O2 -","2","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0678","0.063","","","0.1832","0.189","","","","","","1.048","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034939","11.6446","0.0004","7.3696","0.0002","23.0316","0.0008","90","","94.897","0.003","90","","1969.27","0.11","294.05","0.1","294.05","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 O -","- C26 H26 O -","- C104 H104 O4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0695","0.0635","","","0.1632","0.1712","","","","","","1.027","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034940","10.5874","0.0004","15.9992","0.0006","16.6716","0.0006","112.501","0.0016","91.7686","0.0018","99.8707","0.0018","2555.93","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Br F O -","- C22 H14 Br F O -","- C132 H84 Br6 F6 O6 -","6","3","","Saha, Rajib; Arunprasath, Dhanarajan; Sekar, Govindasamy","Phosphine-Free and Reusable Palladium Nanoparticles-Catalyzed Domino Strategy: Synthesis of Indanone Derivatives.","The Journal of organic chemistry","2018","83","8","4692","4702","10.1021/acs.joc.8b00463","","","0.71073","MoKα","","0.0948","0.0365","","","0.0699","0.0831","","","","","","0.979","","","","has coordinates","226450","2020-10-21","18:00:00",""
"4034941","17.94","0.0006","17.94","0.0006","8.4256","0.0004","90","","90","","120","","2348.42","0.16","173","2","173","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C114 H108 O18 S6 -","6","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","1.54178","CuKα","","0.0475","0.0377","","","0.0851","0.0894","","","","","","1.057","","","","has coordinates","226451","2020-10-21","18:00:00",""
"4034942","11.2915","0.0005","7.6426","0.0002","37.0847","0.0016","90","","90","","90","","3200.3","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C160 H160 O24 S8 -","8","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","0.71073","MoKα","","0.2057","0.1116","","","0.1908","0.2266","","","","","","1.114","","","","has coordinates","226452","2020-10-21","18:00:00",""
"4034943","8.1274","0.0003","17.4435","0.0007","8.9072","0.0004","90","","103.903","0.001","90","","1225.78","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","0.71073","MoKα","","0.0547","0.0408","","","0.1018","0.1094","","","","","","1.051","","","","has coordinates","226453","2020-10-21","18:00:00",""
"4034944","8.6858","0.0001","25.2666","0.0004","8.42","0.0001","90","","93.074","0.001","90","","1845.2","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O2 S -","- C23 H19 N3 O2 S -","- C92 H76 N12 O8 S4 -","4","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","0.71073","MoKα","","0.0542","0.0433","","","0.1183","0.1367","","","","","","1.118","","","","has coordinates","226454","2020-10-21","18:00:00",""
"4034945","8.299","0.003","10.924","0.004","14.783","0.005","90","","98.016","0.008","90","","1327.1","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Ni, Jiabin; Xue, Yu; Sun, Liping; Zhang, Ao","Cu-Mediated Sulfonyl Radical-Enabled 5- exo-trig Cyclization of Alkenyl Aldehydes: Access to Sulfonylmethyl 1 H-Indenes.","The Journal of organic chemistry","2018","83","8","4598","4605","10.1021/acs.joc.8b00341","","","0.71073","MoKα","","0.0562","0.0466","","","0.1361","0.1457","","","","","","1.071","","","","has coordinates","226455","2020-10-21","18:00:00",""
"4034946","10.023","0.0003","10.6673","0.0003","19.6393","0.0006","92.89","0.002","93.94","0.002","110.439","0.003","1956.73","0.11","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C80 H104 N8 O12 S4 -","4","2","","Shugrue, Christopher R.; Featherston, Aaron L.; Lackner, Rachel M.; Lin, Angela; Miller, Scott J.","Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones.","The Journal of organic chemistry","2018","83","8","4491","4504","10.1021/acs.joc.8b00207","","","0.71073","MoKα","","0.071","0.051","","","0.1177","0.1255","","","","","","1.031","","","","has coordinates","226456","2020-10-21","18:00:00",""
"4034947","9.4315","0.0002","9.5202","0.0002","21.4109","0.0006","90","","98.443","0.003","90","","1901.64","0.08","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C80 H104 N8 O12 S4 -","4","2","","Shugrue, Christopher R.; Featherston, Aaron L.; Lackner, Rachel M.; Lin, Angela; Miller, Scott J.","Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones.","The Journal of organic chemistry","2018","83","8","4491","4504","10.1021/acs.joc.8b00207","","","1.54184","CuKα","","0.0902","0.063","","","0.1621","0.1888","","","","","","1.138","","","","has coordinates","226457","2020-10-21","18:00:00",""
"4034948","9.7341","0.0003","10.0802","0.0005","10.7645","0.0004","108.03","0.004","96.352","0.003","102.318","0.003","963.34","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C40 H52 N4 O6 S2 -","2","1","","Shugrue, Christopher R.; Featherston, Aaron L.; Lackner, Rachel M.; Lin, Angela; Miller, Scott J.","Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones.","The Journal of organic chemistry","2018","83","8","4491","4504","10.1021/acs.joc.8b00207","","","0.71073","MoKα","","0.04","0.0334","","","0.0854","0.0886","","","","","","1.029","","","","has coordinates","226458","2020-10-21","18:00:00",""
"4034949","32.259","0.006","7.365","0.002","6.107","0.002","90","","90","","90","","1450.9","0.7","170","","170","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Taimoory, S. Maryamdokht; Sadraei, S. Iraj; Fayoumi, Rose Anne; Nasri, Sarah; Revington, Matthew; Trant, John F.","Preparation and Characterization of a Small Library of Thermally-Labile End-Caps for Variable-Temperature Triggering of Self-Immolative Polymers.","The Journal of organic chemistry","2018","83","8","4427","4440","10.1021/acs.joc.8b00135","","","0.71076","MoKα","","0.03","0.0292","","","0.075","0.0755","","","","","","1.073","","","","has coordinates","226459","2020-10-21","18:00:00",""
"4034950","17.002","0.004","6.3616","0.0011","13.302","0.003","90","","93.621","0.007","90","","1435.9","0.5","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Taimoory, S. Maryamdokht; Sadraei, S. Iraj; Fayoumi, Rose Anne; Nasri, Sarah; Revington, Matthew; Trant, John F.","Preparation and Characterization of a Small Library of Thermally-Labile End-Caps for Variable-Temperature Triggering of Self-Immolative Polymers.","The Journal of organic chemistry","2018","83","8","4427","4440","10.1021/acs.joc.8b00135","","","0.71073","MoKα","","0.0667","0.0484","","","0.1082","0.119","","","","","","1.117","","","","has coordinates","226460","2020-10-21","18:00:00",""
"4034951","9.377","0.002","16.459","0.004","10.573","0.003","90","","105.379","0.006","90","","1573.4","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-benzyl-4-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1H-1,2,3-triazole","","- C19 H17 N5 -","- C19 H17 N5 -","- C76 H68 N20 -","4","1","","Niesobski, Patrik; Klukas, Fabian; Berens, Henning; Makhloufi, Gamall; Janiak, Christoph; Müller, Thomas J J","De Novo Ring-Forming Consecutive Four-Component Syntheses of 4-Pyrazolyl-1,2,3-triazoles from (Triisopropylsilyl)butadiyne as a C4 Building Block.","The Journal of organic chemistry","2018","83","8","4851","4858","10.1021/acs.joc.8b00430","","","0.71073","MoKα","","0.0756","0.0453","","","0.1045","0.1204","","","","","","1.025","","","","has coordinates","226461","2020-10-21","18:00:00",""
"4034952","4.8158","0.0001","8.056","0.0002","14.36","0.0004","100.15","0.001","90.87","0.001","97.297","0.001","543.55","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F N2 O -","- C15 H9 F N2 O -","- C30 H18 F2 N4 O2 -","2","1","","Yuan, Yao; Dong, Wuheng; Gao, Xiaoshuang; Gao, Huang; Xie, Xiaomin; Zhang, Zhaoguo","Visible-Light-Induced Radical Cascade Cyclization: Synthesis of the ABCD Ring Cores of Camptothecins.","The Journal of organic chemistry","2018","83","5","2840","2846","10.1021/acs.joc.7b03283","","","1.54178","CuKα","","0.034","0.0318","","","0.0925","0.0946","","","","","","1.077","","","","has coordinates","226462","2020-10-21","18:00:00",""
"4034953","8.3599","0.0004","9.3828","0.0004","12.7708","0.0006","78.609","0.002","87.494","0.002","76.577","0.002","955.17","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl3 N2 O3 -","- C19 H19 Cl3 N2 O3 -","- C38 H38 Cl6 N4 O6 -","2","1","","Yuan, Yao; Dong, Wuheng; Gao, Xiaoshuang; Gao, Huang; Xie, Xiaomin; Zhang, Zhaoguo","Visible-Light-Induced Radical Cascade Cyclization: Synthesis of the ABCD Ring Cores of Camptothecins.","The Journal of organic chemistry","2018","83","5","2840","2846","10.1021/acs.joc.7b03283","","","1.54178","CuKα","","0.0413","0.0391","","","0.1035","0.1054","","","","","","1.035","","","","has coordinates","226463","2020-10-21","18:00:00",""
"4034954","8.351","0.002","10.255","0.003","18.062","0.006","90","","98.302","0.003","90","","1530.6","0.8","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C72 H56 Br4 N4 O12 -","4","1","","Song, Zhi-Yong; Chen, Kun-Quan; Chen, Xiang-Yu; Ye, Song","Diastereo- and Enantioselective Synthesis of Spirooxindoles with Contiguous Tetrasubstituted Stereocenters via Catalytic Coupling of Two Tertiary Radicals.","The Journal of organic chemistry","2018","83","5","2966","2970","10.1021/acs.joc.7b03161","","","0.71073","MoKα","","0.0542","0.0464","","","0.0818","0.0848","","","","","","1.135","","","","has coordinates","226464","2020-10-21","18:00:00",""
"4034955","9.305","0.0003","13.974","0.0003","12.0297","0.0004","90","","108.745","0.004","90","","1481.23","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 F S -","- C19 H17 F S -","- C76 H68 F4 S4 -","4","1","","Lyapunova, Anna G.; Danilkina, Natalia A.; Rumyantsev, Andrey M.; Khlebnikov, A. F.; Chislov, Mikhail V.; Starova, Galina L.; Sambuk, Elena V.; Govdi, Anastasia I.; Bräse, Stefan; Balova, Irina A.","Relative Reactivity of Benzothiophene-Fused Enediynes in the Bergman Cyclization.","The Journal of organic chemistry","2018","83","5","2788","2801","10.1021/acs.joc.7b03258","","x-ray","1.54184","CuKα","","0.0425","0.0372","","","0.0964","0.1014","","","","","","1.055","","","","has coordinates","226465","2020-10-21","18:00:00",""
"4034956","14.7863","0.0003","7.78776","0.00018","23.6336","0.0004","90","","90.3536","0.0018","90","","2721.41","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 Co2 O9 S -","- C29 H18 Co2 O9 S -","- C116 H72 Co8 O36 S4 -","4","1","","Lyapunova, Anna G.; Danilkina, Natalia A.; Rumyantsev, Andrey M.; Khlebnikov, A. F.; Chislov, Mikhail V.; Starova, Galina L.; Sambuk, Elena V.; Govdi, Anastasia I.; Bräse, Stefan; Balova, Irina A.","Relative Reactivity of Benzothiophene-Fused Enediynes in the Bergman Cyclization.","The Journal of organic chemistry","2018","83","5","2788","2801","10.1021/acs.joc.7b03258","","x-ray","1.54184","CuKα","","0.0734","0.0544","","","0.0914","0.1014","","","","","","1.108","","","","has coordinates","226465","2020-10-21","18:00:00",""
"4034957","14.1119","0.0017","9.9385","0.0011","17.9114","0.0019","90","","110.798","0.003","90","","2348.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 F3 N O4 S -","- C25 H22 F3 N O4 S -","- C100 H88 F12 N4 O16 S4 -","4","1","","Wang, Quande; Tsui, Gavin Chit","Copper-Mediated Domino Cyclization/Trifluoromethylation of Propargylic N-Hydroxylamines: Synthesis of 4-Trifluoromethyl-4-isoxazolines.","The Journal of organic chemistry","2018","83","5","2971","2979","10.1021/acs.joc.7b03191","","","0.71073","MoKα","","0.0551","0.0478","","","0.1359","0.1432","","","","","","1.079","","","","has coordinates","226466","2020-10-21","18:00:00",""
"4034958","13.3366","0.0012","14.4419","0.0013","11.0444","0.001","90","","104.124","0.003","90","","2062.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F3 N O3 S -","- C23 H20 F3 N O3 S -","- C92 H80 F12 N4 O12 S4 -","4","1","","Wang, Quande; Tsui, Gavin Chit","Copper-Mediated Domino Cyclization/Trifluoromethylation of Propargylic N-Hydroxylamines: Synthesis of 4-Trifluoromethyl-4-isoxazolines.","The Journal of organic chemistry","2018","83","5","2971","2979","10.1021/acs.joc.7b03191","","","0.71073","MoKα","","0.0438","0.0401","","","0.1066","0.1104","","","","","","1.043","","","","has coordinates","226467","2020-10-21","18:00:00",""
"4034959","11.3996","0.0013","7.4707","0.0008","31.868","0.004","90","","90.613","0.003","90","","2713.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O2 -","- C30 H50 O2 -","- C120 H200 O8 -","4","2","","Shen, Renzeng; Laval, Stephane; Cao, Xin; Yu, Biao","Synthesis of Δ<sup>20</sup>-Ginsenosides Rh<sub>4</sub>, (20E)-Rh<sub>3</sub>, Rg<sub>6</sub>, and Rk<sub>1</sub>: A General Approach To Access Dehydrated Ginsenosides.","The Journal of organic chemistry","2018","83","5","2601","2610","10.1021/acs.joc.7b02987","","","0.71073","MoKα","","0.112","0.0769","","","0.1498","0.1678","","","","","","1.083","","","","has coordinates,has disorder","226468","2020-10-21","18:00:00",""
"4034960","14.271","0.006","7.176","0.003","17.155","0.007","90","","103.984","0.01","90","","1704.8","1.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H56 O6 -","- C36 H56 O6 -","- C72 H112 O12 -","2","1","","Shen, Renzeng; Laval, Stephane; Cao, Xin; Yu, Biao","Synthesis of Δ<sup>20</sup>-Ginsenosides Rh<sub>4</sub>, (20E)-Rh<sub>3</sub>, Rg<sub>6</sub>, and Rk<sub>1</sub>: A General Approach To Access Dehydrated Ginsenosides.","The Journal of organic chemistry","2018","83","5","2601","2610","10.1021/acs.joc.7b02987","","","0.71073","MoKα","","0.1299","0.0701","","","0.1675","0.198","","","","","","1.002","","","","has coordinates","226469","2020-10-21","18:00:00",""
"4034961","9.5027","0.0007","10.5139","0.0007","11.4874","0.0008","74.736","0.006","66.148","0.006","81.699","0.006","1011.72","0.13","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H66 N8 O6 S -","- C32 H66 N8 O6 S -","- C32 H66 N8 O6 S -","1","1","","Pulka-Ziach, Karolina; Antunes, Stéphanie; Perdriau, Camille; Kauffmann, Brice; Pasco, Morgane; Douat, Céline; Guichard, Gilles","Postelongation Strategy for the Introduction of Guanidinium Units in the Main Chain of Helical Oligourea Foldamers.","The Journal of organic chemistry","2018","83","5","2530","2541","10.1021/acs.joc.7b01895","","","1.54178","CuKα","","0.0482","0.048","","","0.1357","0.1359","","","","","","1.079","","","","has coordinates","226470","2020-10-21","18:00:00",""
"4034962","9.6558","0.0019","20.213","0.004","14.022","0.003","90","","97.03","0.03","90","","2716.1","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H82 N12 O7 S -","- C41 H82 N12 O7 S -","- C82 H164 N24 O14 S2 -","2","1","","Pulka-Ziach, Karolina; Antunes, Stéphanie; Perdriau, Camille; Kauffmann, Brice; Pasco, Morgane; Douat, Céline; Guichard, Gilles","Postelongation Strategy for the Introduction of Guanidinium Units in the Main Chain of Helical Oligourea Foldamers.","The Journal of organic chemistry","2018","83","5","2530","2541","10.1021/acs.joc.7b01895","","","1.54178","CuKα","","0.1003","0.0773","","","0.1939","0.2352","","","","","","1.07","","","","has coordinates","226471","2020-10-21","18:00:00",""
"4034963","9.4793","0.0002","12.6384","0.0003","13.2202","0.0004","98.616","0.002","92.833","0.002","107.212","0.001","1488.43","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N3 O3 -","- C34 H31 N3 O3 -","- C68 H62 N6 O6 -","2","1","","Xia, Peng-Ju; Li, Jun; Qian, Yu-Lun; Zhao, Qing-Lan; Xiang, Hao-Yue; Xiao, Jun-An; Chen, Xiao-Qing; Yang, Hua","Solvent-Minimized, Chromatography-Free, Diastereoselective Synthesis of Oxazolidine-Dispirooxindoles via oxa-1,3-Dipolar Cycloaddition of 3-Oxindole.","The Journal of organic chemistry","2018","83","5","2948","2953","10.1021/acs.joc.7b02865","","","0.71073","MoKα","","0.0984","0.0813","","","0.2586","0.2718","","","","","","1.063","","","","has coordinates","226472","2020-10-21","18:00:00",""
"4034964","12.9684","0.0005","11.4288","0.0003","19.9239","0.0007","90","","107.76","0.004","90","","2812.25","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O6 S -","- C28 H26 N2 O6 S -","- C112 H104 N8 O24 S4 -","4","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.1029","0.0896","","","0.2638","0.2814","","","","","","1.05","","","","has coordinates","226473","2020-10-21","18:00:00",""
"4034965","9.1196","0.0007","10.5626","0.0007","25.628","0.004","87.5","0.009","89.642","0.009","81.926","0.006","2441.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N4 O12 S2 -","- C56 H48 N4 O12 S2 -","- C112 H96 N8 O24 S4 -","2","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.074","0.0557","","","0.1403","0.1534","","","","","","1.083","","","","has coordinates","226474","2020-10-21","18:00:00",""
"4034966","10.0845","0.0004","12.6277","0.0005","18.9223","0.0006","90","","104.925","0.004","90","","2328.35","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O6 S -","- C25 H22 N2 O6 S -","- C100 H88 N8 O24 S4 -","4","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.1324","0.0679","","","0.1518","0.1899","","","","","","1.03","","","","has coordinates","226475","2020-10-21","18:00:00",""
"4034967","12.3588","0.0005","10.2111","0.0004","21.733","0.0009","90","","90.322","0.003","90","","2742.59","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O7 S -","- C29 H26 N2 O7 S -","- C116 H104 N8 O28 S4 -","4","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.1028","0.0583","","","0.1336","0.1605","","","","","","1.029","","","","has coordinates","226476","2020-10-21","18:00:00",""
"4034968","10.1854","0.0001","7.0105","0.0001","31.6018","0.0003","90","","90","","90","","2256.52","0.04","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-chloro-5-methoxy-1-methyl-4-phenyl-1,5-dihydro-2H-pyrrol-2-one","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C96 H96 Cl8 N8 O16 -","8","1","","Samper Barceló, Víctor; Bienz, Stefan","Synthesis of Highly Substituted 3-Pyrrolin-2-ones from N,N-Disubstituted α-Amino Acids.","The Journal of organic chemistry","2018","83","5","2734","2743","10.1021/acs.joc.7b03187","","","0.71073","MoKα","","0.0698","0.0395","","","0.0964","0.1095","","","","","","1.036","","","","has coordinates","226477","2020-10-21","18:00:00",""
"4034969","10.2094","0.0002","14.5436","0.0002","7.83158","0.00019","90","","109.471","0.002","90","","1096.34","0.04","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-chloro-5-methoxy-1-methyl-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one","","- C10 H10 Cl N O2 S -","- C10 H10 Cl N O2 S -","- C40 H40 Cl4 N4 O8 S4 -","4","1","","Samper Barceló, Víctor; Bienz, Stefan","Synthesis of Highly Substituted 3-Pyrrolin-2-ones from N,N-Disubstituted α-Amino Acids.","The Journal of organic chemistry","2018","83","5","2734","2743","10.1021/acs.joc.7b03187","","","0.71073","MoKα","","0.0372","0.0319","","","0.0788","0.0834","","","","","","1.042","","","","has coordinates","226477","2020-10-21","18:00:00",""
"4034970","10.0685","0.0001","20.8846","0.0001","12.218","0.0001","90","","103.307","0.001","90","","2500.18","0.04","294.15","","294.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H34 O4 -","- C28 H34 O4 -","- C112 H136 O16 -","4","2","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.0353","0.0349","","","0.1055","0.106","","","","","","1.075","","","","has coordinates","226478","2020-10-21","18:00:00",""
"4034971","11.1371","0.0001","17.0065","0.0002","30.3267","0.0003","90","","90","","90","","5743.97","0.1","294.15","","294.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 O4 -","- C33 H36 O4 -","- C264 H288 O32 -","8","2","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.0342","0.0332","","","0.0962","0.0971","","","","","","1.049","","","","has coordinates","226479","2020-10-21","18:00:00",""
"4034972","10.5343","0.0001","11.3666","0.0001","23.7867","0.0002","90","","90","","90","","2848.2","0.04","294.15","","294.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 O4 -","- C33 H36 O4 -","- C132 H144 O16 -","4","1","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.038","0.0369","","","0.1041","0.1055","","","","","","1.027","","","","has coordinates","226480","2020-10-21","18:00:00",""
"4034973","8.006","0.0002","16.9875","0.0005","22.5448","0.0007","90","","90","","90","","3066.14","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 O6 -","- C33 H48 O6 -","- C132 H192 O24 -","4","1","","Liu, Jia-Wang; Zhang, Ming-Yu; Yan, Yong-Ming; Wei, Xiao-Yi; Dong, Lu; Zhu, Yan-Xia; Cheng, Yong-Xian","Characterization of Sesquiterpene Dimers from Resina Commiphora That Promote Adipose-Derived Stem Cell Proliferation and Differentiation.","The Journal of organic chemistry","2018","83","5","2725","2733","10.1021/acs.joc.7b03182","","","1.54178","CuKα","","0.0342","0.0338","","","0.0906","0.091","","","","","","1.05","","","","has coordinates","226481","2020-10-21","18:00:00",""
"4034974","12.4728","0.0004","13.9162","0.0004","17.2735","0.0005","90","","90","","90","","2998.23","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 O6 -","- C33 H48 O6 -","- C132 H192 O24 -","4","1","","Liu, Jia-Wang; Zhang, Ming-Yu; Yan, Yong-Ming; Wei, Xiao-Yi; Dong, Lu; Zhu, Yan-Xia; Cheng, Yong-Xian","Characterization of Sesquiterpene Dimers from Resina Commiphora That Promote Adipose-Derived Stem Cell Proliferation and Differentiation.","The Journal of organic chemistry","2018","83","5","2725","2733","10.1021/acs.joc.7b03182","","","1.54178","CuKα","","0.0286","0.0285","","","0.0723","0.0723","","","","","","1.045","","","","has coordinates","226482","2020-10-21","18:00:00",""
"4034975","22.0462","0.001","22.0462","0.001","12.8478","0.0012","90","","90","","90","","6244.5","0.7","301","2","301","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H14 F3 N3 O3 -","- C13 H14 F3 N3 O3 -","- C208 H224 F48 N48 O48 -","16","1","","Zhao, Yilong; Zhou, Yuhan; Zhang, Chunxia; Li, Dong; Sun, Puhua; Li, Jianzhe; Wang, Huan; Liu, Jianhui; Qu, Jingping","Base-Controlled Regiodivergent Azidation of Trifluoromethyl Alkenyl Triflates: Transition-Metal-Free Access to CF<sub>3</sub>-Containing Allyl Azides and Alkenyl Azides.","The Journal of organic chemistry","2018","83","5","2858","2868","10.1021/acs.joc.7b03294","","","0.71073","MoKα","","0.1071","0.0714","","","0.1619","0.1775","","","","","","1.07","","","","has coordinates","226483","2020-10-21","18:00:00",""
"4034976","8.1147","0.0009","5.5748","0.0006","32.002","0.004","90","","97.317","0.007","90","","1435.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F3 N3 -","- C16 H12 F3 N3 -","- C64 H48 F12 N12 -","4","1","","Zhao, Yilong; Zhou, Yuhan; Zhang, Chunxia; Li, Dong; Sun, Puhua; Li, Jianzhe; Wang, Huan; Liu, Jianhui; Qu, Jingping","Base-Controlled Regiodivergent Azidation of Trifluoromethyl Alkenyl Triflates: Transition-Metal-Free Access to CF<sub>3</sub>-Containing Allyl Azides and Alkenyl Azides.","The Journal of organic chemistry","2018","83","5","2858","2868","10.1021/acs.joc.7b03294","","","0.71073","MoKα","","0.066","0.0487","","","0.126","0.1388","","","","","","1.014","","","","has coordinates","226483","2020-10-21","18:00:00",""
"4034977","23.4903","0.001","6.4729","0.0003","14.3144","0.0007","90","","103.237","0.003","90","","2118.68","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2S,3R)-4-(benzoyloxy)-2-cyano- 2-ethyl-3-methylpent-4-en-1-yl 4-nitrobenzoate","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C92 H96 N8 O20 -","4","1","","Pitta, Bhaskar R.; Steward, Omar W.; Fleming, Fraser F.","Electrophile-Dependent Alkylations of Lithiated 4-Alkoxyalk-4-enenitriles.","The Journal of organic chemistry","2018","83","5","2753","2762","10.1021/acs.joc.7b03205","","","0.71073","MoKα","","0.0453","0.0323","","","0.1052","0.1322","","","","","","1.432","","","","has coordinates","226484","2020-10-21","18:00:00",""
"4034978","11.4274","0.0009","21.057","0.0014","20.4912","0.0015","90","","101.302","0.004","90","","4835.1","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 Cs N9 O4 -","- C52 H58 Cs N9 O4 -","- C208 H232 Cs4 N36 O16 -","4","1","","Kim, Seung Hyeon; Lee, Juhoon; Vargas-Zúñiga, Gabriela I; Lynch, Vincent M.; Hay, Benjamin P.; Sessler, Jonathan L.; Kim, Sung Kuk","Pyrrole- and Naphthobipyrrole-Strapped Calix[4]pyrroles as Azide Anion Receptors.","The Journal of organic chemistry","2018","83","5","2686","2693","10.1021/acs.joc.7b03135","","","0.71075","MoKα","","0.0609","0.046","","","0.1165","0.1257","","","","","","1.141","","","","has coordinates","226485","2020-10-21","18:00:00",""
"4034979","17.237","0.004","12.996","0.002","16.538","0.003","90","","90","","90","","3704.7","1.2","233","2","233","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C38 H45 Cs N8 O4 -","- C38 H45 Cs N8 O4 -","- C152 H180 Cs4 N32 O16 -","4","0.5","","Kim, Seung Hyeon; Lee, Juhoon; Vargas-Zúñiga, Gabriela I; Lynch, Vincent M.; Hay, Benjamin P.; Sessler, Jonathan L.; Kim, Sung Kuk","Pyrrole- and Naphthobipyrrole-Strapped Calix[4]pyrroles as Azide Anion Receptors.","The Journal of organic chemistry","2018","83","5","2686","2693","10.1021/acs.joc.7b03135","","","0.71075","MoKα","","0.0185","0.018","","","0.0477","0.048","","","","","","0.996","","","","has coordinates,has disorder","226486","2020-10-21","18:00:00",""
"4034980","11.082","0.004","11.456","0.004","11.777","0.004","92.038","0.019","110.429","0.019","118.082","0.016","1199.5","0.8","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","spiro[fluorene-9,15'-indeno[2,1-g]chrysene]","","- C37 H22 -","- C37 H22 -","- C74 H44 -","2","1","","Lee, Hayoon; Jung, Hyocheol; Kang, Seokwoo; Heo, Jin Hyuck; Im, Sang Hyuk; Park, Jongwook","Three-Dimensional Structures Based on the Fusion of Chrysene and Spirobifluorene Chromophores for the Development of Blue OLEDs.","The Journal of organic chemistry","2018","83","5","2640","2646","10.1021/acs.joc.7b03008","","","0.71073","MoKα","","0.0662","0.0514","","","0.13","0.1432","","","","","","1.055","","","","has coordinates","226487","2020-10-21","18:00:00",""
"4034981","7.489","0.004","11.278","0.005","19.529","0.009","80.568","0.007","88.97","0.007","79.02","0.007","1597.2","1.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N3 O -","- C20 H14 Cl N3 O -","- C80 H56 Cl4 N12 O4 -","4","2","","Kong, Xiang-Fei; Zhan, Feng; He, Guo-Xue; Pan, Cheng-Xue; Gu, Chen-Xi; Lu, Ke; Mo, Dong-Liang; Su, Gui-Fa","Gold-Catalyzed Selective 6-exo-dig and 7-endo-dig Cyclizations of Alkyn-Tethered Indoles To Prepare Rutaecarpine Derivatives.","The Journal of organic chemistry","2018","83","4","2006","2017","10.1021/acs.joc.7b02956","","","0.71073","MoKα","","0.0465","0.0366","","","0.1044","0.1126","","","","","","1.038","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034982","7.4255","0.0014","9.3666","0.0017","22.949","0.004","90","","94.428","0.003","90","","1591.4","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C84 H68 N12 O4 -","4","1","","Kong, Xiang-Fei; Zhan, Feng; He, Guo-Xue; Pan, Cheng-Xue; Gu, Chen-Xi; Lu, Ke; Mo, Dong-Liang; Su, Gui-Fa","Gold-Catalyzed Selective 6-exo-dig and 7-endo-dig Cyclizations of Alkyn-Tethered Indoles To Prepare Rutaecarpine Derivatives.","The Journal of organic chemistry","2018","83","4","2006","2017","10.1021/acs.joc.7b02956","","","0.71073","MoKα","","0.0514","0.0453","","","0.1217","0.1284","","","","","","1.045","","","","has coordinates","226489","2020-10-21","18:00:00",""
"4034983","5.6914","0.0009","7.7326","0.0012","33.904","0.005","90","","90","","90","","1492.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","","Lei, Xue; Zheng, Lei; Zhang, Chuanxin; Shi, Xiaodong; Chen, Yunfeng","Allylic C-S Bond Construction through Metal-Free Direct Nitroalkene Sulfonation.","The Journal of organic chemistry","2018","83","4","1772","1778","10.1021/acs.joc.7b02595","","","0.71073","MoKα","","0.0381","0.0373","","","0.0986","0.0993","","","","","","1.135","","","","has coordinates","226490","2020-10-21","18:00:00",""
"4034984","8.2267","0.0015","12.296","0.002","13.654","0.003","90","","105.69","0.003","90","","1329.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C52 H60 N4 O16 S4 -","4","1","","Lei, Xue; Zheng, Lei; Zhang, Chuanxin; Shi, Xiaodong; Chen, Yunfeng","Allylic C-S Bond Construction through Metal-Free Direct Nitroalkene Sulfonation.","The Journal of organic chemistry","2018","83","4","1772","1778","10.1021/acs.joc.7b02595","","","0.71073","MoKα","","0.0768","0.0456","","","0.106","0.1195","","","","","","1.165","","","","has coordinates","226491","2020-10-21","18:00:00",""
"4034985","7.4487","0.0002","9.8574","0.0003","11.7142","0.0004","94.801","0.003","95.419","0.003","108.835","0.003","804.44","0.05","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 Cl2 Cu N2 O S -","- C14 H14 Cl2 Cu N2 O S -","- C28 H28 Cl4 Cu2 N4 O2 S2 -","2","1","","Jiang, Sheng-Peng; Lu, Wen-Qiang; Liu, Zhan; Wang, Guan-Wu","Synthesis of Fullerotetrahydroquinolines via [4 + 2] Cycloaddition Reaction of [60]Fullerene with in Situ Generated Aza-o-quinone Methides.","The Journal of organic chemistry","2018","83","4","1959","1968","10.1021/acs.joc.7b02897","","","1.54184","CuKα","","0.0426","0.0418","","","0.1153","0.1165","","","","","","1.068","","","","has coordinates","226492","2020-10-21","18:00:00",""
"4034986","9.6198","0.0007","11.0172","0.0008","14.7869","0.0014","91.878","0.003","98.532","0.004","108.847","0.003","1461.3","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 N O Te -","- C18 H13 N O Te -","- C72 H52 N4 O4 Te4 -","4","2","","Nagahora, Noriyoshi; Yahata, Shuhei; Goto, Shoko; Shioji, Kosei; Okuma, Kentaro","2,5-Diaryltellurophenes: Effect of Electron-Donating and Electron-Withdrawing Groups on their Optoelectronic Properties.","The Journal of organic chemistry","2018","83","4","1969","1975","10.1021/acs.joc.7b02906","","","0.71075","MoKα","","0.0918","0.0782","","","0.1483","0.1553","","","","","","1.258","","","","has coordinates","226493","2020-10-21","18:00:00",""
"4034987","7.2443","0.0004","21.6508","0.0013","31.7616","0.0019","90","","90","","90","","4981.6","0.5","296","","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","DiMeMonoPhIndenotetracene","2-methyl-10-phenyl-9-(p-tolyl)indeno[1,2,3-fg]tetracene","","- C38 H26 -","- C37.791 H27.261 -","- C302.328 H218.088 -","8","1","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","0.71073","MoKα","","0.0919","0.0516","","","0.1385","0.1734","","","","","","1.055","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034988","15.943","","20.012","","7.763","","90","","111.7","","90","","2301.27","","122","2","122","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DiFMonoPhIndenotetracene","2-fluoro-9-(4-fluorophenyl)-10-phenylindeno[1,2,3-fg]tetracene","","- C36 H20 F2 -","- C36 H20 F2 -","- C144 H80 F8 -","4","0.5","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.042","0.0395","","","0.108","0.111","","","","","","1.06","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034989","12.007","0.006","16.605","0.005","27.729","0.007","90","","92.29","0.03","90","","5524","4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DiCF3MonoPhIndenoTetracene","10-phenyl-2-(trifluoromethyl)-9-(4-(trifluoromethyl)phenyl)indeno[1,2,3-fg]tetracene","","- C38 H20 F6 -","- C38 H20 F6 -","- C304 H160 F48 -","8","2","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.1208","0.0704","","","0.148","0.1752","","","","","","1.015","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034990","11.152","0.002","19.822","0.003","11.343","0.002","90","","93.755","0.014","90","","2502","0.7","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DiMethoxyMonoPhIndenotetracene","2-methoxy-9-(4-methoxyphenyl)-10-phenylindeno[1,2,3-fg]tetracene","","- C38 H26 O2 -","- C38 H26 O2 -","- C152 H104 O8 -","4","1","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.1519","0.087","","","0.2168","0.2609","","","","","","1.07","","","","has coordinates","226494","2020-10-21","18:00:00",""
"4034991","15.9","0.03","19.904","0.014","7.73","0.013","90","","112.49","0.1","90","","2260","6","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DiPhMonoFPhIndenotetracene","9-(4-fluorophenyl)-10-phenylindeno[1,2,3-fg]tetracene","","- C36 H21 F -","- C36 H20.54 F -","- C144 H82.16 F4 -","4","0.5","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.0594","0.0479","","","0.1213","0.1301","","","","","","1.037","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034992","26.263","0.005","24.983","0.005","16.363","0.003","90","","127.9","0.03","90","","8472","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 N8 O5 -","- C42 H48 Cl2 N8 O5 -","- C336 H384 Cl16 N64 O40 -","8","1","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Namashivaya, Siva R.; Fedorova, Olga A.; Dorovatovskii, Pavel V.; Khrustalev, Viktor N.; Kataev, Evgeny A.","Hybrid Macrocycles for Selective Binding and Sensing of Fluoride in Aqueous Solution.","The Journal of organic chemistry","2018","83","4","2145","2153","10.1021/acs.joc.7b03077","","","0.9699","synchrotron","","0.1311","0.0976","","","0.1802","0.2012","","","","","","1.049","","","","has coordinates,has disorder","226495","2020-10-21","18:00:00",""
"4034993","10.6419","0.0005","9.2073","0.0004","22.7567","0.0012","90","","90","","90","","2229.77","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.0562","0.0404","","","0.0931","0.1008","","","","","","1.034","","","","has coordinates","226496","2020-10-21","18:00:00",""
"4034994","7.84","0.005","9.312","0.005","11.055","0.005","88.607","0.005","71.857","0.005","75.099","0.005","739.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.0617","0.0448","","","0.0983","0.1055","","","","","","1.075","","","","has coordinates","226497","2020-10-21","18:00:00",""
"4034995","8.777","0.005","9.9","0.005","17.369","0.005","90","0.005","90.258","0.005","90","0.005","1509.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.0996","0.0536","","","0.1066","0.1242","","","","","","1.006","","","","has coordinates","226498","2020-10-21","18:00:00",""
"4034996","7.676","0.005","7.865","0.005","9.394","0.005","104.851","0.005","96.825","0.005","94.814","0.005","540.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C22 H28 N4 O4 -","2","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.089","0.0512","","","0.1127","0.1284","","","","","","1.024","","","","has coordinates","226499","2020-10-21","18:00:00",""
"4034997","31.448","0.011","5.764","0.002","17.428","0.006","90","","95.748","0.008","90","","3143.2","1.9","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C152 H176 O16 -","8","1","","Frota, Carlise; Polo, Ellen Christine; Esteves, Henrique; Correia, Carlos Roque Duarte","Regioselective and Stereoselective Heck-Matsuda Arylations of Trisubstituted Allylic Alkenols and Their Silyl and Methyl Ether Derivatives To Access Two Contiguous Stereogenic Centers: Expanding the Redox-Relay Process and Application in the Total Synthesis of meso-Hexestrol.","The Journal of organic chemistry","2018","83","4","2198","2209","10.1021/acs.joc.7b03098","","","0.71073","MoKα","","0.0862","0.071","","","0.1781","0.189","","","","","","1.038","","","","has coordinates","226500","2020-10-21","18:00:00",""
"4034998","10.0873","0.0008","13.9444","0.0013","12.7124","0.0019","90","","106.462","0.011","90","","1714.8","0.3","103.3","","103.3","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C65.5 H9 N S3 -","- C65.5 H9 N S3 -","- C131 H18 N2 S6 -","2","0.5","","Wu, Sheng-Li; Gao, Xiang","Copper-Catalyzed Aerobic Oxidative Reaction of C<sub>60</sub> with Aliphatic Primary Amines and CS<sub>2</sub>.","The Journal of organic chemistry","2018","83","4","2125","2130","10.1021/acs.joc.7b03061","","","0.7107","MoKα","","0.0915","0.0601","","","0.1253","0.1407","","","","","","1.043","","","","has coordinates,has disorder","226501","2020-10-21","18:00:00",""
"4034999","9.7654","0.0004","9.669","0.0004","12.0922","0.0009","90","","94.477","0.004","90","","1138.28","0.11","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N O3 S2 -","- C9 H13 N O3 S2 -","- C36 H52 N4 O12 S8 -","4","1","","Wu, Sheng-Li; Gao, Xiang","Copper-Catalyzed Aerobic Oxidative Reaction of C<sub>60</sub> with Aliphatic Primary Amines and CS<sub>2</sub>.","The Journal of organic chemistry","2018","83","4","2125","2130","10.1021/acs.joc.7b03061","","","0.7107","MoKα","","0.0311","0.0274","","","0.0637","0.0662","","","","","","1.032","","","","has coordinates","226502","2020-10-21","18:00:00",""
"4035000","19.224","0.01","10.624","0.006","14.616","0.008","90","","136.066","0.004","90","","2071","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Cl N2 O2 -","- C10 H9 Cl N2 O2 -","- C80 H72 Cl8 N16 O16 -","8","1","","Maity, Rajib; Naskar, Sandip; Das, Indrajit","Copper(II)-Catalyzed Reactions of α-Keto Thioesters with Azides via C-C and C-S Bond Cleavages: Synthesis of N-Acylureas and Amides.","The Journal of organic chemistry","2018","83","4","2114","2124","10.1021/acs.joc.7b03054","","","0.71073","MoKα","","0.091","0.0471","","","0.1142","0.135","","","","","","1.032","","","","has coordinates","226504","2020-10-21","18:00:00",""
"4035001","13.755","0.004","5.1325","0.0015","25.638","0.008","90","","90","","90","","1810","0.9","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C80 H80 N16 O16 -","8","2","","Maity, Rajib; Naskar, Sandip; Das, Indrajit","Copper(II)-Catalyzed Reactions of α-Keto Thioesters with Azides via C-C and C-S Bond Cleavages: Synthesis of N-Acylureas and Amides.","The Journal of organic chemistry","2018","83","4","2114","2124","10.1021/acs.joc.7b03054","","","0.71073","MoKα","","0.0857","0.0766","","","0.1939","0.2041","","","","","","1.093","","","","has coordinates","226505","2020-10-21","18:00:00",""
"4035002","10.2333","0.0003","11.2199","0.0003","29.166","0.0008","90","","99.33","0.002","90","","3304.44","0.16","150.11","0.1","150.11","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H15 N O3 S -","- C20 H15 N O3 S -","- C160 H120 N8 O24 S8 -","8","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","","0.0526","0.0436","","","0.1233","0.1297","","","","","","1.049","","","","has coordinates,has disorder","226506","2020-10-21","18:00:00",""
"4035003","4.7727","0.0002","14.1337","0.0005","17.4306","0.0006","90","","94.745","0.002","90","","1171.77","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","K-L~3~","0.0405","0.0321","","","0.0768","0.0807","","","","","","1.056","","","","has coordinates","226507","2020-10-21","18:00:00",""
"4035004","19.3968","0.0009","6.3516","0.0003","10.0741","0.0005","90","","91.1632","0.0019","90","","1240.88","0.1","100.1","0.1","100.1","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","K-L~3~","0.0385","0.0317","","","0.0837","0.0883","","","","","","1.058","","","","has coordinates","226508","2020-10-21","18:00:00",""
"4035005","9.3136","0.0004","10.8927","0.0005","11.7419","0.0005","110.954","0.0012","109.926","0.0013","97.6942","0.0013","1000.48","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H16 Br2 -","- C28 H16 Br2 -","- C56 H32 Br4 -","2","1","","Thakellapalli, Haresh; Farajidizaji, Behzad; Li, Shuangjiang; Heller, Josef C.; Zhang, Yu; Akhmedov, Novruz G.; Milsmann, Carsten; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of a Cyclophane Bearing Two Benz[a]anthracene Units Connected at the 5 and 7 Positions with Two Naphth-1,4-diyl Groups.","The Journal of organic chemistry","2018","83","4","2455","2459","10.1021/acs.joc.7b03081","","","0.71073","MoKα","","0.06","0.0394","","","0.0957","0.1078","","","","","","1.032","","","","has coordinates","226509","2020-10-21","18:00:00",""
"4035006","11.8101","0.0012","22.902","0.002","8.8367","0.0009","90","","90","","90","","2390.1","0.4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H30 O6 S -","- C24 H30 O6 S -","- C96 H120 O24 S4 -","4","0.5","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.0423","0.0361","","","0.0905","0.0956","","","","","","1.048","","","","has coordinates","226510","2020-10-21","18:00:00",""
"4035007","9.674","0.0008","9.764","0.0009","18.3344","0.0016","75.149","0.001","80.115","0.001","77.802","0.001","1623.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 N2 O6 S -","- C33 H42 N2 O6 S -","- C66 H84 N4 O12 S2 -","2","1","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.051","0.047","","","0.1238","0.128","","","","","","1.027","","","","has coordinates,has disorder","226511","2020-10-21","18:00:00",""
"4035008","9.6064","0.0019","18.787","0.004","19.001","0.004","73.209","0.003","88.784","0.003","88.223","0.003","3281.2","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.5 H43.5 N1.5 O6 S -","- C34.5 H43.5 N1.5 O6 S -","- C138 H174 N6 O24 S4 -","4","2","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.0834","0.0703","","","0.1876","0.1987","","","","","","1.014","","","","has coordinates,has disorder","226512","2020-10-21","18:00:00",""
"4035009","14.1381","0.0001","15.8779","0.0001","20.5634","0.0002","90","","90","","90","","4616.14","0.06","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H52 Co2 O4 P2 Si2 -","- C47 H52 Co2 O4 P2 Si2 -","- C188 H208 Co8 O16 P8 Si8 -","4","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0371","0.0296","","0.0683","0.0641","0.0683","","","","","","1.006","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035010","17.1505","0.0002","12.7684","0.0002","22.9778","0.0003","90","","106.231","0.0005","90","","4831.23","0.11","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H106 Cl2 Co4 O8 P4 Si4 -","- C95 H106 Cl2 Co4 O8 P4 Si4 -","- C190 H212 Cl4 Co8 O16 P8 Si8 -","2","0.5","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0511","0.0348","","0.0842","0.0748","0.0842","","","","","","1.0006","","","","has coordinates,has disorder","226513","2020-10-21","18:00:00",""
"4035011","11.5356","0.0002","12.1471","0.0002","19.7928","0.0003","76.0952","0.0006","81.415","0.0007","64.0407","0.0006","2417.46","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H52 Co2 O4 P2 Si2 -","- C49 H52 Co2 O4 P2 Si2 -","- C98 H104 Co4 O8 P4 Si4 -","2","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0577","0.0382","","0.0838","0.0755","0.0838","","","","","","0.9947","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035012","12.9206","0.0002","13.1057","0.0002","17.0055","0.0003","104.464","0.0007","100.388","0.0008","111.906","0.0009","2464.22","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 Co2 O4 P2 Si2 -","- C51 H52 Co2 O4 P2 Si2 -","- C102 H104 Co4 O8 P4 Si4 -","2","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0454","0.0357","","0.0926","0.0837","0.0924","","","","","","1.0175","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035013","11.5368","0.0011","12.2121","0.001","17.3928","0.0018","82.618","0.007","84.683","0.008","81.577","0.007","2397.1","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H86 Co4 O8 P4 Si2 -","- C88 H86 Co4 O8 P4 Si2 -","- C88 H86 Co4 O8 P4 Si2 -","1","0.5","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.6889","Synchrotron","","0.0881","0.0542","","0.1335","0.1031","0.1335","","","","","","1.0096","","","","has coordinates,has disorder","226513","2020-10-21","18:00:00",""
"4035014","14.4102","0.0005","16.2137","0.0007","37.474","0.002","90","","98.528","0.005","90","","8658.7","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H87 Co4 O8 P4 Si2 -","- C88 H87 Co4 O8 P4 Si2 -","- C352 H348 Co16 O32 P16 Si8 -","4","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.6889","Synchrotron","","0.0976","0.0564","","0.1529","0.1192","0.1529","","","","","","1.0007","","","","has coordinates,has disorder","226513","2020-10-21","18:00:00",""
"4035015","11.7494","0.0001","21.5314","0.0001","20.7742","0.0001","90","","91.9224","0.0003","90","","5252.52","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H64 Co2 O4 P2 Si2 -","- C53 H64 Co2 O4 P2 Si2 -","- C212 H256 Co8 O16 P8 Si8 -","4","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0402","0.0314","","0.0784","0.0725","0.0784","","","","","","1.0008","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035016","5.8857","0.0001","12.0646","0.0002","13.8223","0.0003","77.515","0.002","82.318","0.002","78.463","0.002","934.73","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 Br N -","- C24 H20 Br N -","- C48 H40 Br2 N2 -","2","1","","Andreou, Dimitrios; Kallitsakis, Michael G.; Loukopoulos, Edward; Gabriel, Catherine; Kostakis, George E.; Lykakis, Ioannis N.","Copper-Promoted Regioselective Synthesis of Polysubstituted Pyrroles from Aldehydes, Amines, and Nitroalkenes via 1,2-Phenyl/Alkyl Migration.","The Journal of organic chemistry","2018","83","4","2104","2113","10.1021/acs.joc.7b03051","","x-ray","0.71075","MoKα","K-L~3~","0.0456","0.043","","","0.0929","0.0941","","","","","","1.182","","","","has coordinates","226514","2020-10-21","18:00:00",""
"4035017","12.5987","0.0008","16.8102","0.0013","21.1926","0.0016","90","","103.135","0.004","90","","4370.9","0.6","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C65 H40 Cl2 -","- C65 H40 Cl2 -","- C260 H160 Cl8 -","4","1","","Romain, Maxime; Quinton, Cassandre; Roisnel, Thierry; Jacques, Emmanuel; Rault-Berthelot, Joëlle; Poriel, Cyril","A Dihydrodinaphthoheptacene.","The Journal of organic chemistry","2018","83","4","1891","1897","10.1021/acs.joc.7b02834","","x-ray","0.71073","MoKα","","0.1938","0.071","","","0.1591","0.2204","","","","","","0.95","","","","has coordinates","226515","2020-10-21","18:00:00",""
"4035018","9.129","0.007","10.75","0.009","17.377","0.014","80.64","0.04","84.3","0.02","73.38","0.03","1610","2","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H22 B Cl3 Fe N6 -","- C39 H22 B Cl3 Fe N6 -","- C78 H44 B2 Cl6 Fe2 N12 -","2","1","","Muñoz, Alberto Viñas; Gotfredsen, Henrik; Jevric, Martyn; Kadziola, Anders; Hammerich, Ole; Nielsen, Mogens Brøndsted","Synthesis and Properties of Subphthalocyanine-Tetracyanobutadiene-Ferrocene Triads.","The Journal of organic chemistry","2018","83","4","2227","2234","10.1021/acs.joc.7b03122","","","0.71073","MoKα","","0.0606","0.0392","","","0.0829","0.0912","","","","","","1.017","","","","has coordinates","226516","2020-10-21","18:00:00",""
"4035019","10.9853","0.0002","13.3394","0.0002","16.8944","0.0002","90","","93.576","0.001","90","","2470.84","0.07","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Br N O -","- C32 H24 Br N O -","- C128 H96 Br4 N4 O4 -","4","1","","Ding, Ting-Hui; Xiao, Zu-Feng; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of Highly Functionalized Indoles and Indolones via Selectivity-Switchable Olefinations.","The Journal of organic chemistry","2018","83","4","2467","2472","10.1021/acs.joc.7b03158","","","1.54184","CuKα","","0.0549","0.0482","","","0.1314","0.1388","","","","","","1.041","","","","has coordinates","226517","2020-10-21","18:00:00",""
"4035020","7.991","0.003","8.632","0.003","11.023","0.004","109.502","0.016","100.029","0.016","93.386","0.016","700.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C32 H36 Br2 N2 O4 -","2","1","","Abranches, Paula Aline da Silva; de Paiva, Walysson Ferreira; de Fátima, Ângelo; Martins, Felipe Terra; Fernandes, Sergio Antonio","Calix[n]arene-Catalyzed Three-Component Povarov Reaction: Microwave-Assisted Synthesis of Julolidines and Mechanistic Insights.","The Journal of organic chemistry","2018","83","4","1761","1771","10.1021/acs.joc.7b02532","","","0.71073","MoKα","","0.0323","0.0265","","","0.0681","0.0706","","","","","","1.048","","","","has coordinates","226518","2020-10-21","18:00:00",""
"4035021","7.1638","0.0004","7.3976","0.0004","18.5628","0.001","90","","96.411","0.002","90","","977.58","0.09","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H19 Br N O5 P -","- C18 H19 Br N O5 P -","- C36 H38 Br2 N2 O10 P2 -","2","1","","Hazra, Gurupada; Pratap, Shiv; Ghorai, Prasanta","Organocatalytic, Chemoselective Hydrophosphenylation/oxa-Michael Addition Cascade toward Diastereo- and Enantioenriched 1,3-Dihydroisobenzofuryl Phosphonates.","The Journal of organic chemistry","2018","83","17","9654","9666","10.1021/acs.joc.8b01048","","","0.71073","MoKα","","0.0793","0.0487","","","0.1068","0.1195","","","","","","1.038","","","","has coordinates","226519","2020-10-21","18:00:00",""
"4035022","3.8804","0.0006","15.393","0.003","22.337","0.004","90","","94.074","0.005","90","","1330.8","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 N O -","- C19 H11 N O -","- C76 H44 N4 O4 -","4","1","","Villuri, Bharath Kumar; Ichake, Sachin S.; Reddy, Sabbasani Rajasekhara; Kavala, Veerababurao; Bandi, Vijayalakshmi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-Catalyzed Cascade Synthesis of 2-Aryl-3-cyanobenzofuran and Dibenzo[ b, f]oxepine-10-carbonitrile Derivatives.","The Journal of organic chemistry","2018","83","17","10241","10247","10.1021/acs.joc.8b01443","","","0.71073","MoKα","","0.0416","0.0327","","","0.0807","0.0891","","","","","","1.093","","","","has coordinates","226520","2020-10-21","18:00:00",""
"4035023","10.2582","0.0005","4.6635","0.0002","28.4043","0.0016","90","","93.906","0.002","90","","1355.68","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Villuri, Bharath Kumar; Ichake, Sachin S.; Reddy, Sabbasani Rajasekhara; Kavala, Veerababurao; Bandi, Vijayalakshmi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-Catalyzed Cascade Synthesis of 2-Aryl-3-cyanobenzofuran and Dibenzo[ b, f]oxepine-10-carbonitrile Derivatives.","The Journal of organic chemistry","2018","83","17","10241","10247","10.1021/acs.joc.8b01443","","","0.71073","MoKα","","0.0422","0.0352","","","0.0877","0.0936","","","","","","1.05","","","","has coordinates","226521","2020-10-21","18:00:00",""
"4035024","3.7895","0.0008","21.669","0.005","13.318","0.004","90","","92.452","0.007","90","","1092.6","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 F N O -","- C15 H8 F N O -","- C60 H32 F4 N4 O4 -","4","1","","Villuri, Bharath Kumar; Ichake, Sachin S.; Reddy, Sabbasani Rajasekhara; Kavala, Veerababurao; Bandi, Vijayalakshmi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-Catalyzed Cascade Synthesis of 2-Aryl-3-cyanobenzofuran and Dibenzo[ b, f]oxepine-10-carbonitrile Derivatives.","The Journal of organic chemistry","2018","83","17","10241","10247","10.1021/acs.joc.8b01443","","","0.71073","MoKα","","0.1086","0.0564","","","0.1302","0.1603","","","","","","1.022","","","","has coordinates","226522","2020-10-21","18:00:00",""
"4035025","13.976","0.007","8.894","0.004","16.293","0.008","90","","104.977","0.009","90","","1956.5","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl3 N3 Ni O3 -","- C36 H32 Cl3 N3 Ni O3 -","- C72 H64 Cl6 N6 Ni2 O6 -","2","1","","Wang, Shuni; Nian, Yong; Zhou, Shengbin; Wang, Jiang; Liu, Hong","Chemical Resolution of C, N-Unprotected α-Substituted β-Amino Acids Using Stable and Recyclable Proline-Derived Chiral Ligands.","The Journal of organic chemistry","2018","83","17","9870","9878","10.1021/acs.joc.8b01336","","","0.71073","MoKα","","0.1605","0.086","","","0.1771","0.2048","","","","","","0.916","","","","has coordinates","226523","2020-10-21","18:00:00",""
"4035026","11.104","0.006","9.016","0.005","16.057","0.008","90","","92.807","0.01","90","","1605.6","1.5","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl3 N3 Ni O3 -","- C36 H32 Cl3 N3 Ni O3 -","- C72 H64 Cl6 N6 Ni2 O6 -","2","1","","Wang, Shuni; Nian, Yong; Zhou, Shengbin; Wang, Jiang; Liu, Hong","Chemical Resolution of C, N-Unprotected α-Substituted β-Amino Acids Using Stable and Recyclable Proline-Derived Chiral Ligands.","The Journal of organic chemistry","2018","83","17","9870","9878","10.1021/acs.joc.8b01336","","","0.71073","MoKα","","0.1092","0.0739","","","0.1665","0.1893","","","","","","0.996","","","","has coordinates","226524","2020-10-21","18:00:00",""
"4035027","6.0555","0.0005","10.5535","0.0009","19.4333","0.0016","90","","98.716","0.001","90","","1227.58","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 I2 N O -","- C11 H11 I2 N O -","- C44 H44 I8 N4 O4 -","4","1","","Zhu, Yu; Shao, Li-Dong; Deng, Zhen-Tao; Bao, Ying; Shi, Xin; Zhao, Qin-Shi","PIDA/I<sub>2</sub>-Mediated α- and β-C(sp<sup>3</sup>)-H Bond Dual Functionalization of Tertiary Amines.","The Journal of organic chemistry","2018","83","17","10166","10174","10.1021/acs.joc.8b01424","","","0.71073","MoKα","","0.0392","0.0369","","","0.1106","0.1122","","","","","","1.078","","","","has coordinates","226525","2020-10-21","18:00:00",""
"4035028","8.4152","0.0016","8.0644","0.0015","13.713","0.003","90","","93.685","0.003","90","","928.7","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 I2 N O -","- C6 H9 I2 N O -","- C24 H36 I8 N4 O4 -","4","1","","Zhu, Yu; Shao, Li-Dong; Deng, Zhen-Tao; Bao, Ying; Shi, Xin; Zhao, Qin-Shi","PIDA/I<sub>2</sub>-Mediated α- and β-C(sp<sup>3</sup>)-H Bond Dual Functionalization of Tertiary Amines.","The Journal of organic chemistry","2018","83","17","10166","10174","10.1021/acs.joc.8b01424","","","0.71073","MoKα","","0.0398","0.0335","","","0.0834","0.0876","","","","","","1.169","","","","has coordinates","226526","2020-10-21","18:00:00",""
"4035029","8.7161","0.001","7.7989","0.0009","10.9853","0.0012","90","","98.149","0.001","90","","739.2","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 I N O3 -","- C16 H18 I N O3 -","- C32 H36 I2 N2 O6 -","2","1","","Zhu, Yu; Shao, Li-Dong; Deng, Zhen-Tao; Bao, Ying; Shi, Xin; Zhao, Qin-Shi","PIDA/I<sub>2</sub>-Mediated α- and β-C(sp<sup>3</sup>)-H Bond Dual Functionalization of Tertiary Amines.","The Journal of organic chemistry","2018","83","17","10166","10174","10.1021/acs.joc.8b01424","","","0.71073","MoKα","","0.015","0.0148","","","0.0377","0.0377","","","","","","1.108","","","","has coordinates","226527","2020-10-21","18:00:00",""
"4035030","16.642","0.003","8.5259","0.0007","21.871","0.003","90","","107.058","0.017","90","","2966.7","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O6 S -","- C14 H17 N O6 S -","- C112 H136 N8 O48 S8 -","8","2","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0473","0.0413","","","0.1102","0.1139","","","","","","1.045","","","","has coordinates,has disorder","226528","2020-10-21","18:00:00",""
"4035031","8.7848","0.0008","5.5237","0.0006","12.4287","0.0012","90","","99.342","0.009","90","","595.1","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H17 N O3 S -","- C11 H17 N O3 S -","- C22 H34 N2 O6 S2 -","2","1","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0761","0.0678","","","0.1678","0.179","","","","","","1.052","","","","has coordinates","226529","2020-10-21","18:00:00",""
"4035032","8.0528","0.0003","10.4267","0.0004","20.0816","0.0006","90","","92.974","0.003","90","","1683.86","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","2","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0423","0.0392","","","0.1049","0.1074","","","","","","1.052","","","","has coordinates,has disorder","226530","2020-10-21","18:00:00",""
"4035033","11.19566","0.00005","11.19566","0.00005","16.25033","0.00011","90","","90","","90","","2036.86","0.019","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C80 H104 N8 O16 S8 -","8","1","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0218","0.0218","","","0.0603","0.0603","","","","","","1.089","","","","has coordinates,has disorder","226531","2020-10-21","18:00:00",""
"4035034","5.35148","0.00012","13.2226","0.0003","16.0719","0.0003","90","","96.9164","0.0019","90","","1128.98","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl F3 N O -","- C11 H11 Cl F3 N O -","- C44 H44 Cl4 F12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.0776","0.0778","","","","","","1.061","","","","has coordinates","226532","2020-10-21","18:00:00",""
"4035035","10.4462","0.0002","13.3919","0.0002","10.8689","0.0002","90","","115.11","0.003","90","","1376.8","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F5 N O -","- C15 H10 F5 N O -","- C60 H40 F20 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0392","0.0389","","","0.1069","0.1071","","","","","","1.072","","","","has coordinates,has disorder","226533","2020-10-21","18:00:00",""
"4035036","5.01791","0.00018","9.1748","0.0003","14.1441","0.0006","90","","100.168","0.004","90","","640.94","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C30 H24 F6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.032","0.0304","","","0.0722","0.0731","","","","","","1.038","","","","has coordinates","226534","2020-10-21","18:00:00",""
"4035037","5.5726","0.0004","16.6112","0.0008","15.731","0.001","90","","96.073","0.006","90","","1448.01","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl3 N O -","- C15 H12 Cl3 N O -","- C60 H48 Cl12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0647","0.0556","","","0.1014","0.1043","","","","","","1.224","","","","has coordinates","226535","2020-10-21","18:00:00",""
"4035038","11.5272","0.0009","6.0424","0.0006","24.9593","0.0015","90","","93.833","0.007","90","","1734.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2.985 N O3 -","- C17 H16 Cl2.985 N O3 -","- C68 H64 Cl11.94 N4 O12 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","1.54184","CuKα","","0.0743","0.0604","","","0.1565","0.1743","","","","","","1.0514","","","","has coordinates,has disorder","226536","2020-10-21","18:00:00",""
"4035039","6.4856","0.0005","10.5126","0.0011","13.3256","0.0013","104.204","0.009","93.568","0.007","97.731","0.007","868.46","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 F3 N O -","- C19 H20 F3 N O -","- C38 H40 F6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.1517","0.0976","","","0.2832","0.3317","","","","","","1.046","","","","has coordinates","226537","2020-10-21","18:00:00",""
"4035040","8.3415","0.0002","11.0216","0.0003","11.7741","0.0003","66.39","0.003","76.807","0.002","80.568","0.002","962.49","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 Cl3 N O -","- C19 H20 Cl3 N O -","- C38 H40 Cl6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0451","0.0428","","","0.1187","0.1209","","","","","","1.05","","","","has coordinates","226538","2020-10-21","18:00:00",""
"4035041","12.1625","0.0003","5.95218","0.00015","20.3165","0.0005","90","","97.608","0.002","90","","1457.83","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl3 N O -","- C15 H12 Cl3 N O -","- C60 H48 Cl12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","0.71073","MoKα","","0.0375","0.0289","","","0.0635","0.068","","","","","","1.026","","","","has coordinates","226539","2020-10-21","18:00:00",""
"4035042","11.3298","0.0009","14.7085","0.0008","14.79","0.0012","112.401","0.006","111.794","0.008","90.343","0.005","2084.4","0.3","100","5","100","5","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 F3 N O -","- C23 H28 F3 N O -","- C92 H112 F12 N4 O4 -","4","2","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0753","0.0549","","","0.1381","0.1561","","","","","","1.05","","","","has coordinates","226540","2020-10-21","18:00:00",""
"4035043","7.4873","0.0005","9.526","0.0007","9.734","0.0009","100.892","0.007","108.69","0.007","93.579","0.005","640.14","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C30 H24 F6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","0.71073","MoKα","","0.0766","0.0487","","","0.0905","0.1092","","","","","","1.067","","","","has coordinates","226541","2020-10-21","18:00:00",""
"4035044","14.2867","0.0005","6.1746","0.0002","21.3414","0.0007","90","","92.632","0.003","90","","1880.64","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br3 Cl2 N O -","- C16 H14 Br3 Cl2 N O -","- C64 H56 Br12 Cl8 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0581","0.0378","","","0.0766","0.0859","","","","","","0.999","","","","has coordinates","226542","2020-10-21","18:00:00",""
"4035045","9.1989","0.0006","11.3605","0.0007","12.1333","0.0006","68.473","0.006","81.496","0.005","73.833","0.006","1131.4","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.01 H28 Cl3 N O -","- C23 H28 Cl3 N O -","- C46 H56 Cl6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0675","0.0502","","","0.1085","0.1181","","","","","","1.035","","","","has coordinates,has disorder","226543","2020-10-21","18:00:00",""
"4035046","5.8087","0.0003","15.6067","0.0008","16.7214","0.0008","90","","90","","90","","1515.87","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br3 N O -","- C15 H12 Br3 N O -","- C60 H48 Br12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0378","0.0373","","","0.1052","0.1058","","","","","","1.075","","","","has coordinates","226544","2020-10-21","18:00:00",""
"4035047","13.6502","0.0008","5.5638","0.0003","25.477","0.002","90","","93.556","0.006","90","","1931.2","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H21 N2 O5.5 -","- C21.5 H21 N2 O5.5 -","- C86 H84 N8 O22 -","4","1","","Cristòfol, Àlex; Escudero-Adán, Eduardo C; Kleij, Arjan W.","Palladium-Catalyzed ( Z)-Selective Allylation of Nitroalkanes: Access to Highly Functionalized Homoallylic Scaffolds.","The Journal of organic chemistry","2018","83","17","9978","9990","10.1021/acs.joc.8b01372","","","0.7107","MoKα","","0.0761","0.0418","","","0.0854","0.097","","","","","","0.932","","","","has coordinates,has disorder","226545","2020-10-21","18:00:00",""
"4035048","15.5766","0.0003","14.06756","0.00019","21.4444","0.0004","90","","106.56","0.0019","90","","4504.09","0.14","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C204 H180 N12 O36 -","12","3","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.0743","0.0561","","","0.1521","0.1767","","","","","","1.037","","","","has coordinates","226546","2020-10-21","18:00:00",""
"4035049","8.4322","0.0003","21.4954","0.0007","9.3861","0.0002","90","","96.136","0.003","90","","1691.52","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.1041","0.0822","","","0.2153","0.2497","","","","","","1.088","","","","has coordinates","226547","2020-10-21","18:00:00",""
"4035050","9.7126","0.0002","20.5098","0.0004","12.2179","0.0004","90","","107.992","0.003","90","","2314.83","0.11","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O4 -","- C30 H22 O4 -","- C120 H88 O16 -","4","1","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.0633","0.0428","","","0.1066","0.1207","","","","","","1.031","","","","has coordinates","226548","2020-10-21","18:00:00",""
"4035051","24.4632","0.001","6.3155","0.0002","7.98","0.0003","90","","90","","90","","1232.89","0.08","293","","293","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.0665","0.0551","","","0.1491","0.1714","","","","","","1.095","","","","has coordinates","226549","2020-10-21","18:00:00",""
"4035052","15.6648","0.0004","6.225","0.0002","9.6874","0.0002","90","","92.105","0.002","90","","944.01","0.04","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","1.54184","CuKα","","0.0421","0.0383","","","0.1094","0.114","","","","","","1.024","","","","has coordinates","226550","2020-10-21","18:00:00",""
"4035053","17.1351","0.0019","18.035","0.0011","15.9634","0.0015","90","","104.132","0.011","90","","4783.9","0.8","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N O Si -","- C6 H13 N O Si -","- C120 H260 N20 O20 Si20 -","20","5","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","0.71073","MoKα","","0.166","0.0868","","","0.215","0.2797","","","","","","1.044","","","","has coordinates,has disorder","226551","2020-10-21","18:00:00",""
"4035054","13.7589","0.0003","6.3812","0.0001","9.7121","0.0002","90","","104.51","0.002","90","","825.51","0.03","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F N O -","- C9 H8 F N O -","- C36 H32 F4 N4 O4 -","4","1","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","1.54184","CuKα","","0.0411","0.0381","","","0.1092","0.1128","","","","","","1.041","","","","has coordinates","226552","2020-10-21","18:00:00",""
"4035055","18.3993","0.0005","3.8588","0.0001","20.1602","0.0006","90","","110.214","0.003","90","","1343.2","0.07","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F2 N O -","- C17 H11 F2 N O -","- C68 H44 F8 N4 O4 -","4","1","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","1.54184","CuKα","","0.0544","0.0482","","","0.1307","0.1383","","","","","","1.048","","","","has coordinates,has disorder","226553","2020-10-21","18:00:00",""
"4035056","8.2753","0.0002","12.7887","0.0004","12.9785","0.0004","62.156","0.003","85.674","0.002","71.169","0.002","1144.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Br N2 O2 S -","- C24 H21 Br N2 O2 S -","- C48 H42 Br2 N4 O4 S2 -","2","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0292","0.0276","","","0.0717","0.0729","","","","","","1.039","","","","has coordinates","226554","2020-10-21","18:00:00",""
"4035057","16.8993","0.0002","13.773","0.0001","17.8139","0.0002","90","","90","","90","","4146.26","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C192 H176 N16 O24 S8 -","8","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","","0.71073","MoKα","","0.0453","0.0388","","","0.095","0.0995","","","","","","1.054","","","","has coordinates","226555","2020-10-21","18:00:00",""
"4035058","15.4369","0.0006","8.5736","0.0003","14.8908","0.0005","90","","105.541","0.004","90","","1898.74","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O4 S -","- C22 H19 N2.977 O4 S -","- C88 H76 N11.908 O16 S4 -","4","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","","0.71073","MoKα","","0.0497","0.0392","","","0.0916","0.098","","","","","","1.026","","","","has coordinates","226556","2020-10-21","18:00:00",""
"4035059","8.0862","0.0003","13.6933","0.0005","13.547","0.0004","90","","96.885","0.003","90","","1489.2","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O4 S -","- C16 H13 N3 O4 S -","- C64 H52 N12 O16 S4 -","4","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0373","0.0362","","","0.0978","0.0988","","","","","","1.055","","","","has coordinates","226557","2020-10-21","18:00:00",""
"4035060","7.9586","0.0002","15.7174","0.0006","30.9471","0.001","90","","90","","90","","3871.1","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N3 O5 S -","- C22 H18 F N3 O5 S -","- C176 H144 F8 N24 O40 S8 -","8","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0424","0.039","","","0.1035","0.106","","","","","","1.056","","","","has coordinates","226558","2020-10-21","18:00:00",""
"4035061","8.3367","0.0002","12.4816","0.0004","12.9221","0.0004","112.654","0.003","95.011","0.002","108.452","0.003","1142.96","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Br N2 O3 S -","- C24 H21 Br N2 O3 S -","- C48 H42 Br2 N4 O6 S2 -","2","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0337","0.0327","","","0.0816","0.0823","","","","","","1.089","","","","has coordinates","226559","2020-10-21","18:00:00",""
"4035062","12.6257","0.0012","15.9625","0.0015","20.596","0.0019","90","","97.372","0.002","90","","4116.6","0.7","571","2","571","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C208 H184 N8 O16 -","8","2","","Ghosh, Koushik; Shankar, Majji; Rit, Raja K.; Dubey, Gurudutt; Bharatam, Prasad V.; Sahoo, Akhila K.","Sulfoximine-Assisted One-Pot Unsymmetrical Multiple Annulation of Arenes: A Combined Experimental and Computational Study.","The Journal of organic chemistry","2018","83","17","9667","9681","10.1021/acs.joc.8b01077","","","0.71073","MoKα","","0.1386","0.0668","","","0.1559","0.1954","","","","","","1.004","","","","has coordinates","226560","2020-10-21","18:00:00",""
"4035063","8.4828","0.0015","9.5212","0.0016","25.663","0.004","90","","90","","90","","2072.7","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","WP-4-105","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Powell, Wyatt C.; Walczak, Maciej A.","Asymmetric Synthesis of Chiral 1,2-Amino Alcohols and Morpholin-2-ones from Arylglyoxals.","The Journal of organic chemistry","2018","83","17","10487","10500","10.1021/acs.joc.8b01516","","","0.71073","MoKα","","0.0574","0.0445","","","0.0959","0.1007","","","","","","1.027","","","","has coordinates","226561","2020-10-21","18:00:00",""
"4035064","9.343","0.008","11.102","0.009","19.127","0.016","90","","90","","90","","1984","3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","WP-20mL vial","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","1","","Powell, Wyatt C.; Walczak, Maciej A.","Asymmetric Synthesis of Chiral 1,2-Amino Alcohols and Morpholin-2-ones from Arylglyoxals.","The Journal of organic chemistry","2018","83","17","10487","10500","10.1021/acs.joc.8b01516","","","0.71073","MoKα","","0.0395","0.0362","","","0.0949","0.098","","","","","","1.048","","","","has coordinates","226562","2020-10-21","18:00:00",""
"4035065","5.3196","0.0002","13.2115","0.0005","19.4963","0.0007","90","","90","","90","","1370.2","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0326","0.0277","","","0.0619","0.0654","","","","","","1.058","","","","has coordinates","226563","2020-10-21","18:00:00",""
"4035066","7.3556","0.0002","11.9761","0.0004","21.0147","0.0007","90","","90","","90","","1851.21","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O7 -","- C21 H19 N O7 -","- C84 H76 N4 O28 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0303","0.0267","","","0.0649","0.067","","","","","","1.063","","","","has coordinates","226564","2020-10-21","18:00:00",""
"4035067","8.9478","0.0002","13.8124","0.0003","18.1979","0.0005","90","","90","","90","","2249.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0397","0.0351","","","0.0908","0.0946","","","","","","1.008","","","","has coordinates","226565","2020-10-21","18:00:00",""
"4035068","10.933","0.007","9.353","0.005","11.274","0.009","90","","108.644","0.008","90","","1092.3","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(2,2,2-trinitroethyl)-1H-1,2,3-triazole-4,5-dicarbonitrile","1-(2,2,2-trinitroethyl)-1H-1,2,3-triazole-4,5-dicarbonitrile","","- C6 H2 N8 O6 -","- C6 H2 N8 O6 -","- C24 H8 N32 O24 -","4","1","","Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas; Unger, Cornelia C.","Synthetic Routes to a Triazole and Tetrazole with Trinitroalkyl Substitution at Nitrogen.","The Journal of organic chemistry","2018","83","17","10505","10509","10.1021/acs.joc.8b01072","","","0.71073","MoKα","","0.0773","0.0453","","","0.0923","0.1064","","","","","","1.023","","","","has coordinates","226566","2020-10-21","18:00:00",""
"4035069","11.0691","0.0016","7.7257","0.0009","12.03","0.002","90","","114.457","0.019","90","","936.5","0.3","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(3,3,3-trinitropropyl)-tetrazole","1-(3,3,3-trinitropropyl)-1H-tetrazole","","- C4 H5 N7 O6 -","- C4 H5 N7 O6 -","- C16 H20 N28 O24 -","4","1","","Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas; Unger, Cornelia C.","Synthetic Routes to a Triazole and Tetrazole with Trinitroalkyl Substitution at Nitrogen.","The Journal of organic chemistry","2018","83","17","10505","10509","10.1021/acs.joc.8b01072","","","0.71073","MoKα","","0.0795","0.0449","","","0.0769","0.0911","","","","","","0.977","","","","has coordinates","226567","2020-10-21","18:00:00",""
"4035070","8.98962","0.00008","9.4394","0.00012","14.40897","0.00012","90","","94.9113","0.0008","90","","1218.21","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H24 N2 O5 -","- C30 H24 N2 O5 -","- C60 H48 N4 O10 -","2","1","","Chen, Yu; Cui, Bao-Dong; Wang, Yi; Han, Wen-Yong; Wan, Nan-Wei; Bai, Mei; Yuan, Wei-Cheng; Chen, Yong-Zheng","Asymmetric [3 + 2] Cycloaddition Reaction of Isatin-Derived MBH Carbonates with 3-Methyleneoxindoles: Enantioselective Synthesis of 3,3'-Cyclopentenyldispirooxindoles Incorporating Two Adjacent Quaternary Spirostereocenters.","The Journal of organic chemistry","2018","83","17","10465","10475","10.1021/acs.joc.8b01506","","x-ray","1.54184","CuKα","","0.0438","0.0429","","","0.1152","0.1161","","","","","","1.077","","","","has coordinates","226568","2020-10-21","18:00:00",""
"4035071","40.6426","0.0012","19.3429","0.0005","5.63427","0.00014","90","","90","","90","","4429.4","0.2","150","","150","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C26 H34 N2 O2 -","- C26 H34 N2 O2 -","- C208 H272 N16 O16 -","8","0.5","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0276","0.027","","0.0699","0.0693","0.0699","","","","","","1.0053","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035072","11.2423","0.0004","10.247","0.0003","10.5891","0.0003","90","","112.855","0.004","90","","1124.09","0.07","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0398","0.0376","","0.0989","0.097","0.0989","","","","","","1.001","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035073","11.06116","0.00015","12.025","0.0002","12.97101","0.00018","90","","92.7666","0.0013","90","","1723.27","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","2","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0371","0.0363","","0.0978","0.0965","0.0978","","","","","","0.9982","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035074","5.71465","0.00009","11.1475","0.0002","9.58011","0.00015","90","","106.521","0.0017","90","","585.097","0.017","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0274","0.0267","","0.0663","0.0657","0.0663","","","","","","1.0335","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035075","7.6974","0.0003","8.3857","0.0004","27.1665","0.0015","90","","90","","90","","1753.55","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0485","0.0448","","0.1217","0.1185","0.1217","","","","","","0.9998","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035076","6.20379","0.00019","10.109","0.0004","21.0273","0.0007","90","","90","","90","","1318.71","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.031","0.0294","","0.0726","0.0714","0.0726","","","","","","1.0014","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035077","6.09911","0.00009","19.8667","0.0003","20.5517","0.0003","90","","90","","90","","2490.23","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N O5 S -","- C28 H33 N O5 S -","- C112 H132 N4 O20 S4 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.039","0.0369","","0.112","0.0991","0.1091","","","","","","1.0045","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035078","7.5945","0.0005","14.1084","0.0008","16.4675","0.0007","90","","90","","90","","1764.43","0.17","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0762","0.0718","","0.2015","0.1959","0.2015","","","","","","1.0006","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035079","6.66884","0.00012","10.20673","0.00017","26.001","0.0005","90","","90","","90","","1769.81","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0409","0.0379","","0.1017","0.0941","0.1017","","","","","","0.9969","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035080","6.1718","0.0012","8.9442","0.0008","19.711","0.002","90","","91.81","0.015","90","","1087.5","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 Cl3 N O3 -","- C22 H28 Cl3 N O3 -","- C44 H56 Cl6 N2 O6 -","2","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0506","0.049","","0.1248","0.1237","0.1248","","","","","","1.0051","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035081","6.4569","0.0003","8.3507","0.0003","25.6234","0.001","90","","90","","90","","1381.6","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0294","0.0277","","0.0703","0.0685","0.0703","","","","","","1.0084","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035082","7.15836","0.00007","10.69592","0.00012","24.2138","0.0002","90","","90","","90","","1853.94","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0307","0.03","","0.0795","0.0787","0.0794","","","","","","1.0015","","","","has coordinates,has disorder","226569","2020-10-21","18:00:00",""
"4035083","15.45","0.0013","8.1309","0.0007","17.7096","0.0015","90","","115.073","0.004","90","","2015.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N2 O2 S4 -","- C17 H30 N2 O2 S4 -","- C68 H120 N8 O8 S16 -","4","1","","Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.","Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.","The Journal of organic chemistry","2018","83","17","10025","10036","10.1021/acs.joc.8b01382","","","1.54178","CuKα","","0.3244","0.0797","","","0.2919","0.44","","","","","","1.875","","","","has coordinates","226570","2020-10-21","18:00:00",""
"4035084","26.509","0.005","10.6554","0.0019","14.59","0.003","90","","90","","90","","4121.1","1.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H34 N2 S4 -","- C17 H34 N2 S4 -","- C136 H272 N16 S32 -","8","1","","Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.","Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.","The Journal of organic chemistry","2018","83","17","10025","10036","10.1021/acs.joc.8b01382","","","0.71073","MoKα","","0.0861","0.0786","","","0.2039","0.21","","","","","","1.061","","","","has coordinates","226571","2020-10-21","18:00:00",""
"4035085","9.821","0.003","27.136","0.007","9.389","0.002","90","","117.809","0.003","90","","2213.2","1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H37 B N2 S4 -","- C17 H37 B N2 S4 -","- C68 H148 B4 N8 S16 -","4","1","","Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.","Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.","The Journal of organic chemistry","2018","83","17","10025","10036","10.1021/acs.joc.8b01382","","","0.71073","MoKα","","0.0538","0.0426","","","0.0864","0.0922","","","","","","1.037","","","","has coordinates","226572","2020-10-21","18:00:00",""
"4035086","15.7615","0.0015","19.7057","0.0019","16.691","0.002","90","","116.115","0.004","90","","4654.9","0.9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.5 H23 Cl F N3 -","- C28.5 H23 Cl F N3 -","- C228 H184 Cl8 F8 N24 -","8","2","","Kibriya, Golam; Bagdi, Avik Kumar; Hajra, Alakananda","Visible-Light-Promoted C(sp<sup>3</sup>)-C(sp<sup>2</sup>) Cross-Dehydrogenative Coupling of Tertiary Amine with Imidazopyridine.","The Journal of organic chemistry","2018","83","17","10619","10626","10.1021/acs.joc.8b01433","","","0.71073","MoKα","","0.1407","0.0873","","","0.2016","0.2616","","","","","","1.109","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4035087","14.6889","0.001","10.2866","0.0007","15.7695","0.0011","90","","90.499","0.001","90","","2382.7","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H35 B N4 O7 -","- C22 H35 B N4 O7 -","- C88 H140 B4 N16 O28 -","4","2","","Golovanov, Ivan S.; Mazeina, Galina S.; Nelyubina, Yulia V.; Novikov, Roman A.; Mazur, Anton S.; Britvin, Sergey N.; Tartakovsky, Vladimir A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Exploiting Coupling of Boronic Acids with Triols for a pH-Dependent ""Click-Declick"" Chemistry.","The Journal of organic chemistry","2018","83","17","9756","9773","10.1021/acs.joc.8b01296","","","0.71073","MoKα","","0.0594","0.0443","","","0.0967","0.1056","","","","","","1.003","","","","has coordinates","226574","2020-10-21","18:00:00",""
"4035088","9.1299","0.0002","13.163","0.0003","23.1982","0.0004","97.047","0.002","91.529","0.002","101.08","0.002","2711.64","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","t-Butyl 2-benzyl-5-{[4-(benzyloxy)phenyl]methyl}-2-hydroxy-3-methyl- 4-oxoimidazolidine-1-carboxylate","","- C30 H34 N2 O5 -","- C30 H34 N2 O5 -","- C120 H136 N8 O20 -","4","2","","Lamb, Richard A.; Lucas, Nigel T.; Lessene, Guillaume; Hawkins, Bill C.","Strategies, Setbacks, and Successes in the Synthesis of (-)-Spiroleucettadine.","The Journal of organic chemistry","2018","83","17","10120","10133","10.1021/acs.joc.8b01404","","","1.54184","CuKα","","0.0576","0.0486","","","0.1232","0.132","","","","","","1.025","","","","has coordinates","226575","2020-10-21","18:00:00",""
"4035089","10.6463","0.0008","20.6161","0.0017","14.6073","0.0012","90","","103.522","0.003","90","","3117.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 Cl N2 O2 S -","- C33 H39 Cl N2 O2 S -","- C132 H156 Cl4 N8 O8 S4 -","4","1","","Zhu, Xiao-Tong; Lu, Qiu-Li; Wang, Xiang; Zhang, Tian-Shu; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Substrate-Controlled Generation of 3-Sulfonylated 1-Indenones and 3-Arylated ( Z)-Indenes via Cu-Catalyzed Radical Cyclization Cascades of o-Alkynylbenzonitriles.","The Journal of organic chemistry","2018","83","17","9890","9901","10.1021/acs.joc.8b01343","","","0.71073","MoKα","","0.1164","0.0615","","","0.1678","0.1975","","","","","","1.098","","","","has coordinates,has disorder","226576","2020-10-21","18:00:00",""
"4035090","9.8859","0.0008","10.2261","0.0009","11.994","0.001","73.329","0.001","84.566","0.002","73.789","0.001","1115.23","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 O3 S -","- C26 H24 O3 S -","- C52 H48 O6 S2 -","2","1","","Zhu, Xiao-Tong; Lu, Qiu-Li; Wang, Xiang; Zhang, Tian-Shu; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Substrate-Controlled Generation of 3-Sulfonylated 1-Indenones and 3-Arylated ( Z)-Indenes via Cu-Catalyzed Radical Cyclization Cascades of o-Alkynylbenzonitriles.","The Journal of organic chemistry","2018","83","17","9890","9901","10.1021/acs.joc.8b01343","","","0.71073","MoKα","","0.0873","0.0491","","","0.0954","0.1032","","","","","","1.091","","","","has coordinates,has disorder","226577","2020-10-21","18:00:00",""
"4035091","10.071","0.003","17.413","0.004","18.47","0.005","90","","90","","90","","3239","1.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 N2 O5 -","- C32 H48 N2 O5 -","- C128 H192 N8 O20 -","4","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","0.71073","MoKα","","0.1826","0.0393","","","0.0542","0.0706","","","","","","0.621","","","","has coordinates","226578","2020-10-21","18:00:00",""
"4035092","5.976","0.0002","9.0579","0.0004","10.1215","0.0004","90","","91.597","0.002","90","","547.66","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C20 H34 N2 O10 -","2","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","1.54178","CuKα","","0.0238","0.0238","","","0.0627","0.0627","","","","","","1.093","","","","has coordinates","226579","2020-10-21","18:00:00",""
"4035093","9.8914","0.0012","11.3971","0.0013","13.1289","0.0015","90","","95.73","0.002","90","","1472.7","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H48 N2 O6 -","- C27 H48 N2 O6 -","- C54 H96 N4 O12 -","2","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","0.71073","MoKα","","0.0649","0.0507","","","0.1249","0.1363","","","","","","1.049","","","","has coordinates","226580","2020-10-21","18:00:00",""
"4035094","8.8996","0.0008","9.65","0.0008","12.1116","0.001","106.271","0.0014","94.4157","0.0015","102.882","0.0015","962.5","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 O3 Si -","- C23 H22 O3 Si -","- C46 H44 O6 Si2 -","2","1","","Bam, Radha; Chalifoux, Wesley A.","One-Pot Domino Friedel-Crafts Acylation/Annulation between Alkynes and 2-Methoxybenzoyl Chlorides: Synthesis of 2,3-Disubstituted Chromen-4-one Derivatives.","The Journal of organic chemistry","2018","83","17","9929","9938","10.1021/acs.joc.8b01357","","","0.71073","MoKα","","0.0699","0.0468","","","0.1213","0.1313","","","","","","1.003","","","","has coordinates","226581","2020-10-21","18:00:00",""
"4035095","9.4113","0.0003","10.0279","0.0003","10.3607","0.0003","72.949","0.001","65.491","0.001","71.933","0.001","830.38","0.04","100","2","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C44 H32 O6 -","2","1","","Bam, Radha; Chalifoux, Wesley A.","One-Pot Domino Friedel-Crafts Acylation/Annulation between Alkynes and 2-Methoxybenzoyl Chlorides: Synthesis of 2,3-Disubstituted Chromen-4-one Derivatives.","The Journal of organic chemistry","2018","83","17","9929","9938","10.1021/acs.joc.8b01357","","","0.71073","MoKα","","0.0551","0.0429","","","0.1133","0.1219","","","","","","1.029","","","","has coordinates","226582","2020-10-21","18:00:00",""
"4035096","6.2666","0.0007","32.998","0.004","8.043","0.0009","90","","90.847","0.002","90","","1663","0.3","100","2","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H17 N O2 Si -","- C19 H17 N O2 Si -","- C76 H68 N4 O8 Si4 -","4","1","","Bam, Radha; Chalifoux, Wesley A.","One-Pot Domino Friedel-Crafts Acylation/Annulation between Alkynes and 2-Methoxybenzoyl Chlorides: Synthesis of 2,3-Disubstituted Chromen-4-one Derivatives.","The Journal of organic chemistry","2018","83","17","9929","9938","10.1021/acs.joc.8b01357","","","0.71073","MoKα","","0.046","0.0394","","","0.0871","0.09","","","","","","1.019","","","","has coordinates","226583","2020-10-21","18:00:00",""
"4035097","5.777","0.0001","16.7111","0.0004","17.372","0.0004","90","","90","","90","","1677.09","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Zhao, Guang-Zhen; Foster, Daven; Sipos, Gellért; Gao, Pengchao; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","Electronic and Steric Tuning of an Atropisomeric Disulfoxide Ligand Motif and Its Use in the Rh(I)-Catalyzed Addition Reactions of Boronic Acids to a Wide Range of Acceptors.","The Journal of organic chemistry","2018","83","17","9741","9755","10.1021/acs.joc.8b01269","","","1.54178","CuKα","","0.0522","0.0387","","","0.0936","0.1019","","","","","","1","","","","has coordinates","226584","2020-10-21","18:00:00",""
"4035098","12.6789","0.0002","15.7548","0.0003","27.245","0.0003","90","","90","","90","","5442.29","0.15","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H44 Cl6 F4 O4 Rh2 S4 -","- C54 H44 Cl6 F4 O4 Rh2 S4 -","- C216 H176 Cl24 F16 O16 Rh8 S16 -","4","1","","Zhao, Guang-Zhen; Foster, Daven; Sipos, Gellért; Gao, Pengchao; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","Electronic and Steric Tuning of an Atropisomeric Disulfoxide Ligand Motif and Its Use in the Rh(I)-Catalyzed Addition Reactions of Boronic Acids to a Wide Range of Acceptors.","The Journal of organic chemistry","2018","83","17","9741","9755","10.1021/acs.joc.8b01269","","x-ray","1.54178","CuKα","","0.0371","0.0314","","","0.0724","0.0763","","","","","","1.044","","","","has coordinates","226585","2020-10-21","18:00:00",""
"4035099","7.9914","0.0007","15.5578","0.0013","18.6615","0.0015","90","","94.926","0.001","90","","2311.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl F2 O3 S -","- C26 H21 Cl F2 O3 S -","- C104 H84 Cl4 F8 O12 S4 -","4","1","","Zhu, Yi-Long; Zhu, Chi-Fan; Zhou, Peng; Hao, Wen-Juan; Wang, De-Cai; Tu, Shu-Jiang; Jiang, Bo","Pd(II)-Catalyzed Carbonyl-Directing Activation of Alkenes: Selective Fluorosulfonylation and Aminosulfonylation of 1,7-Enynes.","The Journal of organic chemistry","2018","83","17","9641","9653","10.1021/acs.joc.8b00994","","","0.71073","MoKα","","0.0935","0.0493","","","0.1113","0.1308","","","","","","1.014","","","","has coordinates","226586","2020-10-21","18:00:00",""
"4035100","13.6597","0.0013","23.06","0.002","12.208","0.0012","90","","111.881","0.003","90","","3568.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 F N O8 S3 -","- C39 H34 F N O8 S3 -","- C156 H136 F4 N4 O32 S12 -","4","1","","Zhu, Yi-Long; Zhu, Chi-Fan; Zhou, Peng; Hao, Wen-Juan; Wang, De-Cai; Tu, Shu-Jiang; Jiang, Bo","Pd(II)-Catalyzed Carbonyl-Directing Activation of Alkenes: Selective Fluorosulfonylation and Aminosulfonylation of 1,7-Enynes.","The Journal of organic chemistry","2018","83","17","9641","9653","10.1021/acs.joc.8b00994","","","0.71073","MoKα","","0.1141","0.0519","","","0.1182","0.1453","","","","","","1.012","","","","has coordinates","226588","2020-10-21","18:00:00",""
"4035101","5.3809","0.0002","9.3938","0.0003","20.0221","0.0006","90","","90","","90","","1012.06","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F2 N2 O5 -","- C9 H10 F2 N2 O5 -","- C36 H40 F8 N8 O20 -","4","1","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.34139","GaKα","","0.0295","0.0266","","","0.064","0.0648","","","","","","1.057","","","","has coordinates","226589","2020-10-21","18:00:00",""
"4035102","30.0065","0.0015","6.5012","0.0003","13.4207","0.0007","90","","108.954","0.001","90","","2476.1","0.2","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H15 F N2 O7 -","- C10 H15 F N2 O7 -","- C80 H120 F8 N16 O56 -","8","2","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.34139","GaKα","","0.0451","0.0449","","","0.1283","0.1285","","","","","","1.159","","","","has coordinates","226590","2020-10-21","18:00:00",""
"4035103","6.6418","0.0002","9.5458","0.0002","21.8207","0.0005","90","","90","","90","","1383.46","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.54178","CuKα","","0.0319","0.0317","","","0.0877","0.088","","","","","","1.053","","","","has coordinates","226591","2020-10-21","18:00:00",""
"4035104","5.9682","0.0002","7.005","0.0002","13.9039","0.0005","95.289","0.001","93.695","0.001","91.165","0.001","577.4","0.03","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 F N2 O6 -","- C10 H13 F N2 O6 -","- C20 H26 F2 N4 O12 -","2","2","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.34139","GaKα","","0.0282","0.0279","","","0.0726","0.0728","","","","","","1.047","","","","has coordinates","226592","2020-10-21","18:00:00",""
"4035105","7.5688","0.0006","16.8412","0.0015","9.6681","0.0008","90","","90","","90","","1232.37","0.18","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","yazh-K131","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","1","","Pillaiyar, Thanigaimalai; Gorska, Ewelina; Schnakenburg, Gregor; Müller, Christa E","General Synthesis of Unsymmetrical 3,3'-(Aza)diindolylmethane Derivatives.","The Journal of organic chemistry","2018","83","17","9902","9913","10.1021/acs.joc.8b01349","","x-ray","1.54178","CuKα","","0.0859","0.0752","","","0.2023","0.213","","","","","","1.111","","","","has coordinates","226593","2020-10-21","18:00:00",""
"4035106","17.8369","0.0004","7.1622","0.0002","23.2165","0.0005","90","","108.186","0.0009","90","","2817.78","0.12","100","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","yazh-121D","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C136 H120 N24 O8 -","8","2","","Pillaiyar, Thanigaimalai; Gorska, Ewelina; Schnakenburg, Gregor; Müller, Christa E","General Synthesis of Unsymmetrical 3,3'-(Aza)diindolylmethane Derivatives.","The Journal of organic chemistry","2018","83","17","9902","9913","10.1021/acs.joc.8b01349","","x-ray","1.54178","CuKα","","0.0455","0.0408","","","0.0993","0.1025","","","","","","1.053","","","","has coordinates","226593","2020-10-21","18:00:00",""
"4035107","22.6168","0.0009","7.8822","0.0003","7.0176","0.0003","90","","90.1627","0.0017","90","","1251.02","0.09","100","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","YAZU-K333","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","1","","Pillaiyar, Thanigaimalai; Gorska, Ewelina; Schnakenburg, Gregor; Müller, Christa E","General Synthesis of Unsymmetrical 3,3'-(Aza)diindolylmethane Derivatives.","The Journal of organic chemistry","2018","83","17","9902","9913","10.1021/acs.joc.8b01349","","x-ray","1.54178","CuKα","","0.0444","0.0424","","","0.1065","0.1084","","","","","","1.087","","","","has coordinates","226593","2020-10-21","18:00:00",""
"4035108","10.9512","0.0005","11.7033","0.0006","17.3015","0.0009","78.412","0.002","74.5815","0.0018","73.6581","0.0018","2032.14","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H42 N6 O4 -","- C51 H42 N6 O4 -","- C102 H84 N12 O8 -","2","1","","Luciano, Michael P.; Akhigbe, Joshua; Ding, Jiaming; Thuita, Damaris; Hamchand, Randy; Zeller, Matthias; Brückner, Christian","An Alternate Route of Transforming meso-Tetraarylporphyrins to Porpholactams, and Their Conversion to Amine-Functionalized Imidazoloporphyrins.","The Journal of organic chemistry","2018","83","17","9619","9630","10.1021/acs.joc.8b00790","","","0.71073","MoKα","","0.0733","0.0541","","","0.1159","0.1324","","","","","","1.036","","","","has coordinates,has disorder","226594","2020-10-21","18:00:00",""
"4035109","9.5189","0.0007","13.8293","0.0009","20.6264","0.0014","97.419","0.003","102.316","0.003","109.689","0.003","2437.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H50.42 Cl1.58 N8 O2.21 -","- C58 H50.424 Cl1.576 N8 O2.212 -","- C116 H100.848 Cl3.152 N16 O4.424 -","2","1","","Luciano, Michael P.; Akhigbe, Joshua; Ding, Jiaming; Thuita, Damaris; Hamchand, Randy; Zeller, Matthias; Brückner, Christian","An Alternate Route of Transforming meso-Tetraarylporphyrins to Porpholactams, and Their Conversion to Amine-Functionalized Imidazoloporphyrins.","The Journal of organic chemistry","2018","83","17","9619","9630","10.1021/acs.joc.8b00790","","","1.54178","CuKα","","0.0865","0.0725","","","0.1829","0.1914","","","","","","1.037","","","","has coordinates,has disorder","226595","2020-10-21","18:00:00",""
"4035110","12.0586","0.0006","6.1772","0.0003","20.5745","0.001","90","","102.608","0.0007","90","","1495.6","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Bartolo, Nicole D.; Woerpel, K. A.","Mechanistic Insight into Additions of Allylic Grignard Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2018","83","17","10197","10206","10.1021/acs.joc.8b01430","","","0.71073","MoKα","","0.0452","0.0402","","","0.1054","0.1095","","","","","","1.036","","","","has coordinates","226596","2020-10-21","18:00:00",""
"4035111","16.0527","0.0009","8.4274","0.0004","5.919","0.0003","90","","90","","90","","800.74","0.07","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","","Pilevar, Afsaneh; Hosseini, Abolfazl; Šekutor, Marina; Hausmann, Heike; Becker, Jonathan; Turke, Kevin; Schreiner, Peter R.","Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation.","The Journal of organic chemistry","2018","83","17","10070","10079","10.1021/acs.joc.8b01392","","","1.54178","CuKα","","0.0413","0.0411","","","0.1038","0.1041","","","","","","1.076","","","","has coordinates","226597","2020-10-21","18:00:00",""
"4035112","11.3565","0.0002","11.3565","0.0002","9.147","0.0002","90","","90","","120","","1021.64","0.03","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C48 H54 O9 -","3","0.5","","Pilevar, Afsaneh; Hosseini, Abolfazl; Šekutor, Marina; Hausmann, Heike; Becker, Jonathan; Turke, Kevin; Schreiner, Peter R.","Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation.","The Journal of organic chemistry","2018","83","17","10070","10079","10.1021/acs.joc.8b01392","","","1.54178","CuKα","","0.0299","0.0298","","","0.0779","0.078","","","","","","1.091","","","","has coordinates","226598","2020-10-21","18:00:00",""
"4035113","8.4084","0.0008","13.5716","0.0013","15.4024","0.0017","90","","90","","90","","1757.7","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 F N O2 S -","- C19 H20 F N O2 S -","- C76 H80 F4 N4 O8 S4 -","4","1","","Zhou, Wen; Zhang, Yan-Xue; Nie, Xiao-Di; Si, Chang-Mei; Sun, Xun; Wei, Bang-Guo","Approach to Chiral 1-Substituted Isoquinolone and 3-Substituted Isoindolin-1-one by Addition-Cyclization Process.","The Journal of organic chemistry","2018","83","17","9879","9889","10.1021/acs.joc.8b01282","","","0.71073","MoKα","","0.0669","0.0447","","","0.0883","0.1008","","","","","","1.04","","","","has coordinates","226599","2020-10-21","18:00:00",""
"4035114","10.9996","0.0005","44.458","0.002","11.2795","0.0005","90","","108.675","0.002","90","","5225.5","0.4","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C208 H200 N8 O32 S8 -","8","4","","Zhou, Wen; Zhang, Yan-Xue; Nie, Xiao-Di; Si, Chang-Mei; Sun, Xun; Wei, Bang-Guo","Approach to Chiral 1-Substituted Isoquinolone and 3-Substituted Isoindolin-1-one by Addition-Cyclization Process.","The Journal of organic chemistry","2018","83","17","9879","9889","10.1021/acs.joc.8b01282","","","0.71073","MoKα","","0.0575","0.0491","","","0.1299","0.1369","","","","","","1.033","","","","has coordinates","226600","2020-10-21","18:00:00",""
"4035115","11.96003","0.00019","17.9032","0.0002","28.5501","0.0004","90","","90","","90","","6113.23","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H79 Cl3 N6 O5 -","- C62 H79 Cl3 N6 O5 -","- C248 H316 Cl12 N24 O20 -","4","1","","Liu, Zhi-Wen; Zhang, Jian; Li, Song-Tao; Liu, Ming-Qun; Huang, Xiao-Jun; Ao, Yun-Lin; Fan, Chun-Lin; Zhang, Dong-Mei; Zhang, Qing-Wen; Ye, Wen-Cai; Zhang, Xiao-Qi","Ervadivamines A and B, Two Unusual Trimeric Monoterpenoid Indole Alkaloids from Ervatamia divaricata.","The Journal of organic chemistry","2018","83","17","10613","10618","10.1021/acs.joc.8b01371","","","1.54184","CuKα","","0.0747","0.0709","","","0.21","0.2162","","","","","","1.011","","","","has coordinates","226601","2020-10-21","18:00:00",""
"4035116","12.6557","0.0002","17.4453","0.0003","29.2029","0.0005","90","","90","","90","","6447.49","0.19","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 N6 O5 -","- C62 H78 N6 O5 -","- C248 H312 N24 O20 -","4","1","","Liu, Zhi-Wen; Zhang, Jian; Li, Song-Tao; Liu, Ming-Qun; Huang, Xiao-Jun; Ao, Yun-Lin; Fan, Chun-Lin; Zhang, Dong-Mei; Zhang, Qing-Wen; Ye, Wen-Cai; Zhang, Xiao-Qi","Ervadivamines A and B, Two Unusual Trimeric Monoterpenoid Indole Alkaloids from Ervatamia divaricata.","The Journal of organic chemistry","2018","83","17","10613","10618","10.1021/acs.joc.8b01371","","","1.54184","CuKα","","0.0461","0.0423","","","0.1084","0.1116","","","","","","1.029","","","","has coordinates","226602","2020-10-21","18:00:00",""
"4035117","12.3901","0.0015","12.9753","0.0015","15.7398","0.0015","81.13","0.003","81.169","0.003","66.314","0.004","2277.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 F6 N4 O0 -","- C52 H42 F6 N4 -","- C104 H84 F12 N8 -","2","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","","0.71073","MoKα","","0.1667","0.0897","","","0.2694","0.3493","","","","","","1.057","","","","has coordinates","226603","2020-10-21","18:00:00",""
"4035118","13.8214","0.0002","16.8165","0.0002","16.3527","0.0003","90","","109.358","0.002","90","","3585.94","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 F6 N4 -","- C46 H30 F6 N4 -","- C184 H120 F24 N16 -","4","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","x-ray","1.54184","CuKα","","0.0464","0.042","","","0.1086","0.1129","","","","","","1.033","","","","has coordinates","226604","2020-10-21","18:00:00",""
"4035119","13.906","0.0002","16.6094","0.0002","16.5593","0.0002","90","","108.176","0.002","90","","3633.86","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 F6 N4 O2 -","- C46 H30 F6 N4 O2 -","- C184 H120 F24 N16 O8 -","4","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","x-ray","1.54184","CuKα","","0.0522","0.0439","","","0.1161","0.1248","","","","","","1.026","","","","has coordinates","226605","2020-10-21","18:00:00",""
"4035120","13.808","0.003","16.82","0.003","16.316","0.003","90","","108.35","0.03","90","","3596.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 F8 N4 -","- C44 H24 F8 N4 -","- C176 H96 F32 N16 -","4","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","","0.71073","MoKα","","0.096","0.066","","","0.2112","0.2351","","","","","","1.071","","","","has coordinates","226606","2020-10-21","18:00:00",""
"4035121","12.82","0.005","6.017","0.001","14.764","0.005","90","","104.3","0.03","90","","1103.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 B N -","- C11 H18 B N -","- C44 H72 B4 N4 -","4","1","","Andresini, Michael; De Angelis, Sonia; Uricchio, Antonella; Visaggio, Angelica; Romanazzi, Giuseppe; Ciriaco, Fulvio; Corriero, Nicola; Degennaro, Leonardo; Luisi, Renzo","Azetidine-Borane Complexes: Synthesis, Reactivity, and Stereoselective Functionalization.","The Journal of organic chemistry","2018","83","17","10221","10230","10.1021/acs.joc.8b01441","","","0.71073","MoKα","","0.1045","0.0701","","","0.1986","0.2311","","","","","","1.004","","","","has coordinates","226607","2020-10-21","18:00:00",""
"4035122","8.7597","0.0005","10.678","0.0006","11.1484","0.0007","94.022","0.002","98.197","0.002","113.638","0.002","936.16","0.1","180","2","180.45","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F3 O5 S -","- C21 H16 F3 O5 S -","- C42 H32 F6 O10 S2 -","2","1","","Dmytrejchuk, Ana M.; Jackson, Sydney N.; Meudom, Rolande; Gorden, John D.; Merner, Bradley L.","Regioselective Synthesis of Unsymmetric Tetra- and Pentasubstituted Pyrenes with a Strategy for Primary C-Alkylation at the 2-Position.","The Journal of organic chemistry","2018","83","17","10660","10667","10.1021/acs.joc.8b01491","","","0.71073","MoKα","","0.0895","0.0819","","","0.2095","0.217","","","","","","1.0486","","","","has coordinates","226608","2020-10-21","18:00:00",""
"4035123","13.2455","0.001","13.4892","0.0009","16.3343","0.0013","101.966","0.005","106.648","0.004","108.546","0.004","2503.7","0.4","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C76 H40 O9 -","- C76 H40 O9.001 -","- C152 H80 O18.002 -","2","1","","Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi","Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric Fullerene Derivatives.","The Journal of organic chemistry","2018","83","17","10655","10659","10.1021/acs.joc.8b01485","","","1.54178","CuKα","","0.1352","0.094","","","0.3256","0.3533","","","","","","1.06","","","","has coordinates,has disorder","226609","2020-10-21","18:00:00",""
"4035124","11.8424","0.0003","11.8424","0.0003","23.682","0.0007","90","","90","","120","","2876.26","0.13","120","0.2","120","0.2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C68 H24 O8 -","- C68 H24 O8 -","- C204 H72 O24 -","3","0.5","","Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi","Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric Fullerene Derivatives.","The Journal of organic chemistry","2018","83","17","10655","10659","10.1021/acs.joc.8b01485","","","1.54178","CuKα","","0.0502","0.0389","","","0.0823","0.0858","","","","","","1.064","","","","has coordinates","226610","2020-10-21","18:00:00",""
"4035125","18.782","0.002","17.2873","0.0018","19.209","0.002","90","","90.113","0.002","90","","6237","1.1","100","2","99.98","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C58 H106 N6 O11 -","- C58 H104 N6 O10.9999 -","- C232 H416 N24 O43.9996 -","4","1","","Gillen, Dermot M.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Solution-State Anion Recognition, and Structural Studies, of a Series of Electron-Rich meta-Phenylene Bis(phenylurea) Receptors and Their Self-Assembled Structures.","The Journal of organic chemistry","2018","83","17","10398","10408","10.1021/acs.joc.8b01481","","","0.71073","MoKα","","0.1363","0.072","","","0.1718","0.2018","","","","","","1.015","","","","has coordinates,has disorder","226611","2020-10-21","18:00:00",""
"4035126","22.011","0.0007","22.011","0.0007","42.9761","0.0014","90","","90","","120","","18031.7","1","100","2","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C229 H355 Cl3 N30 O40 P4 -","- C229 H355 Cl3 N30 O40 P4 -","- C687 H1065 Cl9 N90 O120 P12 -","3","0.166667","","Gillen, Dermot M.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Solution-State Anion Recognition, and Structural Studies, of a Series of Electron-Rich meta-Phenylene Bis(phenylurea) Receptors and Their Self-Assembled Structures.","The Journal of organic chemistry","2018","83","17","10398","10408","10.1021/acs.joc.8b01481","","","0.71073","MoKα","","0.0792","0.055","","","0.1422","0.1612","","","","","","1.043","","","","has coordinates,has disorder","226611","2020-10-21","18:00:00",""
"4035127","6.84078","0.00007","17.53746","0.00016","23.1555","0.0003","90","","93.7583","0.001","90","","2771.99","0.05","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 B2 F0.25 N4 O4 S0.25 Si -","- C30 H28 B2 F4 N4 S -","- C120 H112 B8 F16 N16 S4 -","4","1","","Arroyo-Córdoba, Ismael J; Sola-Llano, Rebeca; Epelde-Elezcano, Nerea; Arbeloa, Iñigo López; Martínez-Martínez, Virginia; Peña-Cabrera, Eduardo","Fully Functionalizable β,β'-BODIPY Dimer: Synthesis, Structure, and Photophysical Signatures.","The Journal of organic chemistry","2018","83","17","10186","10196","10.1021/acs.joc.8b01429","","","1.54184","CuKα","","0.0398","0.0372","","","0.1006","0.1032","","","","","","1.043","","","","has coordinates","226612","2020-10-21","18:00:00",""
"4035128","14.3105","0.0006","18.8797","0.0008","24.8734","0.0011","90","","90","","90","","6720.2","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C43 H42 O -","- C43 H42 O -","- C344 H336 O8 -","8","1","","Jadhav, Abhijeet S.; Pankhade, Yogesh A.; Hazra, Raju; Anand, Ramasamy Vijaya","1,6-Hydroolefination and Cascade Cyclization of p-Quinone Methides with Styrenes: Total Synthesis of (±)-Isopaucifloral F.","The Journal of organic chemistry","2018","83","17","10107","10119","10.1021/acs.joc.8b01401","","x-ray","0.71073","MoKα","","0.0575","0.0445","","","0.1128","0.1299","","","","","","1.065","","","","has coordinates","226613","2020-10-21","18:00:00",""
"4035129","4.873","","13.275","","17.609","","100","","90.58","","91.12","","1121.48","","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O S -","- C13 H9 N3 O S -","- C52 H36 N12 O4 S4 -","4","2","","Nguyen, Yen H.; Lampkin, Bryan J.; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; VanVeller, Brett","Open-Resonance-Assisted Hydrogen Bonds and Competing Quasiaromaticity.","The Journal of organic chemistry","2018","83","17","9850","9857","10.1021/acs.joc.8b01331","","","1.54178","CuKα","","0.0677","0.0447","","","0.1326","0.1515","","","","","","1.238","","","","has coordinates","226614","2020-10-21","18:00:00",""
"4035130","7.2678","0.0008","24.682","0.003","6.803","0.0009","90","","102.275","0.009","90","","1192.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C60 H44 N12 O4 -","4","1","","Nguyen, Yen H.; Lampkin, Bryan J.; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; VanVeller, Brett","Open-Resonance-Assisted Hydrogen Bonds and Competing Quasiaromaticity.","The Journal of organic chemistry","2018","83","17","9850","9857","10.1021/acs.joc.8b01331","","","1.54178","CuKα","","0.0549","0.0406","","","0.1062","0.1294","","","","","","0.557","","","","has coordinates","226615","2020-10-21","18:00:00",""
"4035131","10.0592","0.0006","19.9716","0.0009","9.5035","0.0005","90","","117.478","0.007","90","","1693.85","0.19","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N O2 -","- C22 H18 N O2 -","- C88 H72 N4 O8 -","4","1","","Xu, Zhong-Qi; Wang, Chao; Li, Lin; Duan, Lili; Li, Yue-Ming","Construction of 3,4-Dihydroisoquinolinones and Indanones via DTBP-Promoted Oxidative Coupling of N-Allylbenzamides with Aromatic Aldehydes.","The Journal of organic chemistry","2018","83","17","9718","9728","10.1021/acs.joc.8b01242","","x-ray","1.54184","CuKα","","0.0688","0.0638","","","0.1785","0.1847","","","","","","1.062","","","","has coordinates","226616","2020-10-21","18:00:00",""
"4035132","12.4405","0.0003","7.186","0.0001","18.7293","0.0004","90","","97.191","0.002","90","","1661.18","0.06","99.98","0.11","99.98","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Xu, Zhong-Qi; Wang, Chao; Li, Lin; Duan, Lili; Li, Yue-Ming","Construction of 3,4-Dihydroisoquinolinones and Indanones via DTBP-Promoted Oxidative Coupling of N-Allylbenzamides with Aromatic Aldehydes.","The Journal of organic chemistry","2018","83","17","9718","9728","10.1021/acs.joc.8b01242","","x-ray","1.54178","CuKα","","0.0521","0.0502","","","0.1315","0.1327","","","","","","1.073","","","","has coordinates","226617","2020-10-21","18:00:00",""
"4035133","9.8225","0.0003","13.8254","0.0005","15.3324","0.0005","90","","90","","90","","2082.14","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C88 H100 N4 O8 S8 -","4","1","","Niu, Sheng-Tong; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Sulfenylation of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","17","10580","10588","10.1021/acs.joc.8b01403","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0693","0.0717","","","","","","1.009","","","","has coordinates","226618","2020-10-21","18:00:00",""
"4035134","19.982","0.001","7.7011","0.0004","13.3717","0.0006","90","","99.959","0.004","90","","2026.68","0.17","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H25 N O3 S2 -","- C20 H25 N O3 S2 -","- C80 H100 N4 O12 S8 -","4","1","","Niu, Sheng-Tong; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Sulfenylation of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","17","10580","10588","10.1021/acs.joc.8b01403","","x-ray","0.71073","MoKα","","0.027","0.026","","","0.062","0.0625","","","","","","1.05","","","","has coordinates","226619","2020-10-21","18:00:00",""
"4035135","10.7835","0.0003","24.3459","0.0005","11.838","0.0003","90","","115.986","0.004","90","","2793.67","0.15","294.7","0.5","294.7","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H63.97 O12 -","- C68 H64 O12 -","- C136 H128 O24 -","2","1","","Zhang, Jianlin; Liu, Xiaohua; Guo, Songsong; He, Changqiang; Xiao, Wanlong; Lin, Lili; Feng, Xiaoming","Enantioselective Formal [4 + 2] Annulation of ortho-Quinone Methides with ortho-Hydroxyphenyl α,β-Unsaturated Compounds.","The Journal of organic chemistry","2018","83","17","10175","10185","10.1021/acs.joc.8b01425","","x-ray","1.54184","CuKα","","0.0723","0.0679","","","0.1837","0.1933","","","","","","1.029","","","","has coordinates,has disorder","226620","2020-10-21","18:00:00",""
"4035136","10.8962","0.0004","16.0389","0.0004","11.6123","0.0003","90","","104.434","0.003","90","","1965.34","0.1","295.77","0.11","295.77","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C96 H80 O24 -","4","2","","Zhang, Jianlin; Liu, Xiaohua; Guo, Songsong; He, Changqiang; Xiao, Wanlong; Lin, Lili; Feng, Xiaoming","Enantioselective Formal [4 + 2] Annulation of ortho-Quinone Methides with ortho-Hydroxyphenyl α,β-Unsaturated Compounds.","The Journal of organic chemistry","2018","83","17","10175","10185","10.1021/acs.joc.8b01425","","x-ray","1.54184","CuKα","","0.0539","0.0511","","","0.1334","0.1377","","","","","","1.026","","","","has coordinates","226621","2020-10-21","18:00:00",""
"4035137","14.5703","0.0004","8.1574","0.0003","14.7938","0.0005","90","","104.598","0.003","90","","1701.57","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl O3 -","- C19 H19 Cl O3 -","- C76 H76 Cl4 O12 -","4","1","","Chai, Yonghai; Zhou, JinJin; Wu, Yanbin; Feng, Yingle; Wang, Panru; Chen, Yange; Wang, Xinying; Zhao, Beibei; Zhang, Qi","Organo-Catalyzed Regio- and Geometry-Specific Construction of β-Hydroxyl-α-vinyl Carboxylic Esters: Substrate Scope, Mechanistic Insights, and Applications.","The Journal of organic chemistry","2018","83","17","10476","10486","10.1021/acs.joc.8b01510","","","1.54178","CuKα","","0.0602","0.0489","","","0.126","0.1371","","","","","","1.06","","","","has coordinates","226622","2020-10-21","18:00:00",""
"4035138","17.1424","0.0004","5.80416","0.00017","17.8991","0.0004","90","","104.562","0.002","90","","1723.7","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","Chai, Yonghai; Zhou, JinJin; Wu, Yanbin; Feng, Yingle; Wang, Panru; Chen, Yange; Wang, Xinying; Zhao, Beibei; Zhang, Qi","Organo-Catalyzed Regio- and Geometry-Specific Construction of β-Hydroxyl-α-vinyl Carboxylic Esters: Substrate Scope, Mechanistic Insights, and Applications.","The Journal of organic chemistry","2018","83","17","10476","10486","10.1021/acs.joc.8b01510","","","1.54184","CuKα","","0.0432","0.037","","","0.1004","0.1059","","","","","","1.04","","","","has coordinates","226623","2020-10-21","18:00:00",""
"4035139","7.7647","0.0007","11.6418","0.0009","23.985","0.002","90","","90","","90","","2168.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O7 -","- C22 H26 N2 O7 -","- C88 H104 N8 O28 -","4","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","0.71073","MoKα","","0.05","0.0423","","","0.1097","0.1154","","","","","","1.062","","","","has coordinates","226624","2020-10-21","18:00:00",""
"4035140","6.8209","0.0007","8.7627","0.001","18.8032","0.0019","90","","99.61","0.004","90","","1108.1","0.2","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N0 O7 -","- C23 H28 O7 -","- C46 H56 O14 -","2","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","0.71073","MoKα","","0.0888","0.0626","","","0.1509","0.1668","","","","","","1.017","","","","has coordinates","226625","2020-10-21","18:00:00",""
"4035141","10.4407","0.0005","13.4314","0.0004","16.6407","0.0007","90","","90","","90","","2333.58","0.16","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 O6 -","- C24 H30 O6 -","- C96 H120 O24 -","4","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","1.54184","CuKα","","0.0594","0.0461","","","0.1071","0.1182","","","","","","1.046","","","","has coordinates","226626","2020-10-21","18:00:00",""
"4035142","10.666","0.0004","18.7662","0.0007","12.2143","0.0004","90","","112.318","0.001","90","","2261.68","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O7 -","- C24 H29 N O7 -","- C96 H116 N4 O28 -","4","1","","Modugu, Nagi Reddy; Mehta, Goverdhan","Synthesis of the Polyoxygenated Cyclohexanoid Core of Bioactive Glycosides Xylosmin and Flacourtosides E and F.","The Journal of organic chemistry","2018","83","17","10573","10579","10.1021/acs.joc.8b01389","","","0.71073","MoKα","","0.089","0.0547","","","0.1282","0.145","","","","","","1.017","","","","has coordinates","226627","2020-10-21","18:00:00",""
"4035143","16.9246","0.0007","7.3318","0.0003","12.7929","0.0006","90","","108.147","0.002","90","","1508.48","0.11","101","2","101","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Marshal Law/Mitchell ether from acetone","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0385","0.0343","","","0.0839","0.0872","","","","","","1.036","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035144","18.5504","0.0009","8.0039","0.0004","11.6981","0.0006","90","","96.643","0.003","90","","1725.22","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Zwick/Mitchell II-2 f7-11","","","- C17 H28 O3 Si -","- C17 H28 O3 Si -","- C68 H112 O12 Si4 -","4","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0619","0.0419","","","0.0893","0.0953","","","","","","1.035","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035145","7.0888","0.0003","8.1527","0.0003","18.2143","0.0008","85.311","0.003","81.831","0.003","67.988","0.003","965.56","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Zwick/TAM II-4 f8-13","","","- C18 H30 O5 Si -","- C18 H30 O5 Si -","- C36 H60 O10 Si2 -","2","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.049","0.0383","","","0.1023","0.1085","","","","","","1.089","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035146","8.392","0.002","19.953","0.006","10.911","0.003","90","","94.638","0.005","90","","1821","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Law/Mitchell CML-II-66","","","- C10 H12 O5 -","- C10 H12 O5 -","- C80 H96 O40 -","8","2","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0526","0.0383","","","0.0869","0.0943","","","","","","1.026","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035147","17.855","0.003","7.9583","0.0015","18.76","0.003","90","","90","","90","","2665.7","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","CML-II-141 from acetone","","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0442","0.0358","","","0.088","0.0934","","","","","","1.032","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035148","7.6447","0.0003","10.7486","0.0003","16.9041","0.0005","90","","99.104","0.002","90","","1371.51","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","CML-II-142","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0438","0.0356","","","0.0829","0.0881","","","","","","1.02","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035149","16.181","0.006","4.436","0.0011","15.689","0.004","90","","110.85","0.03","90","","1052.4","0.6","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N O -","- C14 H10 N O -","- C56 H40 N4 O4 -","4","1","","Banik, Ananya; Paira, Rupankar; Shaw, Bikash Kumar; Vijaykumar, Gonela; Mandal, Swadhin K.","Accessing Heterobiaryls through Transition-Metal-Free C-H Functionalization.","The Journal of organic chemistry","2018","83","6","3236","3244","10.1021/acs.joc.8b00140","","x-ray","0.71073","MoKα","","0.1802","0.0887","","","0.2296","0.3376","","","","","","0.7747","","","","has coordinates","226629","2020-10-21","18:00:00",""
"4035150","5.7105","0.0001","16.0865","0.0003","21.9222","0.0004","90","","90","","90","","2013.82","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 S -","- C22 H24 O4 S -","- C88 H96 O16 S4 -","4","1","","Fulton, Jennifer L.; Horwitz, Matthew A.; Bruske, Ericka L.; Johnson, Jeffrey S.","Asymmetric Organocatalytic Sulfa-Michael Addition to Enone Diesters.","The Journal of organic chemistry","2018","83","6","3385","3391","10.1021/acs.joc.8b00007","","","1.54178","CuKα","","0.0332","0.0297","","","0.073","0.0754","","","","","","1.04","","","","has coordinates","226630","2020-10-21","18:00:00",""
"4035151","8.1778","0.0014","19.099","0.003","11.0352","0.0019","90","","110.571","0.0019","90","","1613.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 I2 P S3 -","- C14 H7 I2 P S3 -","- C56 H28 I8 P4 S12 -","4","1","","Higashino, Tomohiro; Ishida, Keiichi; Satoh, Takaharu; Matano, Yoshihiro; Imahori, Hiroshi","Phosphole-Thiophene Hybrid: A Dual Role of Dithieno[3,4- b:3',4'- d]phosphole as Electron Acceptor and Electron Donor.","The Journal of organic chemistry","2018","83","6","3397","3402","10.1021/acs.joc.8b00030","","","0.7107","MoKα","","0.0228","0.0189","","","0.0395","0.04","","","","","","1.016","","","","has coordinates","226631","2020-10-21","18:00:00",""
"4035152","12.2856","0.0004","23.0002","0.0006","13.9552","0.0004","90","","101.088","0.002","90","","3869.7","0.2","111","2","111","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25.5 H19 F4 O0.5 -","- C25.5 H19 F4 O0.5 -","- C204 H152 F32 O4 -","8","2","","Shen, Bin; Geiger, Thomas; Einholz, Ralf; Reicherter, Florian; Schundelmeier, Simon; Maichle-Mössmer, Cäcilia; Speiser, Bernd; Bettinger, Holger F.","Bridging the Gap between Pentacene and Perfluoropentacene: Synthesis and Characterization of 2,3,9,10-Tetrafluoropentacene in the Neutral, Cationic, and Dicationic States.","The Journal of organic chemistry","2018","83","6","3149","3158","10.1021/acs.joc.7b03241","","","0.71073","MoKα","","0.067","0.047","","","0.0968","0.1074","","","","","","0.934","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035153","9.9808","0.0003","9.9808","0.0003","9.5853","0.0003","90","","90","","120","","826.93","0.04","100","0.1","100","0.1","","","","","","","","5","P 31","P 31","144","","","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C33 H36 Cl3 N3 O6 -","3","1","","Bisz, Elwira; Piontek, Aleksandara; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides: Effect of Chloro-Substitution on Resonance and Distortion.","The Journal of organic chemistry","2018","83","6","3159","3163","10.1021/acs.joc.8b00019","","","0.71073","MoKα","","0.0303","0.0281","","","0.067","0.0678","","","","","","1.089","","","","has coordinates,has disorder","226633","2020-10-21","18:00:00",""
"4035154","10.4408","0.0007","7.517","0.0006","14.8019","0.0011","90","","110.65","","90","","1087.07","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C44 H48 Cl4 N4 O8 -","4","1","","Bisz, Elwira; Piontek, Aleksandara; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides: Effect of Chloro-Substitution on Resonance and Distortion.","The Journal of organic chemistry","2018","83","6","3159","3163","10.1021/acs.joc.8b00019","","","0.71073","MoKα","","0.0581","0.0487","","","0.1312","0.1353","","","","","","1.069","","","","has coordinates","226634","2020-10-21","18:00:00",""
"4035155","7.4007","0.0007","21.7382","0.0018","7.488","0.0009","90","","105.323","0.012","90","","1161.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl2 N O2 -","- C11 H11 Cl2 N O2 -","- C44 H44 Cl8 N4 O8 -","4","1","","Bisz, Elwira; Piontek, Aleksandara; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides: Effect of Chloro-Substitution on Resonance and Distortion.","The Journal of organic chemistry","2018","83","6","3159","3163","10.1021/acs.joc.8b00019","","","0.71073","MoKα","","0.0362","0.0322","","","0.0879","0.0899","","","","","","1.07","","","","has coordinates","226635","2020-10-21","18:00:00",""
"4035156","9.3307","0.0006","13.3778","0.0009","15.3562","0.001","90","","90","","90","","1916.8","0.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N Se -","- C23 H25 N Se -","- C92 H100 N4 Se4 -","4","1","","Shibahara, Fumitoshi; Suzuki, Masafumi; Kubota, Saki; Fukunaga, Tomoki; Udagawa, Taro; Murai, Toshiaki","Selenolactams as Synthetic Intermediates for the Synthesis of Polycyclic Amines via Seleno-Claisen Rearrangements.","The Journal of organic chemistry","2018","83","6","3078","3089","10.1021/acs.joc.8b00306","","","1.54187","CuKα","","0.0293","0.0262","","","0.059","0.0604","","","","","","1.059","","","","has coordinates","226636","2020-10-21","18:00:00",""
"4035157","5.194","0.0002","10.453","0.0005","23.0032","0.0011","90","","90","","90","","1248.91","0.1","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Cl2 N2 O6 -","- C10 H8 Cl2 N2 O6 -","- C40 H32 Cl8 N8 O24 -","4","1","","Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Synthesis of Vicinal Dichlorides via Activation of Aliphatic Terminal Epoxides with Triphosgene and Pyridine.","The Journal of organic chemistry","2018","83","6","3367","3377","10.1021/acs.joc.7b03197","","","0.71073","MoKα","","0.0418","0.0327","","","0.0663","0.0695","","","","","","1.026","","","","has coordinates","226637","2020-10-21","18:00:00",""
"4035158","14.051","0.003","13.168","0.004","25.958","0.007","90","","96.49","0.02","90","","4772","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 B F N2 O2 -","- C15 H18 B F N2 O2 -","- C180 H216 B12 F12 N24 O24 -","12","3","","Levchenko, Vitalina; Dmytriv, Yurii V.; Tymtsunik, Andriy V.; Liubchak, Konstantin; Rudnichenko, Alexander; Melnyk, Anton V.; Veselovych, Stanislav Y.; Borodulin, Yurii V.; Otsalyuk, Oleksandr M.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Preparation of 5-Fluoropyrazoles from Pyrazoles and N-Fluorobenzenesulfonimide (NFSI).","The Journal of organic chemistry","2018","83","6","3265","3274","10.1021/acs.joc.8b00199","","","0.71073","MoKα","","0.2324","0.0797","","","0.179","0.2299","","","","","","0.898","","","","has coordinates","226638","2020-10-21","18:00:00",""
"4035159","8.349","0.003","12.98","0.004","19.618","0.007","99.189","0.016","95.609","0.017","108.607","0.014","1963.7","1.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36.01 H54 N14 O5 -","- C36 H54 N14 O5 -","- C72 H108 N28 O10 -","2","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.0704","0.0654","","","0.1639","0.168","","","","","","1.091","","","","has coordinates,has disorder","226639","2020-10-21","18:00:00",""
"4035160","9.626","0.003","14.735","0.004","20.914","0.006","90","","89.996","0.004","90","","2966.4","1.5","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H62 Cl2 N20 O8 -","- C53 H62 Cl2 N20 O8 -","- C106 H124 Cl4 N40 O16 -","2","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.1111","0.092","","","0.2218","0.2404","","","","","","1.08","","","","has coordinates,has disorder","226640","2020-10-21","18:00:00",""
"4035161","23.38","0.005","15.66","0.003","17.82","0.004","90","","90","","90","","6524","2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H28 Cl2 N10 O6 -","- C28 H28 Cl2 N10 O6 -","- C224 H224 Cl16 N80 O48 -","8","2","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.1089","0.0854","","","0.1744","0.1907","","","","","","1.081","","","","has coordinates","226641","2020-10-21","18:00:00",""
"4035162","20.197","0.004","21.108","0.004","10.26","0.002","90","","90","","90","","4374","1.5","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Cl2 N12 O4 -","- C30 H34 Cl2 N12 O4 -","- C120 H136 Cl8 N48 O16 -","4","0.5","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.0588","0.0587","","","0.1696","0.1696","","","","","","1.138","","","","has coordinates","226642","2020-10-21","18:00:00",""
"4035163","14.1376","0.0005","12.3877","0.0005","18.7603","0.0007","90","","94.69","0.004","90","","3274.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 N11 O7 -","- C30 H37 N11 O7 -","- C120 H148 N44 O28 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","x-ray","1.54184","CuKα","","0.0847","0.0655","","","0.1748","0.1948","","","","","","1.042","","","","has coordinates,has disorder","226643","2020-10-21","18:00:00",""
"4035164","10.26","0.002","10.6085","0.0015","11.2369","0.0017","94.317","0.016","115.917","0.016","115.692","0.014","936.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","methoxyphenyl phenylbenzo selenopheno selenophene","3-(4-methoxyphenyl)-2-phenylbenzo[b]selenopheno[3,2-d]selenophene","","- C23 H16 O Se2 -","- C23 H16 O Se2 -","- C46 H32 O2 Se4 -","2","1","","Martins, Guilherme M.; Back, Davi F.; Kaufman, Teodoro S.; Silveira, Claudio C.","SeCl<sub>2</sub>-Mediated Approach Toward Indole-Containing Polysubstituted Selenophenes.","The Journal of organic chemistry","2018","83","6","3252","3264","10.1021/acs.joc.8b00166","","","1.54178","CuKα","","0.0292","0.029","","","0.0738","0.0739","","","","","","1.119","","","","has coordinates","226644","2020-10-21","18:00:00",""
"4035165","29.657","0.004","8.1546","0.0012","21.065","0.003","90","","129.27","0.004","90","","3943.9","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-(2,4-diphenylselenophen-3-yl)-1-methyl-1H-indole","3-(2,4-diphenylselenophen-3-yl)-1-methyl-1H-indole","","- C25 H17 N Se2 -","- C25 H17 N Se2 -","- C200 H136 N8 Se16 -","8","1","","Martins, Guilherme M.; Back, Davi F.; Kaufman, Teodoro S.; Silveira, Claudio C.","SeCl<sub>2</sub>-Mediated Approach Toward Indole-Containing Polysubstituted Selenophenes.","The Journal of organic chemistry","2018","83","6","3252","3264","10.1021/acs.joc.8b00166","","","0.71073","MoKα","","0.045","0.0304","","","0.0743","0.0802","","","","","","1.029","","","","has coordinates","226645","2020-10-21","18:00:00",""
"4035166","14.8678","0.0006","8.0055","0.0003","11.3689","0.0005","90","","100.528","0.004","90","","1330.39","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","","0.71073","MoKα","","0.0571","0.0432","","","0.0894","0.0958","","","","","","1.036","","","","has coordinates","226646","2020-10-21","18:00:00",""
"4035167","6.6661","0.0003","14.0379","0.0006","10.8986","0.0005","90","","98.965","0.004","90","","1007.41","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O -","- C12 H9 N3 O -","- C48 H36 N12 O4 -","4","1","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","x-ray","1.54184","CuKα","","0.0477","0.0394","","","0.0984","0.1054","","","","","","1.068","","","","has coordinates","226647","2020-10-21","18:00:00",""
"4035168","13.8012","0.0004","14.1127","0.0005","15.8686","0.0006","90.852","0.002","104.066","0.002","103.825","0.002","2902.49","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15.25 H10 I N O1.75 -","- C15.25 H10 I N O1.75 -","- C122 H80 I8 N8 O14 -","8","4","","Brahmchari, Dhirendra; Verma, Akhilesh K.; Mehta, Saurabh","Regio- and Stereoselective Synthesis of Isoindolin-1-ones through BuLi-Mediated Iodoaminocyclization of 2-(1-Alkynyl)benzamides.","The Journal of organic chemistry","2018","83","6","3339","3347","10.1021/acs.joc.7b02903","","","0.71073","MoKα","","0.0838","0.0501","","","0.1282","0.1562","","","","","","1.022","","","","has coordinates,has disorder","226648","2020-10-21","18:00:00",""
"4035169","8.237","0.0002","10.4144","0.0003","8.7895","0.0003","90","","102.906","0.001","90","","734.95","0.04","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","BMW-831","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.046","0.0397","","","0.0999","0.1032","","","","","","1.069","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035170","7.2928","0.0004","11.7582","0.0007","9.4213","0.0005","90","","112.645","0.002","90","","745.6","0.07","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","BMW-803","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0378","0.0332","","","0.0743","0.0766","","","","","","1.078","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035171","10.3207","0.0002","13.0112","0.0003","24.0063","0.0006","90","","90","","90","","3223.68","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","673","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","2","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0436","0.0398","","","0.1032","0.1057","","","","","","1.04","","","","has coordinates,has disorder","226649","2020-10-21","18:00:00",""
"4035172","22.4524","0.0008","6.2502","0.0002","10.4159","0.0004","90","","102.201","0.0013","90","","1428.67","0.09","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","785","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0329","0.0307","","","0.0703","0.0714","","","","","","1.082","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035173","7.3367","0.0007","12.348","0.0012","8.6496","0.0009","90","","105.847","0.001","90","","753.82","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 F3 N2 O -","- C7 H5 F3 N2 O -","- C28 H20 F12 N8 O4 -","4","1","","Saunders, Carla; Khaled, Mohammad B.; Weaver, 3rd, Jimmie D; Tantillo, Dean J.","Prediction of <sup>19</sup>F NMR Chemical Shifts for Fluorinated Aromatic Compounds.","The Journal of organic chemistry","2018","83","6","3220","3225","10.1021/acs.joc.8b00104","","","0.71073","MoKα","","0.0514","0.04","","","0.104","0.1124","","","","","","1.056","","","","has coordinates","226650","2020-10-21","18:00:00",""
"4035174","8.2534","0.0004","8.9301","0.0005","11.6896","0.0007","90","","90","","90","","861.57","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,3S,9S,12S)-5,7,10-trioxatricyclo[7.3.0.0^3,12^]dodecan-11-one","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","1","","Xin, Yangchun; Rodríguez-Santiago, Luís; Sodupe, Mariona; Álvarez-Larena, Angel; Busqué, Félix; Alibés, Ramon","Intramolecular Photocycloaddition of 2(5 H)-Furanones to Temporarily Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.","The Journal of organic chemistry","2018","83","6","3188","3199","10.1021/acs.joc.8b00088","","","0.71075","MoKα","","0.0952","0.0793","","","0.2121","0.2285","","","","","","1.103","","","","has coordinates","226651","2020-10-21","18:00:00",""
"4035175","10.1332","0.0006","10.5209","0.0005","20.5621","0.001","77.223","0.003","81.352","0.004","89.909","0.003","2112.41","0.19","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 F3 N O -","- C27 H22 F3 N O -","- C108 H88 F12 N4 O4 -","4","2","","Nguyen, Alex L.; Khatri, Hari R.; Woods, James R.; Baldwin, Cassidy S.; Fronczek, Frank R.; Colby, David A.","Magnesium-Promoted Additions of Difluoroenolates to Unactivated Imines.","The Journal of organic chemistry","2018","83","6","3109","3118","10.1021/acs.joc.7b03014","","","1.54184","CuKα","","0.1818","0.1155","","","0.3068","0.3533","","","","","","1.032","","","","has coordinates","226652","2020-10-21","18:00:00",""
"4035176","15.2253","0.0009","9.1994","0.0006","17.8109","0.001","90","","97.278","0.005","90","","2474.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 N O4 -","- C24 H41 N O4 -","- C96 H164 N4 O16 -","4","1","","Chang, Denghu; Zhao, Rong; Wei, Congyin; Yao, Yuan; Liu, Yang; Shi, Lei","Sulfonamide-Directed Chemo- and Site-Selective Oxidative Halogenation/Amination Using Halogenating Reagents Generated in Situ from Cyclic Diacyl Peroxides.","The Journal of organic chemistry","2018","83","6","3305","3315","10.1021/acs.joc.8b00243","","x-ray","0.71073","MoKα","","0.1381","0.0758","","","0.2066","0.2538","","","","","","1.056","","","","has coordinates,has disorder","226653","2020-10-21","18:00:00",""
"4035177","10.53555","0.00014","16.17984","0.00019","24.4076","0.0003","90","","90","","90","","4160.61","0.09","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H64 O6 -","- C45 H64 O6 -","- C180 H256 O24 -","4","1","","Shan, Huanyu; Zhou, Qiaoxia; Yu, Jinglu; Zhang, Shuoqing; Hong, Xin; Lin, Xufeng","Rhodium-Catalyzed Asymmetric Addition of Organoboronic Acids to Aldimines Using Chiral Spiro Monophosphite-Olefin Ligands: Method Development and Mechanistic Studies.","The Journal of organic chemistry","2018","83","19","11873","11885","10.1021/acs.joc.8b01764","","","1.54184","CuKα","","0.0512","0.0454","","","0.1102","0.1169","","","","","","1.059","","","","has coordinates","226654","2020-10-21","18:00:00",""
"4035178","8.02988","0.00012","14.07","0.0002","37.5353","0.0006","90","","90","","90","","4240.75","0.11","171.2","","171.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H64 O6 -","- C45 H64 O6 -","- C180 H256 O24 -","4","1","","Shan, Huanyu; Zhou, Qiaoxia; Yu, Jinglu; Zhang, Shuoqing; Hong, Xin; Lin, Xufeng","Rhodium-Catalyzed Asymmetric Addition of Organoboronic Acids to Aldimines Using Chiral Spiro Monophosphite-Olefin Ligands: Method Development and Mechanistic Studies.","The Journal of organic chemistry","2018","83","19","11873","11885","10.1021/acs.joc.8b01764","","","1.54184","CuKα","","0.0509","0.0456","","","0.1163","0.1225","","","","","","1.05","","","","has coordinates","226655","2020-10-21","18:00:00",""
"4035179","5.3633","0.0004","9.1569","0.0012","9.3749","0.001","115.199","0.013","93.554","0.008","98.472","0.009","408.03","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C22 H16 N2 O -","1","1","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.1148","0.1037","","","0.2701","0.2971","","","","","","1.273","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035180","5.7505","0.0002","9.7182","0.0004","32.0971","0.0015","90","","90","","90","","1793.73","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C84 H80 N8 O12 -","- C84 H80 N8 O12 -","- C84 H80 N8 O12 -","1","0.25","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0556","0.0529","","","0.1353","0.1401","","","","","","1.055","","","","has coordinates","226657","2020-10-21","18:00:00",""
"4035181","8.8716","0.0008","9.7308","0.0009","11.2518","0.0011","78.991","0.008","86.805","0.007","68.727","0.008","888.4","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 N4 O6 -","- C42 H38 N4 O6 -","- C42 H38 N4 O6 -","1","0.5","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0987","0.0821","","","0.2365","0.2597","","","","","","1.065","","","","has coordinates","226658","2020-10-21","18:00:00",""
"4035182","9.5284","0.0005","10.4453","0.0007","10.9147","0.0006","82.831","0.005","88.793","0.005","78.374","0.005","1055.69","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O3 -","- C26 H19 N3 O3 -","- C52 H38 N6 O6 -","2","1","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0502","0.0446","","","0.1148","0.1206","","","","","","1.055","","","","has coordinates","226659","2020-10-21","18:00:00",""
"4035183","5.7022","0.0006","9.6372","0.0009","31.486","0.003","90","","90","","90","","1730.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N0.25 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0663","0.0523","","","0.1313","0.1529","","","","","","1.075","","","","has coordinates","226660","2020-10-21","18:00:00",""
"4035184","12.9092","0.0004","5.32654","0.00015","17.0164","0.0005","90","","98.18","0.007","90","","1158.17","0.06","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Yokoi, Taiki; Tanimoto, Hiroki; Ueda, Tomomi; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds.","The Journal of organic chemistry","2018","83","19","12103","12121","10.1021/acs.joc.8b02074","","","0.71075","MoKα","","0.0397","0.0361","","","0.0949","0.0973","","","","","","1.049","","","","has coordinates","226661","2020-10-21","18:00:00",""
"4035185","8.17797","0.00015","14.6247","0.0003","27.2033","0.0005","90","","90","","90","","3253.52","0.11","103","","103","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N6 O2 -","- C17 H14 N6 O2 -","- C136 H112 N48 O16 -","8","1","","Yokoi, Taiki; Tanimoto, Hiroki; Ueda, Tomomi; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds.","The Journal of organic chemistry","2018","83","19","12103","12121","10.1021/acs.joc.8b02074","","","0.71075","MoKα","","0.0432","0.0367","","","0.0866","0.0897","","","","","","1.034","","","","has coordinates","226662","2020-10-21","18:00:00",""
"4035186","10.37797","0.00019","9.68067","0.00018","20.4861","0.0004","90","","98.126","0.007","90","","2037.49","0.08","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O3 S -","- C22 H21 N3 O3 S -","- C88 H84 N12 O12 S4 -","4","1","","Yokoi, Taiki; Tanimoto, Hiroki; Ueda, Tomomi; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds.","The Journal of organic chemistry","2018","83","19","12103","12121","10.1021/acs.joc.8b02074","","","0.71075","MoKα","","0.0463","0.038","","","0.0906","0.0948","","","","","","1.041","","","","has coordinates","226663","2020-10-21","18:00:00",""
"4035187","19.9132","0.0008","15.647","0.0007","25.9036","0.0009","90","","91.158","0.003","90","","8069.4","0.6","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H66 Br6 N6 O6 -","- C81 H66 Br6 N6 O6 -","- C324 H264 Br24 N24 O24 -","4","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1268","0.0697","","","0.1414","0.1662","","","","","","1.012","","","","has coordinates","226664","2020-10-21","18:00:00",""
"4035188","11.0266","0.0004","24.2582","0.0011","26.2224","0.001","90","","90","","90","","7014.1","0.5","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H34 Br6 O6 -","- C63 H34 Br6 O6 -","- C252 H136 Br24 O24 -","4","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1645","0.0737","","","0.1499","0.1865","","","","","","0.937","","","","has coordinates","226665","2020-10-21","18:00:00",""
"4035189","12.555","0.002","17.818","0.003","17.84","0.003","73.987","0.004","89.554","0.005","87.329","0.005","3831.8","1.1","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C94.88 H105.54 Cl0.67 O6 -","- C94.88 H105.536 Cl0.672 O6 -","- C189.76 H211.072 Cl1.344 O12 -","2","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1557","0.1305","","","0.3075","0.3188","","","","","","1.904","","","","has coordinates,has disorder","226666","2020-10-21","18:00:00",""
"4035190","24.871","0.0008","16.1571","0.0004","22.4581","0.0007","90","","108.057","0.003","90","","8580.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H67 Cl3 O6 -","- C100 H67 Cl3 O6 -","- C400 H268 Cl12 O24 -","4","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1271","0.0745","","","0.1806","0.2121","","","","","","1.043","","","","has coordinates,has disorder","226667","2020-10-21","18:00:00",""
"4035191","8.1049","0.0013","13.229","0.003","18.91","0.005","90","","90","","90","","2027.5","0.8","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl N2 O3 -","- C20 H27 Cl N2 O3 -","- C80 H108 Cl4 N8 O12 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Regioselective and Stereoselective Reductive Aziridinium Ring Cleavage Leading to Azabicyclodecane Architecture: Enantioselective Synthesis of (+)-Subincanadine F.","The Journal of organic chemistry","2018","83","19","12164","12170","10.1021/acs.joc.8b02113","","","1.54178","CuKα","","0.0832","0.0758","","","0.2004","0.2104","","","","","","1.054","","","","has coordinates","226668","2020-10-21","18:00:00",""
"4035192","11.7753","0.0004","14.8277","0.0004","14.2674","0.0004","90","","110.892","0.001","90","","2327.32","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 B N -","- C30 H28 B N -","- C120 H112 B4 N4 -","4","1","","Mellerup, Soren K.; Li, Cally; Wang, Xiang; Wang, Suning","Controlling Isomerization Selectivity in Chiral, Photochromic N,C-Chelate Organoboron Systems with Extended π-Conjugation.","The Journal of organic chemistry","2018","83","19","11970","11977","10.1021/acs.joc.8b01856","","","0.71073","MoKα","","0.0535","0.0494","","","0.1238","0.127","","","","","","1.06","","","","has coordinates","226669","2020-10-21","18:00:00",""
"4035193","9.369","0.003","10.09","0.003","10.992","0.004","66.523","0.008","88.46","0.009","67.367","0.009","869.8","0.5","205","","205","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C40 H36 N4 O6 -","2","1","","Li, Yazhou; Zhou, Jianhui; Fang, Feifei; Xu, Bin; Liu, Hong; Zhou, Yu","Rhodium(III)-Catalyzed C-H Activation of α-Iminonitriles or α-Imino Esters and Cyclization with Acrylates to 2 H-Isoindoles.","The Journal of organic chemistry","2018","83","19","11736","11746","10.1021/acs.joc.8b01664","","","0.71073","MoKα","","0.0968","0.0613","","","0.1535","0.1816","","","","","","0.961","","","","has coordinates","226670","2020-10-21","18:00:00",""
"4035194","8.2932","0.0016","9.6779","0.0017","10.89","0.002","94.56","0.015","105.319","0.017","101.949","0.016","816.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 F3 N O2 S -","- C17 H16 F3 N O2 S -","- C34 H32 F6 N2 O4 S2 -","2","1","","Liang, Deqiang; Dong, Qishan; Xu, Penghui; Dong, Ying; Li, Weili; Ma, Yinhai","Synthesis of CF<sub>3</sub>CH<sub>2</sub>-Containing Indolines by Transition-Metal-Free Aryltrifluoromethylation of Unactivated Alkenes.","The Journal of organic chemistry","2018","83","19","11978","11986","10.1021/acs.joc.8b01861","","x-ray","1.54184","CuKα","","0.0909","0.0628","","","0.1644","0.1787","","","","","","1.145","","","","has coordinates","226671","2020-10-21","18:00:00",""
"4035195","7.561","0.0005","6.3397","0.0004","27.0124","0.0016","90","","92.236","0.006","90","","1293.84","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H36 O4 -","- C31 H36 O4 -","- C62 H72 O8 -","2","1","","Qiao, Zhi; Liu, Hui; Sui, Jing-Jing; Liao, Jin-Xi; Tu, Yuan-Hong; Schmidt, Richard R.; Sun, Jian-Song","Diversity-Oriented Synthesis of Steviol Glycosides.","The Journal of organic chemistry","2018","83","19","11480","11492","10.1021/acs.joc.8b01274","","","0.71073","MoKα","","0.1171","0.1136","","","0.3013","0.3038","","","","","","1.105","","","","has coordinates","226672","2020-10-21","18:00:00",""
"4035196","7.6058","0.001","9.596","0.0009","25.628","0.003","90","","90","","90","","1870.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Qiao, Zhi; Liu, Hui; Sui, Jing-Jing; Liao, Jin-Xi; Tu, Yuan-Hong; Schmidt, Richard R.; Sun, Jian-Song","Diversity-Oriented Synthesis of Steviol Glycosides.","The Journal of organic chemistry","2018","83","19","11480","11492","10.1021/acs.joc.8b01274","","x-ray","0.71073","MoKα","","0.0986","0.0794","","","0.1747","0.1871","","","","","","1.081","","","","has coordinates","226673","2020-10-21","18:00:00",""
"4035197","9.2524","0.0007","11.1911","0.0008","17.8291","0.0013","90","","90","","90","","1846.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","t-Butyl 1-(3aR,5,6,6aS-tetrahydro-4H-pyrrolo[3,4-d]isoxazol-3-yl)-2S-phenylethyl)carbamate","","- C18 H25 N3 O3 -","- C18 H25 N3 O3 -","- C72 H100 N12 O12 -","4","1","","Bucci, Raffaella; Giofré, Sabrina; Clerici, Francesca; Contini, Alessandro; Pinto, Andrea; Erba, Emanuela; Soave, Raffaella; Pellegrino, Sara; Gelmi, Maria Luisa","Tetrahydro-4 H-(pyrrolo[3,4- d]isoxazol-3-yl)methanamine: A Bicyclic Diamino Scaffold Stabilizing Parallel Turn Conformations.","The Journal of organic chemistry","2018","83","19","11493","11501","10.1021/acs.joc.8b01299","","","0.71073","MoKα","","0.1622","0.0504","","","0.1105","0.1546","","","","","","0.955","","","","has coordinates","226674","2020-10-21","18:00:00",""
"4035198","5.1021","0.0001","15.7064","0.0006","22.3341","0.0007","90","","90.038","0.001","90","","1789.76","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Sakthivel, Shanmugam; Balamurugan, Rengarajan","Annulation of a Highly Functionalized Diazo Building Block with Indoles under Sc(OTf)<sub>3</sub>/Rh<sub>2</sub>(OAc)<sub>4</sub> Multicatalysis through Michael Addition/Cyclization Sequence.","The Journal of organic chemistry","2018","83","19","12171","12183","10.1021/acs.joc.8b02127","","","0.71073","MoKα","","0.0688","0.0471","","","0.0994","0.1067","","","","","","1.134","","","","has coordinates","226675","2020-10-21","18:00:00",""
"4035199","14.2131","0.0014","15.0872","0.0016","9.4875","0.0008","90","","105.673","0.005","90","","1958.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Sakthivel, Shanmugam; Balamurugan, Rengarajan","Annulation of a Highly Functionalized Diazo Building Block with Indoles under Sc(OTf)<sub>3</sub>/Rh<sub>2</sub>(OAc)<sub>4</sub> Multicatalysis through Michael Addition/Cyclization Sequence.","The Journal of organic chemistry","2018","83","19","12171","12183","10.1021/acs.joc.8b02127","","","0.71073","MoKα","","0.1402","0.0696","","","0.1335","0.1597","","","","","","1.03","","","","has coordinates","226676","2020-10-21","18:00:00",""
"4035200","7.7691","0.0002","16.2565","0.0005","15.0511","0.0005","90","","90.104","0.001","90","","1900.93","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","","Sakthivel, Shanmugam; Balamurugan, Rengarajan","Annulation of a Highly Functionalized Diazo Building Block with Indoles under Sc(OTf)<sub>3</sub>/Rh<sub>2</sub>(OAc)<sub>4</sub> Multicatalysis through Michael Addition/Cyclization Sequence.","The Journal of organic chemistry","2018","83","19","12171","12183","10.1021/acs.joc.8b02127","","","0.71073","MoKα","","0.0382","0.0342","","","0.0885","0.0913","","","","","","1.092","","","","has coordinates","226678","2020-10-21","18:00:00",""
"4035201","11.3067","0.0009","9.613","0.0007","23.3153","0.0018","90","","95.179","0.003","90","","2523.8","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N O6 S -","- C25 H28 Cl N O6 S -","- C100 H112 Cl4 N4 O24 S4 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0933","0.0605","","","0.1903","0.2075","","","","","","1.407","","","","has coordinates","226679","2020-10-21","18:00:00",""
"4035202","9.4708","0.0008","7.4003","0.0006","14.1551","0.0012","90","","95.154","0.003","90","","988.07","0.14","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2014/7","","- C22 H20 Cl N3 O3 -","- C22 H20 Cl N3 O3 -","- C44 H40 Cl2 N6 O6 -","2","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0456","0.0387","","","0.0892","0.0921","","","","","","1.006","","","","has coordinates","226680","2020-10-21","18:00:00",""
"4035203","24.087","0.004","8.8775","0.0015","11.5808","0.0019","90","","107.337","0.004","90","","2363.8","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","2014/7","","- C23 H25 Cl N5 O4 -","- C24 H25 Cl N4 O4 -","- C96 H100 Cl4 N16 O16 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0564","0.0396","","","0.0806","0.0859","","","","","","0.965","","","","has coordinates","226681","2020-10-21","18:00:00",""
"4035204","5.3829","0.0004","17.6389","0.0012","21.6279","0.0015","90","","90","","90","","2053.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl N O3 -","- C24 H24 Cl N O3 -","- C96 H96 Cl4 N4 O12 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0542","0.0352","","","0.0699","0.0829","","","","","","1.102","","","","has coordinates","226682","2020-10-21","18:00:00",""
"4035205","8.7508","0.0006","7.8977","0.0005","14.1765","0.0011","90","","95.447","0.004","90","","975.33","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Li, Shuang; Wang, Jing; Xia, Peng-Ju; Zhao, Qing-Lan; Wang, Chao-Ming; Xiao, Jun-An; Chen, Xiao-Qing; Xiang, Hao-Yue; Yang, Hua","Organocatalytic Domino Entry to an Octahydroacridine Scaffold Bearing Three Contiguous Stereocenters.","The Journal of organic chemistry","2018","83","19","12284","12290","10.1021/acs.joc.8b01875","","","0.71073","MoKα","","0.0442","0.0427","","","0.1258","0.1282","","","","","","1.043","","","","has coordinates","226683","2020-10-21","18:00:00",""
"4035206","13.7745","0.0002","9.69517","0.00016","23.1634","0.0004","90","","90","","90","","3093.38","0.09","162.46","0.1","162.46","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C128 H184 N8 O32 -","8","2","","Faderl, Christian; Budde, Simon; Kachkovskyi, Georgiy; Rackl, Daniel; Reiser, Oliver","Visible Light-Mediated Decarboxylation Rearrangement Cascade of ω-Aryl- N-(acyloxy)phthalimides.","The Journal of organic chemistry","2018","83","19","12192","12206","10.1021/acs.joc.8b01538","","","1.54184","CuKα","","0.0582","0.0516","","","0.1525","0.1638","","","","","","1.058","","","","has coordinates,has disorder","226684","2020-10-21","18:00:00",""
"4035207","12.9433","0.0008","25.6688","0.0019","7.8534","0.0005","90","","90","","90","","2609.2","0.3","150","2","150","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C32 H31 N3 O2 -","- C32 H31 N3 O2 -","- C128 H124 N12 O8 -","4","1","","Fecková, Michaela; le Poul, Pascal; Guen, Françoise Robin-le; Roisnel, Thierry; Pytela, Oldřich; Klikar, Milan; Bureš, Filip; Achelle, Sylvain","2,4-Distyryl- and 2,4,6-Tristyrylpyrimidines: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","11712","11726","10.1021/acs.joc.8b01653","","x-ray","0.71073","MoKα","","0.0712","0.0559","","","0.1368","0.1435","","","","","","1.092","","","","has coordinates,has disorder","226685","2020-10-21","18:00:00",""
"4035208","8.0486","0.0005","32.6885","0.0018","10.843","0.0006","90","","96.084","0.001","90","","2836.7","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","G03045783.1-1 EtOH/H2O 68863-100","gene382","","- C30 H30 Cl F O5 S -","- C30 H30 Cl F O5 S -","- C120 H120 Cl4 F4 O20 S4 -","4","1","","Savage, Scott; McClory, Andrew; Zhang, Haiming; Cravillion, Theresa; Lim, Ngiap-Kie; Masui, Colin; Robinson, Sarah J.; Han, Chong; Ochs, Christoph; Rege, Pankaj D.; Gosselin, Francis","Synthesis of Selective Estrogen Receptor Degrader GDC-0810 via Stereocontrolled Assembly of a Tetrasubstituted All-Carbon Olefin.","The Journal of organic chemistry","2018","83","19","11571","11576","10.1021/acs.joc.8b01551","","","0.71073","MoKα","","0.0401","0.0347","","","0.0753","0.0788","","","","","","1.074","","","","has coordinates","226686","2020-10-21","18:00:00",""
"4035209","9.9204","0.0007","11.0141","0.0008","25.763","0.002","90","","90","","90","","2815","0.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,9-dinitro-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C14 H4 N4 O6 S -","- C14 H4 N4 O6 S -","- C112 H32 N32 O48 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0482","0.0366","","","0.0895","0.0947","","","","","","1.045","","","","has coordinates","226687","2020-10-21","18:00:00",""
"4035210","10.4555","0.0009","10.4555","0.0009","26.75","0.002","90","","90","","90","","2924.2","0.4","120","","120","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","1,9-dinitro-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C14 H4 N4 O6 S -","- C14 H4 N4 O6 S -","- C112 H32 N32 O48 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0604","0.059","","","0.1523","0.1535","","","","","","1.162","","","","has coordinates,has disorder","226687","2020-10-21","18:00:00",""
"4035211","13.3642","0.0009","9.6436","0.0006","13.6194","0.0009","90","","114.786","0.002","90","","1593.56","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,7-dicyano-1,9-dinitrodibenzothiophene-S,S-dioxide : tetrahydrofuran","","- C16 H8 N4 O6.5 S -","- C16 H8 N4 O6.5 S -","- C64 H32 N16 O26 S4 -","4","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0791","0.0566","","","0.1134","0.1229","","","","","","1.075","","","","has coordinates,has disorder","226687","2020-10-21","18:00:00",""
"4035212","19.8345","0.001","9.7054","0.0005","17.1644","0.0008","90","","109.942","0.0017","90","","3106","0.3","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,9-(N,N'-2,2-diaminoisopropyl)-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C17 H12 N4 O2 S -","- C17 H12 N4 O2 S -","- C136 H96 N32 O16 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0516","0.0408","","","0.1053","0.1106","","","","","","1.055","","","","has coordinates","226687","2020-10-21","18:00:00",""
"4035213","7.934","0.003","11.694","0.005","12.083","0.004","98.357","0.007","106.844","0.002","104.871","0.009","1007.4","0.7","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Cl N2 O4 S -","- C22 H19 Cl N2 O4 S -","- C44 H38 Cl2 N4 O8 S2 -","2","1","","Gao, Wen-Chao; Cheng, Yu-Fei; Shang, Yu-Zhu; Chang, Hong-Hong; Li, Xing; Zhou, Rong; Qiao, Yan; Wei, Wen-Long","Copper(II)-Catalyzed Four-Component Oxysulfonylation/Diazenylation: Synthesis of α-Arylhydrazo-β-keto Sulfones.","The Journal of organic chemistry","2018","83","19","11956","11962","10.1021/acs.joc.8b01843","","","0.71073","MoKα","","0.0437","0.0361","","","0.0991","0.1031","","","","","","1.035","","","","has coordinates","226688","2020-10-21","18:00:00",""
"4035214","22.138","0.004","6.7644","0.0008","27.623","0.003","90","","99.718","0.002","90","","4077.2","1","296","2","296.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H22 Se2 Si2 -","- C16 H22 Se2 Si2 -","- C128 H176 Se16 Si16 -","8","1","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","","0.71073","MoKα","","0.0897","0.0392","","","0.0737","0.0911","","","","","","0.909","","","","has coordinates","226689","2020-10-21","18:00:00",""
"4035215","10.7857","0.0002","14.5659","0.0003","32.0512","0.0007","90","","93.67","0.002","90","","5025.03","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H90 Cl2 Se16 Si8 -","- C81 H90 Cl2 Se16 Si8 -","- C162 H180 Cl4 Se32 Si16 -","2","0.5","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","x-ray","0.71073","MoKα","","0.0638","0.0409","","","0.0855","0.0948","","","","","","1.019","","","","has coordinates,has disorder","226690","2020-10-21","18:00:00",""
"4035216","6.08389","0.00014","14.5798","0.0003","29.7083","0.0007","90","","90","","90","","2635.18","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C96 H88 S24 Si8 -","4","1","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","x-ray","1.54184","CuKα","","0.0922","0.0648","","","0.1603","0.1757","","","","","","1.097","","","","has coordinates","226691","2020-10-21","18:00:00",""
"4035217","43.5409","0.0016","6.07902","0.00015","25.6532","0.001","90","","126.743","0.006","90","","5441","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 S2 Se4 Si2 -","- C24 H22 S2 Se4 Si2 -","- C192 H176 S16 Se32 Si16 -","8","1","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","x-ray","1.54184","CuKα","","0.069","0.0446","","","0.0998","0.1156","","","","","","1.023","","","","has coordinates","226692","2020-10-21","18:00:00",""
"4035218","6.6546","0.0012","12.875","0.002","10.2719","0.0017","90","","97.251","0.003","90","","873","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Se2 Si2 -","- C12 H20 Se2 Si2 -","- C24 H40 Se4 Si4 -","2","0.5","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","","0.71073","MoKα","","0.0478","0.0367","","","0.0921","0.0982","","","","","","1.054","","","","has coordinates","226693","2020-10-21","18:00:00",""
"4035219","7.286","0.0008","8.3926","0.001","12.1427","0.0013","88.21","0.004","86.511","0.004","79.953","0.004","729.61","0.14","132","2","132.55","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C32 H26 N6 O4 S2 -","2","1","","Ghosh, Tubai; Maity, Pintu; Ranu, Brindaban C.","Cu(OAc)<sub>2</sub>-Promoted Ortho C(sp<sup>2</sup>)-H Amidation of 8-Aminoquinoline Benzamide with Acyl Azide: Selective Formation of Aroyl or Acetyl Amide Based on Catalyst Loading.","The Journal of organic chemistry","2018","83","19","11758","11767","10.1021/acs.joc.8b01654","","","0.71073","MoKα","","0.0576","0.042","","","0.102","0.1115","","","","","","1.023","","","","has coordinates","226694","2020-10-21","18:00:00",""
"4035220","10.877","0.003","20.729","0.006","21.133","0.006","90","","90","","90","","4765","2","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H27 N3 O2 -","- C28 H27 N3 O2 -","- C224 H216 N24 O16 -","8","1","","Ghosh, Tubai; Maity, Pintu; Ranu, Brindaban C.","Cu(OAc)<sub>2</sub>-Promoted Ortho C(sp<sup>2</sup>)-H Amidation of 8-Aminoquinoline Benzamide with Acyl Azide: Selective Formation of Aroyl or Acetyl Amide Based on Catalyst Loading.","The Journal of organic chemistry","2018","83","19","11758","11767","10.1021/acs.joc.8b01654","","","0.71073","MoKα","","0.1409","0.0751","","","0.1544","0.187","","","","","","1.042","","","","has coordinates","226695","2020-10-21","18:00:00",""
"4035221","10.1585","0.0008","5.1082","0.0003","25.137","0.002","90","","100.794","0.003","90","","1281.32","0.16","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H22 -","- C46 H22 -","- C92 H44 -","2","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.128","0.0802","","","0.1816","0.204","","","","","","1.115","","","","has coordinates","226696","2020-10-21","18:00:00",""
"4035222","14.0177","0.0005","7.74","0.0003","20.7641","0.0007","90","","90","","90","","2252.84","0.14","100","0.2","100","0.2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0597","0.0493","","","0.1209","0.1281","","","","","","1.053","","","","has coordinates","226697","2020-10-21","18:00:00",""
"4035223","13.718","0.002","28.993","0.004","7.3734","0.0013","90","","97.348","0.005","90","","2908.5","0.8","298","2","298","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H26 -","- C46 H26 -","- C184 H104 -","4","1","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.2365","0.1638","","","0.475","0.5031","","","","","","1.666","","","","has coordinates","226698","2020-10-21","18:00:00",""
"4035224","28.518","0.002","3.9214","0.0002","28.75","0.002","90","","111.54","0.003","90","","2990.6","0.3","200","2","200","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C46 H22 Cl4 -","- C46 H22 Cl4 -","- C184 H88 Cl16 -","4","1","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0895","0.063","","","0.1219","0.1314","","","","","","1.182","","","","has coordinates","226699","2020-10-21","18:00:00",""
"4035225","9.3146","0.0003","14.9831","0.0005","6.5062","0.0002","90","","100.657","0.002","90","","892.35","0.05","100","0.2","100","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0572","0.0429","","","0.1137","0.1268","","","","","","1.045","","","","has coordinates","226700","2020-10-21","18:00:00",""
"4035226","11.996","0.006","3.8892","0.0016","30.77","0.015","90","","95.413","0.016","90","","1429.2","1.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H24 Cl2 -","- C46 H24 Cl2 -","- C92 H48 Cl4 -","2","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0675","0.046","","","0.0996","0.1109","","","","","","1.021","","","","has coordinates","226701","2020-10-21","18:00:00",""
"4035227","3.8591","0.0009","15.09","0.004","24.31","0.007","72.301","0.009","89.25","0.009","84.739","0.007","1342.8","0.6","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C46 H24 -","- C46 H24 -","- C92 H48 -","2","1","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.1012","0.0596","","","0.1261","0.1426","","","","","","1.019","","","","has coordinates","226702","2020-10-21","18:00:00",""
"4035228","22.3394","0.0005","8.2464","0.0002","13.8104","0.0003","90","","98.821","0.002","90","","2514.06","0.1","153","2","153","3","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H30 O6 -","- C25 H30 O6 -","- C100 H120 O24 -","4","1","","Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang","Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","The Journal of organic chemistry","2018","83","19","11804","11813","10.1021/acs.joc.8b01738","","","1.54178","CuKα","","0.0336","0.0331","","","0.0925","0.0933","","","","","","1.0499","","","","has coordinates","226703","2020-10-21","18:00:00",""
"4035229","7.1755","0.0003","13.5398","0.0004","24.583","0.001","90","","90","","90","","2388.36","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang","Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","The Journal of organic chemistry","2018","83","19","11804","11813","10.1021/acs.joc.8b01738","","","1.54178","CuKα","","0.0436","0.0392","","","0.1016","0.1052","","","","","","1.054","","","","has coordinates","226704","2020-10-21","18:00:00",""
"4035230","22.0812","0.0019","22.0812","0.0019","28.205","0.003","90","","90","","120","","11909.7","1.9","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.33 H27.33 Cl F N2 O3 -","- C29.3333 H27.3333 Cl F N2 O3 -","- C528 H492 Cl18 F18 N36 O54 -","18","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.197","0.1088","","","0.2583","0.3117","","","","","","1.083","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035231","27.5889","0.0011","27.5889","0.0011","21.9252","0.0008","90","","90","","120","","14452.5","1","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31.33 H30.33 Cl2.67 F3 N2 O3.33 -","- C31.3333 H29.6666 Cl2.6667 F3 N2 O3.33333 -","- C564 H533.999 Cl48.0006 F54 N36 O60 -","18","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.1016","0.0804","","","0.1826","0.1875","","","","","","1.888","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035232","5.12421","0.00008","18.41","0.0003","24.5471","0.0003","90","","90","","90","","2315.69","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O3 S -","- C27 H26 N2 O3 S -","- C108 H104 N8 O12 S4 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0886","0.0785","","","0.219","0.2271","","","","","","1.058","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035233","10.9296","0.0002","16.2586","0.0004","14.4963","0.0003","90","","96.6854","0.0012","90","","2558.48","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C108 H128 N8 O12 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0696","0.0603","","","0.1881","0.1992","","","","","","1.211","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035234","8.885","0.0005","15.6428","0.0009","15.7705","0.0011","90","","90","","90","","2191.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.066","0.0533","","","0.1241","0.1305","","","","","","1.055","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035235","11.88","0.003","18.397","0.004","13.284","0.003","90","","111.478","0.009","90","","2701.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C120 H120 N8 O16 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0586","0.0513","","","0.1501","0.1578","","","","","","1.07","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035236","5.3292","0.0003","20.4942","0.0008","21.4516","0.0012","90","","91.853","0.005","90","","2341.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N2 O4 -","- C27 H32 N2 O4 -","- C108 H128 N8 O16 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.0584","0.0515","","","0.1343","0.1384","","","","","","1.059","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035237","10.9767","0.0006","28.08","0.0014","15.6928","0.0008","90","","109.208","0.0013","90","","4567.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C200 H224 N16 O24 -","8","2","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0785","0.0653","","","0.2013","0.2137","","","","","","1.099","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035238","11.156","0.002","11.714","0.002","21.91","0.004","85.73","0.03","80.75","0.03","73.09","0.03","2702.6","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.25 H30.5 Cl0.5 N2 O4 -","- C30.25 H30.5 Cl0.5 N2 O4 -","- C121 H122 Cl2 N8 O16 -","4","2","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.0827","0.066","","","0.1681","0.1784","","","","","","1.026","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035239","22.7789","0.0015","22.7789","0.0015","34.781","0.003","90","","90","","90","","18047","2","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25.75 H24.5 N3 O2.25 -","- C25.75 H24.5 N3 O2.25 -","- C824 H784 N96 O72 -","32","2","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.1994","0.0688","","","0.1124","0.1528","","","","","","0.802","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035240","6.958","0.002","14.801","0.005","8.546","0.002","90","","103.69","0.03","90","","855.1","0.4","293","2","293","2","","","101","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","7-methyl-2,3-dihydro-1H-pyrrolo[1,2-d][1,4]diazepin-4(5H)-one","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Zelina, Elena Y.; Nevolina, Tatyana A.; Sorotskaja, Ludmila N.; Skvortsov, Dmitry A.; Trushkov, Igor V.; Uchuskin, Maxim G.","A General Synthetic Route to Isomeric Pyrrolo[1,2- x][1,4]diazepinones.","The Journal of organic chemistry","2018","83","19","11747","11757","10.1021/acs.joc.8b01669","","x-ray","0.71073","MoKα","","0.0627","0.048","","","0.1255","0.1376","","","","","","1.082","","","","has coordinates","226706","2020-10-21","18:00:00",""
"4035241","8.797","0.014","9.714","0.015","11.666","0.018","112.83","0.02","99.88","0.02","102.02","0.02","863","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","Karishma, Pidiyara; Mahesha, Chikkagundagal K.; Agarwal, Devesh S.; Mandal, Sanjay K.; Sakhuja, Rajeev","Additive-Driven Rhodium-Catalyzed [4+1]/[4+2] Annulations of N-Arylphthalazine-1,4-dione with α-Diazo Carbonyl Compounds.","The Journal of organic chemistry","2018","83","19","11661","11673","10.1021/acs.joc.8b01630","","","0.71073","MoKα","","0.0553","0.0446","","","0.1323","0.1418","","","","","","1.05","","","","has coordinates","226707","2020-10-21","18:00:00",""
"4035242","8.4553","0.0015","21.077","0.004","8.8999","0.0015","90","","96.762","0.003","90","","1575","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F N2 O5 -","- C18 H13 F N2 O5 -","- C72 H52 F4 N8 O20 -","4","1","","Karishma, Pidiyara; Mahesha, Chikkagundagal K.; Agarwal, Devesh S.; Mandal, Sanjay K.; Sakhuja, Rajeev","Additive-Driven Rhodium-Catalyzed [4+1]/[4+2] Annulations of N-Arylphthalazine-1,4-dione with α-Diazo Carbonyl Compounds.","The Journal of organic chemistry","2018","83","19","11661","11673","10.1021/acs.joc.8b01630","","","0.71073","MoKα","","0.0738","0.0541","","","0.1527","0.1775","","","","","","1.087","","","","has coordinates","226708","2020-10-21","18:00:00",""
"4035243","7.4942","0.0011","8.3234","0.0013","13.895","0.002","81.582","0.014","74.877","0.014","75.943","0.013","808.5","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H13 B Cl F2 N3 O S -","- C16 H13 B Cl F2 N3 O S -","- C32 H26 B2 Cl2 F4 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0698","0.064","","","0.1807","0.1907","","","","","","1.08","","","","has coordinates","226709","2020-10-21","18:00:00",""
"4035244","6.7366","0.0006","10.6037","0.0009","11.8737","0.0009","103.762","0.007","94.853","0.007","97.745","0.007","810.29","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 B F6 N3 O S -","- C16 H10 B F6 N3 O S -","- C32 H20 B2 F12 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0958","0.0867","","","0.2662","0.2762","","","","","","1.11","","","","has coordinates","226710","2020-10-21","18:00:00",""
"4035245","10.9387","0.0005","13.5166","0.0007","21.8934","0.0015","90","","90","","90","","3237","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H16 B F2 N3 O2 S -","- C17 H16 B F2 N3 O2 S -","- C136 H128 B8 F16 N24 O16 S8 -","8","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0876","0.0617","","","0.1539","0.1666","","","","","","1.05","","","","has coordinates","226711","2020-10-21","18:00:00",""
"4035246","7.5158","0.0005","9.9639","0.0006","11.753","0.001","97.417","0.006","103.743","0.007","93.605","0.005","843.78","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 B F5 N3 O S -","- C17 H13 B F5 N3 O S -","- C34 H26 B2 F10 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0306","0.029","","","0.0772","0.0784","","","","","","1.051","","","","has coordinates","226712","2020-10-21","18:00:00",""
"4035247","7.908","0.0001","7.908","0.0001","25.1636","0.0005","90","","90","","90","","1573.64","0.04","100","2","100","2","","","","","","","","7","P 41","P 4w","76","","","","- C16 H13 B F3 N3 O S -","- C16 H13 B F3 N3 O S -","- C64 H52 B4 F12 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0589","0.056","","","0.1403","0.1424","","","","","","1.099","","","","has coordinates","226713","2020-10-21","18:00:00",""
"4035248","17.2717","0.0008","10.711","0.0005","8.2114","0.0005","90","","96.983","0.004","90","","1507.82","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 B F2 N3 O S -","- C16 H14 B F2 N3 O S -","- C64 H56 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.1283","0.1052","","","0.2943","0.3059","","","","","","1.27","","","","has coordinates","226714","2020-10-21","18:00:00",""
"4035249","10.9704","0.0003","6.5342","0.0002","23.6337","0.0007","90","","101.584","0.002","90","","1659.62","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-1-(9-phenyl-4-oxa-1,3-diaza-bicyclo[3.3.1]non-3-yl)-ethanone","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Berti, Francesco; Menichetti, Andrea; Favero, Lucilla; Marchetti, Fabio; Pineschi, Mauro","Regio- and Stereodivergent Allylic Reductions of Bicyclic Piperidine Enecarbamate Derivatives.","The Journal of organic chemistry","2018","83","19","12221","12228","10.1021/acs.joc.8b01601","","","0.71073","MoKα","","0.0682","0.0451","","","0.1249","0.1427","","","","","","1.015","","","","has coordinates","226715","2020-10-21","18:00:00",""
"4035250","9.6314","0.0004","13","0.0007","13.9519","0.0008","90","","90","","90","","1746.89","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl N O2 -","- C16 H24 Cl N O2 -","- C64 H96 Cl4 N4 O8 -","4","1","","Jian, Jia-Hong; Hsu, Chih-Lung; Syu, Jin-Fong; Kuo, Ting-Shen; Tsai, Ming-Kang; Wu, Ping-Yu; Wu, Hsyueh-Liang","Access to β<sup>2</sup>-Amino Acids via Enantioselective 1,4-Arylation of β-Nitroacrylates Catalyzed by Chiral Rhodium Catalysts.","The Journal of organic chemistry","2018","83","19","12184","12191","10.1021/acs.joc.8b00586","","","0.71073","MoKα","","0.068","0.0425","","","0.0985","0.1183","","","","","","1.065","","","","has coordinates","226716","2020-10-21","18:00:00",""
"4035251","17.6648","0.0006","5.6836","0.0002","18.7544","0.0009","90","","115.841","0.002","90","","1694.66","0.12","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Jian, Jia-Hong; Hsu, Chih-Lung; Syu, Jin-Fong; Kuo, Ting-Shen; Tsai, Ming-Kang; Wu, Ping-Yu; Wu, Hsyueh-Liang","Access to β<sup>2</sup>-Amino Acids via Enantioselective 1,4-Arylation of β-Nitroacrylates Catalyzed by Chiral Rhodium Catalysts.","The Journal of organic chemistry","2018","83","19","12184","12191","10.1021/acs.joc.8b00586","","","0.71073","MoKα","","0.046","0.0341","","","0.0709","0.0761","","","","","","1.042","","","","has coordinates","226717","2020-10-21","18:00:00",""
"4035252","8.0971","0.0016","11.752","0.002","13.384","0.003","71.101","0.003","80.004","0.003","77.429","0.003","1168.7","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H19 Cl F3 I N2 O3 S -","- C23 H19 Cl F3 I N2 O3 S -","- C46 H38 Cl2 F6 I2 N4 O6 S2 -","2","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.71073","MoKα","","0.079","0.0614","","","0.1568","0.17","","","","","","1.011","","","","has coordinates,has disorder","226718","2020-10-21","18:00:00",""
"4035253","33.109","0.0015","10.3694","0.0005","5.8127","0.0003","90","","90","","90","","1995.62","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H19 I N2 O5 S -","- C20 H19 I N2 O5 S -","- C80 H76 I4 N8 O20 S4 -","4","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.71073","MoKα","","0.042","0.0343","","","0.0606","0.0625","","","","","","1.136","","","","has coordinates","226719","2020-10-21","18:00:00",""
"4035254","7.6828","0.0005","13.3501","0.001","13.1813","0.0009","90","","103.388","0.002","90","","1315.21","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 I N3 O3 -","- C13 H10 I N3 O3 -","- C52 H40 I4 N12 O12 -","4","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.71073","MoKα","","0.0354","0.0265","","","0.0563","0.0595","","","","","","1.043","","","","has coordinates","226720","2020-10-21","18:00:00",""
"4035255","7.98332","0.00012","12.0224","0.00018","13.58838","0.00015","71.1374","0.0012","75.6257","0.0011","73.3462","0.0013","1164.84","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H19 F3 I N3 O5 S -","- C23 H19 F3 I N3 O5 S -","- C46 H38 F6 I2 N6 O10 S2 -","2","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.7107","MoKα","","0.033","0.0296","","","0.0715","0.0725","","","","","","1.196","","","","has coordinates,has disorder","226721","2020-10-21","18:00:00",""
"4035256","5.8934","0.0001","9.8741","0.0002","17.8348","0.0003","90","","90","","90","","1037.84","0.03","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Kim, Hyeong Rae; Achary, Raghavendra; Lee, Hyeon-Kyu","DBU-Promoted Dynamic Kinetic Resolution in Rh-Catalyzed Asymmetric Transfer Hydrogenation of 5-Alkyl Cyclic Sulfamidate Imines: Stereoselective Synthesis of Functionalized 1,2-Amino Alcohols.","The Journal of organic chemistry","2018","83","19","11987","11999","10.1021/acs.joc.8b01892","","","0.71073","MoKα","","0.0388","0.0351","","","0.0975","0.1005","","","","","","1.009","","","","has coordinates","226722","2020-10-21","18:00:00",""
"4035257","8.78244","0.00012","10.0199","0.00014","18.3347","0.0002","90","","90","","90","","1613.44","0.04","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Ogawa, Yuya; Kato, Marina; Sasaki, Ikuo; Sugimura, Hideyuki","Total Synthesis of (+)-Pyrenolide D.","The Journal of organic chemistry","2018","83","19","12315","12319","10.1021/acs.joc.8b02003","","","1.54184","CuKα","","0.0329","0.0303","","","0.0865","0.0983","","","","","","1.136","","","","has coordinates","226723","2020-10-21","18:00:00",""
"4035258","5.9955","0.0001","13.9616","0.0002","27.0117","0.0005","90","","90","","90","","2261.06","0.06","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Cl N3 O6 S -","- C21 H26 Cl N3 O6 S -","- C84 H104 Cl4 N12 O24 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.0189","0.0188","","","0.0509","0.0512","","","","","","1.054","","","","has coordinates","226724","2020-10-21","18:00:00",""
"4035259","7.4329","0.0002","14.0813","0.0004","18.3821","0.0005","90","","90","","90","","1923.96","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N3 O6 S -","- C17 H25 N3 O6 S -","- C68 H100 N12 O24 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.0211","0.0207","","","0.0545","0.0552","","","","","","1.051","","","","has coordinates","226725","2020-10-21","18:00:00",""
"4035260","8.6172","0.0002","11.8985","0.0004","27.2367","0.0008","90","","90","","90","","2792.63","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O8 S -","- C26 H33 N3 O8 S -","- C104 H132 N12 O32 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.021","0.0208","","","0.0561","0.0562","","","","","","1.055","","","","has coordinates","226726","2020-10-21","18:00:00",""
"4035261","12.5226","0.0003","12.7446","0.0003","10.81","0.0002","90","","107.865","0.002","90","","1642.04","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0485","0.0463","","","0.125","0.1285","","","","","","1.029","","","","has coordinates","226727","2020-10-21","18:00:00",""
"4035262","8.6966","0.0002","12.4116","0.0004","21.1857","0.0007","90","","96.602","0.003","90","","2271.59","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","2","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.078","0.0568","","","0.1492","0.1637","","","","","","1.035","","","","has coordinates","226728","2020-10-21","18:00:00",""
"4035263","10.2371","0.0007","12.0551","0.0008","12.5051","0.0009","93.572","0.006","105.062","0.006","99.112","0.006","1462.73","0.18","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","2","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","0.71073","MoKα","","0.0681","0.0459","","","0.104","0.1202","","","","","","1.036","","","","has coordinates","226729","2020-10-21","18:00:00",""
"4035264","8.8038","0.0008","12.8773","0.0009","11.2318","0.001","90","","109.578","0.01","90","","1199.72","0.19","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","0.71073","MoKα","","0.0488","0.0394","","","0.099","0.1069","","","","","","1.039","","","","has coordinates","226730","2020-10-21","18:00:00",""
"4035265","7.0538","0.0007","8.4543","0.0007","8.3005","0.001","90","","99.725","0.01","90","","487.89","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O -","- C12 H13 N O -","- C24 H26 N2 O2 -","2","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","0.71073","MoKα","","0.0471","0.038","","","0.0747","0.0806","","","","","","1.093","","","","has coordinates","226731","2020-10-21","18:00:00",""
"4035266","4.0072","0.0001","22.2268","0.0005","12.2592","0.0003","90","","95.112","0.002","90","","1087.55","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0537","0.0521","","","0.1417","0.1441","","","","","","1.04","","","","has coordinates","226732","2020-10-21","18:00:00",""
"4035267","6.7283","0.0001","9.5441","0.0002","15.1689","0.0004","90","","90","","90","","974.08","0.04","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0392","0.0383","","","0.1001","0.1021","","","","","","1.05","","","","has coordinates","226733","2020-10-21","18:00:00",""
"4035268","13.9326","0.0003","31.3218","0.0006","7.6013","0.0001","90","","98.27","0.002","90","","3282.67","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O -","- C13 H15 N O -","- C156 H180 N12 O12 -","12","3","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0739","0.0576","","","0.1525","0.1634","","","","","","1.065","","","","has coordinates,has disorder","226734","2020-10-21","18:00:00",""
"4035269","9.3856","0.0003","12.211","0.0003","12.1822","0.0004","90","","108.645","0.004","90","","1322.9","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0872","0.0822","","","0.2368","0.2436","","","","","","1.058","","","","has coordinates,has disorder","226735","2020-10-21","18:00:00",""
"4035270","11.0667","0.0003","10.0284","0.0002","14.017","0.0003","90","","112.696","0.003","90","","1435.17","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O -","- C18 H21 N O -","- C72 H84 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0507","0.0466","","","0.1276","0.1315","","","","","","1.059","","","","has coordinates","226736","2020-10-21","18:00:00",""
"4035271","14.578","0.0004","12.8873","0.0003","23.6203","0.0006","90","","103.735","0.0012","90","","4310.68","0.19","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C232 H200 N8 O16 -","8","2","","Takeda, Takuya; Harada, Shinji; Okabe, Akito; Nishida, Atsushi","Cyclohepta[ b]indole Synthesis through [5 + 2] Cycloaddition: Bifunctional Indium(III)-Catalyzed Stereoselective Construction of 7-Membered Ring Fused Indoles.","The Journal of organic chemistry","2018","83","19","11541","11551","10.1021/acs.joc.8b01407","","","1.54187","CuKα","","0.1786","0.0982","","","0.2299","0.3115","","","","","","0.924","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4035272","20.435","0.0004","9.87597","0.00018","22.7727","0.0004","90","","90","","90","","4595.88","0.15","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H27 N O3 -","- C29 H27 N O3 -","- C232 H216 N8 O24 -","8","1","","Takeda, Takuya; Harada, Shinji; Okabe, Akito; Nishida, Atsushi","Cyclohepta[ b]indole Synthesis through [5 + 2] Cycloaddition: Bifunctional Indium(III)-Catalyzed Stereoselective Construction of 7-Membered Ring Fused Indoles.","The Journal of organic chemistry","2018","83","19","11541","11551","10.1021/acs.joc.8b01407","","","1.54187","CuKα","","0.1764","0.1193","","","0.271","0.364","","","","","","1.138","","","","has coordinates","226738","2020-10-21","18:00:00",""
"4035273","5.53904","0.00013","21.578","0.0005","14.5887","0.0004","90","","92.1946","0.0013","90","","1742.38","0.07","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Takeda, Takuya; Harada, Shinji; Okabe, Akito; Nishida, Atsushi","Cyclohepta[ b]indole Synthesis through [5 + 2] Cycloaddition: Bifunctional Indium(III)-Catalyzed Stereoselective Construction of 7-Membered Ring Fused Indoles.","The Journal of organic chemistry","2018","83","19","11541","11551","10.1021/acs.joc.8b01407","","","1.54187","CuKα","","0.069","0.0452","","","0.1033","0.1198","","","","","","1.083","","","","has coordinates","226739","2020-10-21","18:00:00",""
"4035274","6.8682","0.0002","9.621","0.0004","18.8039","0.0008","90","","90","","90","","1242.54","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Fang, Lizhen; Zhao, Fangfei; Hu, Shuyu; Han, Lili; Hu, Xiaojing; Wang, Mingyong; Sun, Qianqian; Wu, Huipan","Dynamic Kinetic Resolution for Construction of Three Transannular Stereocenters of Dihydrobenzofuranols.","The Journal of organic chemistry","2018","83","19","12213","12220","10.1021/acs.joc.8b01613","","x-ray","1.54184","CuKα","","0.0404","0.0376","","","0.0994","0.1024","","","","","","1.047","","","","has coordinates","226740","2020-10-21","18:00:00",""
"4035275","8.4116","0.0003","10.4562","0.0005","10.4805","0.0005","110.835","0.004","102.211","0.004","92.54","0.004","834.78","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N2 O P -","- C20 H15 N2 O P -","- C40 H30 N4 O2 P2 -","2","1","","Liu, Yan; Chen, Xiao-Lan; Zeng, Fan-Lin; Sun, Kai; Qu, Chen; Fan, Lu-Lu; An, Zi-Long; Li, Rui; Jing, Chun-Feng; Wei, Sheng-Kai; Qu, Ling-Bo; Yu, Bing; Sun, Yuan-Qiang; Zhao, Yu-Fen","Phosphorus Radical-Initiated Cascade Reaction To Access 2-Phosphoryl-Substituted Quinoxalines.","The Journal of organic chemistry","2018","83","19","11727","11735","10.1021/acs.joc.8b01657","","x-ray","0.71073","MoKα","","0.0381","0.0346","","","0.0879","0.0898","","","","","","1.0501","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4035276","8.6441","0.0002","14.53","0.0003","15.1708","0.0003","75.454","0.002","77.788","0.002","89.162","0.002","1801.13","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H35 N4 O4.5 P2 -","- C42 H35 N4 O4.5 P2 -","- C84 H70 N8 O9 P4 -","2","1","","Liu, Yan; Chen, Xiao-Lan; Zeng, Fan-Lin; Sun, Kai; Qu, Chen; Fan, Lu-Lu; An, Zi-Long; Li, Rui; Jing, Chun-Feng; Wei, Sheng-Kai; Qu, Ling-Bo; Yu, Bing; Sun, Yuan-Qiang; Zhao, Yu-Fen","Phosphorus Radical-Initiated Cascade Reaction To Access 2-Phosphoryl-Substituted Quinoxalines.","The Journal of organic chemistry","2018","83","19","11727","11735","10.1021/acs.joc.8b01657","","x-ray","1.54184","CuKα","","0.0519","0.0406","","","0.1012","0.1069","","","","","","1.054","","","","has coordinates","226742","2020-10-21","18:00:00",""
"4035277","17.2306","0.0004","12.4787","0.0004","17.0064","0.0005","90","","90.4","0.003","90","","3656.55","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N2 O2 P -","- C21 H17 N2 O2 P -","- C168 H136 N16 O16 P8 -","8","2","","Liu, Yan; Chen, Xiao-Lan; Zeng, Fan-Lin; Sun, Kai; Qu, Chen; Fan, Lu-Lu; An, Zi-Long; Li, Rui; Jing, Chun-Feng; Wei, Sheng-Kai; Qu, Ling-Bo; Yu, Bing; Sun, Yuan-Qiang; Zhao, Yu-Fen","Phosphorus Radical-Initiated Cascade Reaction To Access 2-Phosphoryl-Substituted Quinoxalines.","The Journal of organic chemistry","2018","83","19","11727","11735","10.1021/acs.joc.8b01657","","x-ray","1.54184","CuKα","","0.0752","0.057","","","0.1502","0.1662","","","","","","1.026","","","","has coordinates","226743","2020-10-21","18:00:00",""
"4035278","5.97007","0.00013","10.7499","0.0003","14.3987","0.0004","81.279","0.002","84.444","0.002","84.681","0.002","906.24","0.04","295.99","0.1","295.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C48 H34 N2 O6 -","2","1","","Guo, Shenghai; Sun, Lincong; Wang, Fang; Zhang, Xinying; Fan, Xuesen","Rh(III)-Catalyzed Oxidative Annulation of Isoquinolones with Diazoketoesters Featuring an in Situ Deacylation: Synthesis of Isoindoloisoquinolones and Their Transformation to Rosettacin Analogues.","The Journal of organic chemistry","2018","83","19","12034","12043","10.1021/acs.joc.8b01982","","x-ray","1.54184","CuKα","","0.049","0.0464","","","0.1211","0.1232","","","","","","1.044","","","","has coordinates","226744","2020-10-21","18:00:00",""
"4035279","10.1424","0.0012","10.9573","0.0013","19.058","0.002","90","","90","","90","","2118","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl F3 N2 O3 -","- C20 H20 Cl F3 N2 O3 -","- C80 H80 Cl4 F12 N8 O12 -","4","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0349","0.033","","","0.0865","0.0885","","","","","","1.028","","","","has coordinates","226745","2020-10-21","18:00:00",""
"4035280","28.603","0.007","8.1356","0.0019","10.639","0.002","90","","107.989","0.003","90","","2354.7","0.9","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H22 Br F3 N2 O5 -","- C22 H22 Br F3 N2 O5 -","- C88 H88 Br4 F12 N8 O20 -","4","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0634","0.0394","","","0.0937","0.1058","","","","","","1.008","","","","has coordinates","226746","2020-10-21","18:00:00",""
"4035281","9.3652","0.0017","10.803","0.002","11.038","0.002","90","","102.554","0.002","90","","1090","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H21 Br F2 N2 O3 -","- C23 H21 Br F2 N2 O3 -","- C46 H42 Br2 F4 N4 O6 -","2","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0645","0.0441","","","0.11","0.1223","","","","","","1.011","","","","has coordinates","226747","2020-10-21","18:00:00",""
"4035282","20.0368","0.0003","20.0368","0.0003","12.7561","0.0002","90","","90","","120","","4435.12","0.12","100","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C28 H33 N O7 -","- C28 H33 N O7 -","- C168 H198 N6 O42 -","6","1","","Zhou, Ming; Zhou, Jia; Liu, Junjun; Liang, Jing-Jing; Peng, Xiao-Gang; Duan, Fang-Fang; Ruan, Han-Li","Parasubindoles A-G, Seven Eremophilanyl Indoles from the Whole Plant of Parasenecio albus.","The Journal of organic chemistry","2018","83","19","12122","12128","10.1021/acs.joc.8b02089","","","1.54178","CuKα","","0.0812","0.076","","","0.1947","0.2023","","","","","","0.976","","","","has coordinates,has disorder","226748","2020-10-21","18:00:00",""
"4035283","28.146","0.01","28.146","0.01","9.275","0.007","90","","90","","120","","6363","6","273","2","273","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C306 H198 Cl18 N36 -","18","1","","Wang, Zi-Xuan; Xiang, Jia-Chen; Cheng, Yan; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","Direct Biomimetic Synthesis of β-Carboline Alkaloids from Two Amino Acids.","The Journal of organic chemistry","2018","83","19","12247","12254","10.1021/acs.joc.8b01668","","","0.71073","MoKα","","0.0952","0.0534","","","0.1543","0.1802","","","","","","1.026","","","","has coordinates","226749","2020-10-21","18:00:00",""
"4035284","9.2983","0.0019","9.5365","0.0019","10.425","0.002","107.87","0.03","104.21","0.03","109.44","0.03","764.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C36 H30 Br2 O4 -","2","1","","Qi, Chaorong; Peng, Youbin; Wang, Lu; Ren, Yanwei; Jiang, Huanfeng","Copper-Catalyzed [2 + 3] Cyclization of α-Hydroxyl Ketones and Arylacetonitriles: Access to Multisubstituted Butenolides and Oxazoles.","The Journal of organic chemistry","2018","83","19","11926","11935","10.1021/acs.joc.8b01822","","","0.71073","MoKα","","0.088","0.0558","","","0.1499","0.1873","","","","","","1.005","","","","has coordinates","226750","2020-10-21","18:00:00",""
"4035285","8.7532","0.0003","9.7766","0.0003","11.3827","0.0003","90","","90","","90","","974.09","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F2 N O -","- C11 H11 F2 N O -","- C44 H44 F8 N4 O4 -","4","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0361","0.0327","","","0.0801","0.0827","","","","","","1.071","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035286","6.9994","0.0003","10.6106","0.0005","7.0797","0.0003","90","","99.157","0.004","90","","519.09","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H9 F2 N O3 -","- C11 H9 F2 N O3 -","- C22 H18 F4 N2 O6 -","2","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0328","0.0309","","","0.0767","0.0784","","","","","","1.066","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035287","6.9511","0.0002","14.8231","0.0006","18.5823","0.0007","90","","90","","90","","1914.66","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 F2 N2 O4 -","- C21 H18 F2 N2 O4 -","- C84 H72 F8 N8 O16 -","4","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0619","0.054","","","0.1246","0.1341","","","","","","1.104","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035288","8.1579","0.0007","9.1776","0.0008","12.6068","0.0007","89.277","0.006","80.133","0.006","68.721","0.008","865.25","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 F3 N2 O2 -","- C20 H17 F3 N2 O2 -","- C40 H34 F6 N4 O4 -","2","1","","Koronatov, Alexander N.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Rh(II)-Catalyzed Ring Expansion of Pyrazoles with Diazocarbonyl Compounds as a Method for the Preparation of 1,2-Dihydropyrimidines.","The Journal of organic chemistry","2018","83","16","9210","9219","10.1021/acs.joc.8b01228","","","0.71073","MoKα","","0.0479","0.0399","","","0.0949","0.1025","","","","","","1.029","","","","has coordinates","226752","2020-10-21","18:00:00",""
"4035289","8.3394","0.0007","8.791","0.0007","22.1495","0.0018","90","","90","","90","","1623.8","0.2","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O -","- C19 H28 N2 O -","- C76 H112 N8 O4 -","4","1","","DeForest, Jacob C.; Samame, Renzo A.; Suryn, Gregory; Burtea, Alexander; Rychnovsky, Scott D.","Second-Generation Synthesis of (+)-Fastigiatine Inspired by Conformational Studies.","The Journal of organic chemistry","2018","83","16","8914","8925","10.1021/acs.joc.8b01144","","","0.71073","MoKα","","0.0363","0.0334","","","0.0839","0.0865","","","","","","1.048","","","","has coordinates","226753","2020-10-21","18:00:00",""
"4035290","4.957","0.0008","14.3567","0.0019","19.457","0.003","90","","90","","90","","1384.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 F N O2 -","- C18 H11 F N O2 -","- C72 H44 F4 N4 O8 -","4","1","","Choudhary, Sachin; Pawar, Amol Prakash; Yadav, Jyothi; Sharma, Devinder Kumar; Kant, Rajni; Kumar, Indresh","One-Pot Synthesis of Chiral Tetracyclic Dibenzo[ b, f][1,4]oxazepine-Fused 1,2-Dihydropyridines (DHPs) under Metal-Free Conditions.","The Journal of organic chemistry","2018","83","16","9231","9239","10.1021/acs.joc.8b01232","","","0.71073","MoKα","","0.226","0.1279","","","0.2552","0.323","","","","","","1.057","","","","has coordinates","226754","2020-10-21","18:00:00",""
"4035291","8.5723","0.0005","7.0541","0.0004","10.5423","0.0005","90","","103.424","0.006","90","","620.07","0.06","298.2","","298.2","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C12 H14 N6 -","- C12 H14 N6 -","- C24 H28 N12 -","2","0.5","","Pathare, Ramdas S.; Ansari, Arshad J.; Verma, Sarika; Maurya, Anand; Maurya, Antim K.; Agnihotri, Vijai K.; Sharon, Ashoke; Pardasani, Ram T.; Sawant, Devesh M.","Sequential Pd(0)/Fe(III) Catalyzed Azide-Isocyanide Coupling/Cyclization Reaction: One-Pot Synthesis of Aminotetrazoles.","The Journal of organic chemistry","2018","83","16","9530","9537","10.1021/acs.joc.8b01261","","x-ray","0.71073","MoKα","","0.1123","0.0708","","","0.1991","0.2566","","","","","","1.044","","","","has coordinates,has disorder","226755","2020-10-21","18:00:00",""
"4035292","12.4879","0.0008","9.0357","0.0005","11.6782","0.0008","90","","106.091","0.007","90","","1266.11","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetrazol","N-(tert-butyl)-1-(2-chlorophenyl)-1H-tetrazol-5-amine","","- C11 H14 Cl N5 -","- C11 H14 Cl N5 -","- C44 H56 Cl4 N20 -","4","1","","Pathare, Ramdas S.; Ansari, Arshad J.; Verma, Sarika; Maurya, Anand; Maurya, Antim K.; Agnihotri, Vijai K.; Sharon, Ashoke; Pardasani, Ram T.; Sawant, Devesh M.","Sequential Pd(0)/Fe(III) Catalyzed Azide-Isocyanide Coupling/Cyclization Reaction: One-Pot Synthesis of Aminotetrazoles.","The Journal of organic chemistry","2018","83","16","9530","9537","10.1021/acs.joc.8b01261","","","0.71073","MoKα","","0.0524","0.0414","","","0.1027","0.1103","","","","","","1.044","","","","has coordinates","226756","2020-10-21","18:00:00",""
"4035293","10.9158","0.0004","12.3528","0.0004","13.1488","0.0005","96.328","0.003","104.212","0.003","92.839","0.003","1702.85","0.11","139.3","0.3","139.3","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 B F2 N2 -","- C44 H31 B F2 N2 -","- C88 H62 B2 F4 N4 -","2","1","","Yang, Xiuguang; Jiang, Linfeng; Yang, Mufan; Zhang, Huaxing; Lan, Jingbo; Zhou, Fulin; Chen, Xingyu; Wu, Di; You, Jingsong","Pd-Catalyzed Direct C-H Functionalization/Annulation of BODIPYs with Alkynes to Access Unsymmetrical Benzo[ b]-Fused BODIPYs: Discovery of Lysosome-Targeted Turn-On Fluorescent Probes.","The Journal of organic chemistry","2018","83","16","9538","9546","10.1021/acs.joc.8b01239","","x-ray","1.54184","CuKα","","0.0616","0.0536","","","0.1506","0.16","","","","","","1.028","","","","has coordinates","226757","2020-10-21","18:00:00",""
"4035294","6.817","0.004","7.077","0.004","15.985","0.009","90","","101.96","0.007","90","","754.4","0.7","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N5 O3 -","- C16 H15 N5 O3 -","- C32 H30 N10 O6 -","2","1","","Bala, Saikat; Liao, Jen-Yu; Zhang, Li; Tran, Chantel N.; Chim, Nicholas; Chaput, John C.","Synthesis of 2'-Deoxy-α-l-threofuranosyl Nucleoside Triphosphates.","The Journal of organic chemistry","2018","83","16","8840","8850","10.1021/acs.joc.8b00875","","","0.71073","MoKα","","0.0324","0.0311","","","0.0791","0.0801","","","","","","1.048","","","","has coordinates","226758","2020-10-21","18:00:00",""
"4035295","18.3046","0.0018","13.3125","0.0013","4.6946","0.0005","90","","90","","90","","1144","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Festa, Alexey A.; Zalte, Rajesh R.; Golantsov, Nikita E.; Varlamov, Alexey V.; Van der Eycken, Erik V.; Voskressensky, Leonid G.","DBU-Catalyzed Alkyne-Imidate Cyclization toward 1-Alkoxypyrazino[1,2- a]indole Synthesis.","The Journal of organic chemistry","2018","83","16","9305","9311","10.1021/acs.joc.8b01279","","","0.71073","MoKα","","0.0595","0.0456","","","0.1009","0.1097","","","","","","1.033","","","","has coordinates","226759","2020-10-21","18:00:00",""
"4035296","11.4544","0.0002","9.3869","0.0002","12.7713","0.0003","90","","115.08","0.001","90","","1243.72","0.05","302","2","301.72","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N3 O2 -","- C30 H27 N3 O2 -","- C60 H54 N6 O4 -","2","1","","Li, Can; Xu, Dan-Ni; Ma, Chun; Mei, Guang-Jian; Shi, Feng","Diastereo- and Enantioselective Construction of Dihydrobenzo[ e]indole Scaffolds via Catalytic Asymmetric [3 + 2] Cycloannulations.","The Journal of organic chemistry","2018","83","16","9190","9200","10.1021/acs.joc.8b01217","","","1.34139","GaKα","","0.0576","0.0491","","","0.106","0.1128","","","","","","1.1","","","","has coordinates,has disorder","226760","2020-10-21","18:00:00",""
"4035297","15.4128","0.0008","15.3848","0.0008","16.322","0.0008","90","","111.557","0.002","90","","3599.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H12 B2 F18 O S4 -","- C34 H12 B2 F18 O S4 -","- C136 H48 B8 F72 O4 S16 -","4","1","","Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun","An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization.","The Journal of organic chemistry","2018","83","16","9096","9102","10.1021/acs.joc.8b01188","","","0.71073","MoKα","","0.0482","0.0408","","","0.0998","0.1059","","","","","","1.031","","","","has coordinates,has disorder","226761","2020-10-21","18:00:00",""
"4035298","9.2316","0.0003","24.672","0.0008","32.5936","0.001","90","","90","","90","","7423.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H16 B2 F18 O S2 -","- C38 H16 B2 F18 O S2 -","- C304 H128 B16 F144 O8 S16 -","8","1","","Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun","An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization.","The Journal of organic chemistry","2018","83","16","9096","9102","10.1021/acs.joc.8b01188","","","0.71073","MoKα","","0.0642","0.0526","","","0.1409","0.1534","","","","","","1.028","","","","has coordinates,has disorder","226762","2020-10-21","18:00:00",""
"4035299","11.7222","0.0005","15.869","0.0006","17.8469","0.0007","90","","107.107","0.001","90","","3173","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H6 B2 Br2 F18 O S2 -","- C26 H6 B2 Br2 F18 O S2 -","- C104 H24 B8 Br8 F72 O4 S8 -","4","1","","Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun","An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization.","The Journal of organic chemistry","2018","83","16","9096","9102","10.1021/acs.joc.8b01188","","","0.71073","MoKα","","0.0719","0.048","","","0.115","0.1329","","","","","","1.02","","","","has coordinates,has disorder","226763","2020-10-21","18:00:00",""
"4035300","9.918","0.0004","9.8167","0.0004","12.7446","0.0005","90","","99.023","0.002","90","","1225.49","0.09","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl2 F6 N3 O2 S -","- C20 H23 Cl2 F6 N3 O2 S -","- C40 H46 Cl4 F12 N6 O4 S2 -","2","1","","Elías-Rodríguez, Pilar; Pingitore, Valeria; Carmona, Ana T.; Moreno-Vargas, Antonio J; Ide, Daisuke; Miyawaki, Shota; Kato, Atsushi; Álvarez, Eleuterio; Robina, Inmaculada","Discovery of a Potent α-Galactosidase Inhibitor by in Situ Analysis of a Library of Pyrrolizidine-(Thio)urea Hybrid Molecules Generated via Click Chemistry.","The Journal of organic chemistry","2018","83","16","8863","8873","10.1021/acs.joc.8b01073","","","0.71073","MoKα","","0.0514","0.0494","","","0.1448","0.1465","","","","","","1.047","","","","has coordinates,has disorder","226765","2020-10-21","18:00:00",""
"4035301","12.9162","0.0004","31.0699","0.001","5.8565","0.0002","90","","90","","90","","2350.24","0.13","193","2","193","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C19 H22 Cl F6 N3 O2 S -","- C19 H22 Cl F6 N3 O2 S -","- C76 H88 Cl4 F24 N12 O8 S4 -","4","1","","Elías-Rodríguez, Pilar; Pingitore, Valeria; Carmona, Ana T.; Moreno-Vargas, Antonio J; Ide, Daisuke; Miyawaki, Shota; Kato, Atsushi; Álvarez, Eleuterio; Robina, Inmaculada","Discovery of a Potent α-Galactosidase Inhibitor by in Situ Analysis of a Library of Pyrrolizidine-(Thio)urea Hybrid Molecules Generated via Click Chemistry.","The Journal of organic chemistry","2018","83","16","8863","8873","10.1021/acs.joc.8b01073","","","0.71073","MoKα","","0.0599","0.0554","","","0.1344","0.1369","","","","","","1.15","","","","has coordinates","226765","2020-10-21","18:00:00",""
"4035302","15.9861","0.0005","22.1765","0.0007","22.9883","0.0008","90","","98.546","0.003","90","","8059.2","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H105 N4 O4 Pd2 -","- C91 H105 N4 O4 Pd2 -","- C364 H420 N16 O16 Pd8 -","4","1","","P, Sreejyothi; Sau, Samaresh Chandra; Vardhanapu, Pavan K.; Mandal, Swadhin K.","Halo-Bridged Abnormal NHC Palladium(II) Dimer for Catalytic Dehydrogenative Cross-Coupling Reactions of Heteroarenes.","The Journal of organic chemistry","2018","83","16","9403","9411","10.1021/acs.joc.8b01053","","","0.71073","MoKα","","0.1605","0.0708","","","0.158","0.2138","","","","","","1.04","","","","has coordinates","226766","2020-10-21","18:00:00",""
"4035303","9.6495","0.0003","15.4042","0.0004","22.5104","0.0006","107.095","0.002","99.206","0.002","98.222","0.002","3092.28","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O6 -","- C17 H15 N O6 -","- C136 H120 N8 O48 -","8","4","","Satham, Lakshminarayana; Namboothiri, Irishi N. N.","(3 + 3) Annulation of Nitroallylic Acetates with Stabilized Sulfur Ylides for the Synthesis of 2-Aryl Terephthalates.","The Journal of organic chemistry","2018","83","16","9471","9477","10.1021/acs.joc.8b00917","","x-ray","0.71073","MoKα","","0.0816","0.0537","","","0.1593","0.193","","","","","","1.043","","","","has coordinates","226767","2020-10-21","18:00:00",""
"4035304","6.463","0.004","25.511","0.011","15.188","0.008","90","","98.83","0.03","90","","2474","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl6 N2 O3 -","- C23 H22 Cl6 N2 O3 -","- C92 H88 Cl24 N8 O12 -","4","1","","Regar, Ramprasad; Mishra, Ruchika; Mondal, Pradip Kumar; Sankar, Jeyaraman","Metal-free Annulation at the Ortho- and Bay-Positions of Perylene Bisimide Leading to Lateral π-Extension with Strong NIR Absorption.","The Journal of organic chemistry","2018","83","16","9547","9552","10.1021/acs.joc.8b01303","","","0.71073","MoKα","","0.27","0.0997","","","0.1518","0.1999","","","","","","0.999","","","","has coordinates","226768","2020-10-21","18:00:00",""
"4035305","14.6326","0.001","15.7476","0.0011","17.794","0.0014","103.712","0.004","97.16","0.004","109.753","0.003","3653.8","0.5","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Cl2 N4 O4 -","- C44 H44 Cl2 N4 O4 -","- C176 H176 Cl8 N16 O16 -","4","2","","Regar, Ramprasad; Mishra, Ruchika; Mondal, Pradip Kumar; Sankar, Jeyaraman","Metal-free Annulation at the Ortho- and Bay-Positions of Perylene Bisimide Leading to Lateral π-Extension with Strong NIR Absorption.","The Journal of organic chemistry","2018","83","16","9547","9552","10.1021/acs.joc.8b01303","","","0.71073","MoKα","","0.1817","0.1047","","","0.2466","0.2772","","","","","","1.06","","","","has coordinates","226769","2020-10-21","18:00:00",""
"4035306","7.3093","0.0015","8.79","0.0018","10.723","0.002","104.2","0.03","97.61","0.03","94.71","0.03","657.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C32 H24 N4 O6 -","2","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.057","0.0429","","","0.0625","0.0631","","","","","","2.94","","","","has coordinates","226770","2020-10-21","18:00:00",""
"4035307","8.0848","0.0006","11.6383","0.0011","13.0505","0.001","90","","90.708","0.007","90","","1227.87","0.18","295.66","0.1","295.66","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.079","0.0483","","","0.098","0.117","","","","","","1.061","","","","has coordinates","226771","2020-10-21","18:00:00",""
"4035308","14.5199","0.0016","8.9603","0.0009","26.373","0.002","90","","95.697","0.01","90","","3414.2","0.6","294.99","0.1","294.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C176 H128 N16 O16 -","8","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1436","0.0591","","","0.1123","0.1651","","","","","","0.976","","","","has coordinates","226772","2020-10-21","18:00:00",""
"4035309","9.7816","0.0009","9.7843","0.001","9.9643","0.0007","85.321","0.007","76.276","0.007","68.418","0.009","861.45","0.15","294.99","0.1","294.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O3 -","- C22 H16 N2 O3 -","- C44 H32 N4 O6 -","2","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1007","0.0535","","","0.1059","0.1348","","","","","","1.046","","","","has coordinates","226773","2020-10-21","18:00:00",""
"4035310","11.5098","0.0011","7.8907","0.0008","18.8395","0.0017","90","","93.993","0.009","90","","1706.9","0.3","295.66","0.1","295.66","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O3 -","- C22 H16 N2 O3 -","- C88 H64 N8 O12 -","4","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1315","0.0595","","","0.1004","0.1405","","","","","","1.043","","","","has coordinates","226774","2020-10-21","18:00:00",""
"4035311","8.8381","0.0008","10.2546","0.0011","16.1701","0.0019","90","","99.358","0.01","90","","1446","0.3","294.71","0.1","294.71","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1139","0.0553","","","0.1065","0.1346","","","","","","1.021","","","","has coordinates","226775","2020-10-21","18:00:00",""
"4035312","3.9658","0.0003","17.1192","0.0013","12.3386","0.0011","90","","92.913","0.008","90","","836.6","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N3 S -","- C8 H9 N3 S -","- C32 H36 N12 S4 -","4","1","","Yu, Wentao; Huang, Yubing; Li, Jianxiao; Tang, Xiaodong; Wu, Wanqing; Jiang, Huanfeng","Copper-Catalyzed Aerobic Oxidative [3+2] Annulation for the Synthesis of 5-Amino/Imino-Substituted 1,2,4-Thiadiazoles through C-N/N-S Bond Formation.","The Journal of organic chemistry","2018","83","16","9334","9343","10.1021/acs.joc.8b01292","","x-ray","0.71073","MoKα","","0.0507","0.0421","","","0.0893","0.0932","","","","","","1.09","","","","has coordinates","226776","2020-10-21","18:00:00",""
"4035313","9.6425","0.001","12.1438","0.0014","20.772","0.002","90","","90","","90","","2432.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Cl2 N2 O7 -","- C24 H22 Cl2 N2 O7 -","- C96 H88 Cl8 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.1162","0.0449","","","0.099","0.1287","","","","","","0.992","","","","has coordinates","226777","2020-10-21","18:00:00",""
"4035314","9.6537","0.0004","10.4079","0.0004","23.45","0.0009","90","","90","","90","","2356.13","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl N2 O7 -","- C24 H23 Cl N2 O7 -","- C96 H92 Cl4 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.0375","0.0313","","","0.0824","0.0873","","","","","","1.065","","","","has coordinates","226778","2020-10-21","18:00:00",""
"4035315","9.9064","0.0007","14.4276","0.001","16.9123","0.0011","90","","90","","90","","2417.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N2 O7 -","- C23 H27 Cl N2 O7 -","- C92 H108 Cl4 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.0547","0.0353","","","0.0828","0.0938","","","","","","1.029","","","","has coordinates","226779","2020-10-21","18:00:00",""
"4035316","6.1542","0.0007","11.9256","0.0012","12.317","0.0014","109.823","0.004","98.135","0.004","104.068","0.004","799.68","0.16","276","2","276","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N S -","- C21 H15 N S -","- C42 H30 N2 S2 -","2","1","","Ma, Yong-Gang; Huang, Meng-Qiao; Liu, Zhenhua; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of Substituted 4 H-Thiochromen-4-imines via Copper-Catalyzed Cyclization Cascades of o-Bromobenzothioamides with Terminal Alkynes.","The Journal of organic chemistry","2018","83","16","9504","9509","10.1021/acs.joc.8b01180","","","0.71073","MoKα","","0.1483","0.0685","","","0.1056","0.1258","","","","","","1.05","","","","has coordinates","226780","2020-10-21","18:00:00",""
"4035317","6.7516","0.0003","11.9488","0.0005","15.6306","0.0007","90","","90","","90","","1260.98","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Uemura, Naohiro; Toyoda, Seiya; Ishikawa, Hiroki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Asymmetric Diels-Alder Reaction Involving Dynamic Enantioselective Crystallization.","The Journal of organic chemistry","2018","83","16","9300","9304","10.1021/acs.joc.8b01273","","","1.54178","CuKα","","0.0464","0.0463","","","0.1263","0.1263","","","","","","1.114","","","","has coordinates","226781","2020-10-21","18:00:00",""
"4035318","12.7547","0.0017","11.3387","0.0015","16.8","0.002","90","","90","","90","","2429.6","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Uemura, Naohiro; Toyoda, Seiya; Ishikawa, Hiroki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Asymmetric Diels-Alder Reaction Involving Dynamic Enantioselective Crystallization.","The Journal of organic chemistry","2018","83","16","9300","9304","10.1021/acs.joc.8b01273","","","0.71073","","","0.08","0.045","","","0.1001","0.1121","","","","","","0.968","","","","has coordinates","226782","2020-10-21","18:00:00",""
"4035319","19.817","0.003","8.0545","0.001","13.0062","0.0016","90","","90.266","0.01","90","","2076","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Wang, Xiaoxia; Li, Jianyong; Yuan, Ting; You, Bingxin; Xie, Guanqun; Lv, Xin","Additive Tuned Selective Synthesis of Bicyclo[3.3.0]octan-1-ols and Bicyclo[3.1.0]hexan-1-ols Mediated by AllylSmBr.","The Journal of organic chemistry","2018","83","16","8984","8994","10.1021/acs.joc.8b01170","","","0.71073","MoKα","","0.1457","0.0641","","","0.1515","0.1881","","","","","","0.927","","","","has coordinates","226783","2020-10-21","18:00:00",""
"4035320","13.0228","0.0004","5.7","0.0002","22.0772","0.0008","90","","95.706","0.0019","90","","1630.67","0.1","123","","123","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C20 H18 F4 -","- C20 H18 F4 -","- C80 H72 F16 -","4","1","","Iwasaki, Takanori; Min, Xin; Fukuoka, Asuka; Zhu, Longzhi; Qiu, Renhua; Yang, Tao; Ehara, Masahiro; Sudalai, Arumugam; Kambe, Nobuaki","Ni-Catalyzed Dimerization and Hydroperfluoroarylation of 1,3-Dienes.","The Journal of organic chemistry","2018","83","16","9267","9277","10.1021/acs.joc.8b01266","","","1.54187","CuKα","","0.1354","0.1007","","","0.2756","0.321","","","","","","1.116","","","","has coordinates","226784","2020-10-21","18:00:00",""
"4035321","13.75","0.003","8.4604","0.0017","15.96","0.003","90","","98.479","0.002","90","","1836.3","0.6","571","2","571.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O3 S2 -","- C18 H20 O3 S2 -","- C72 H80 O12 S8 -","4","1","","Huang, Shuai; Thirupathi, Nuligonda; Tung, Chen-Ho; Xu, Zhenghu","Copper-Catalyzed Oxidative Trifunctionalization of Olefins: An Access to Functionalized β-Keto Thiosulfones.","The Journal of organic chemistry","2018","83","16","9449","9455","10.1021/acs.joc.8b01161","","","0.71073","MoKα","","0.0509","0.0378","","","0.0937","0.1059","","","","","","1.088","","","","has coordinates","226785","2020-10-21","18:00:00",""
"4035322","7.9251","0.0007","9.4318","0.0009","22.324","0.002","90","","90","","90","","1668.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Brewster, 2nd, James T; Zafar, Hadiqa; McVeigh, Matthew; Wight, Christopher D.; Anguera, Gonzalo; Steinbrück, Axel; Lynch, Vincent M.; Sessler, Jonathan L.","Gram-Scale Synthesis of a Bench-Stable 5,5″-Unsubstituted Terpyrrole.","The Journal of organic chemistry","2018","83","16","9568","9570","10.1021/acs.joc.8b01333","","","0.71073","MoKα","","0.0521","0.0386","","","0.0772","0.082","","","","","","1.034","","","","has coordinates","226786","2020-10-21","18:00:00",""
"4035323","9.8775","0.0008","15.4447","0.0013","11.7776","0.001","90","","94.832","0.002","90","","1790.3","0.3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Br N2 O3 S -","- C18 H21 Br N2 O3 S -","- C72 H84 Br4 N8 O12 S4 -","4","1","","Barát, Viktor; Csókás, Dániel; Bates, Roderick W.","Synthesis of (-)-Cytisine Using a 6- endo aza-Michael Addition.","The Journal of organic chemistry","2018","83","16","9088","9095","10.1021/acs.joc.8b01156","","","0.71073","MoKα","","0.099","0.0592","","","0.1122","0.1245","","","","","","1.167","","","","has coordinates,has disorder","226787","2020-10-21","18:00:00",""
"4035324","10.2525","0.0003","11.9028","0.0003","16.368","0.0005","90","","90","","90","","1997.44","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br I N2 O3 -","- C20 H18 Br I N2 O3 -","- C80 H72 Br4 I4 N8 O12 -","4","1","","Barát, Viktor; Csókás, Dániel; Bates, Roderick W.","Synthesis of (-)-Cytisine Using a 6- endo aza-Michael Addition.","The Journal of organic chemistry","2018","83","16","9088","9095","10.1021/acs.joc.8b01156","","","0.71073","MoKα","","0.0838","0.0455","","","0.056","0.0653","","","","","","1.006","","","","has coordinates","226788","2020-10-21","18:00:00",""
"4035325","12.5595","0.0005","22.6599","0.0009","13.5242","0.0005","90","","116.048","0.002","90","","3458","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 N2 O2 -","- C37 H48 N2 O2 -","- C148 H192 N8 O8 -","4","1","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.1496","0.0672","","","0.1384","0.1756","","","","","","1.013","","","","has coordinates,has disorder","226789","2020-10-21","18:00:00",""
"4035326","9.1165","0.0001","17.6729","0.0002","16.5085","0.0002","90","","94.4057","0.0007","90","","2651.91","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Cl2 N4 O2 -","- C29 H24 Cl2 N4 O2 -","- C116 H96 Cl8 N16 O8 -","4","1","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.0728","0.0447","","","0.1098","0.1251","","","","","","1.038","","","","has coordinates","226790","2020-10-21","18:00:00",""
"4035327","16.5113","0.0004","18.4826","0.0004","31.1034","0.0007","90","","90","","90","","9491.9","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Cl4 N2 -","- C32 H36 Cl4 N2 -","- C384 H432 Cl48 N24 -","12","3","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.0757","0.0437","","","0.0838","0.0983","","","","","","1.035","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4035328","9.4282","0.0001","14.6095","0.0002","23.4717","0.0003","90","","99.2723","0.0007","90","","3190.78","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 Cl2 N2 O3 -","- C33 H36 Cl2 N2 O3 -","- C132 H144 Cl8 N8 O12 -","4","1","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.0942","0.0595","","","0.1656","0.1905","","","","","","1.061","","","","has coordinates,has disorder","226792","2020-10-21","18:00:00",""
"4035329","10.9887","0.0004","21.4189","0.001","19.5842","0.0008","90","","104.087","0.004","90","","4470.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 Cl2 N3 Pd -","- C50 H61 Cl2 N3 Pd -","- C200 H244 Cl8 N12 Pd4 -","4","1","","Huang, Fei-Dong; Xu, Chang; Lu, Dong-Dong; Shen, Dong-Sheng; Li, Tian; Liu, Feng-Shou","Pd-PEPPSI-IPent<sup>An</sup> Promoted Deactivated Amination of Aryl Chlorides with Amines under Aerobic Conditions.","The Journal of organic chemistry","2018","83","16","9144","9155","10.1021/acs.joc.8b01205","","","0.71073","MoKα","","0.0707","0.0641","","","0.1419","0.1463","","","","","","1.032","","","","has coordinates,has disorder","226793","2020-10-21","18:00:00",""
"4035330","6.7763","0.0009","8.5591","0.0007","13.2125","0.0014","95.469","0.008","100.076","0.01","99.918","0.009","736.97","0.14","100","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H8 F3 N5 -","- C17 H8 F3 N5 -","- C34 H16 F6 N10 -","2","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","0.71073","MoKα","","0.0559","0.0485","","","0.1228","0.1291","","","","","","1.006","","","","has coordinates","226794","2020-10-21","18:00:00",""
"4035331","12.1586","0.0007","6.2942","0.0004","20.7512","0.0012","90","","95.028","0.005","90","","1581.95","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H8 F5 N3 O -","- C19 H8 F5 N3 O -","- C76 H32 F20 N12 O4 -","4","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","1.54184","CuKα","","0.0918","0.0585","","","0.156","0.2158","","","","","","1.081","","","","has coordinates","226795","2020-10-21","18:00:00",""
"4035332","9.7769","0.0007","27.14","0.003","6.6499","0.0007","90","","106.914","0.009","90","","1688.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H6 F3 N7 S -","- C17 H6 F3 N7 S -","- C68 H24 F12 N28 S4 -","4","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","1.54184","CuKα","","0.1245","0.0715","","","0.1844","0.2159","","","","","","0.94","","","","has coordinates","226796","2020-10-21","18:00:00",""
"4035333","15.4804","0.0004","7.6884","0.0002","20.7339","0.0006","90","","90","","90","","2467.74","0.12","100.3","0.4","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 F3 N3 O -","- C14 H8 F3 N3 O -","- C112 H64 F24 N24 O8 -","8","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","1.54184","CuKα","","0.0396","0.0366","","","0.1002","0.1035","","","","","","1.106","","","","has coordinates","226797","2020-10-21","18:00:00",""
"4035334","10.8651","0.0007","13.3406","0.0009","14.6164","0.001","90","","90","","90","","2118.6","0.2","173","","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O8 -","- C24 H24 O8 -","- C96 H96 O32 -","4","1","","Tsukamoto, Hirokazu; Hanada, Shogo; Nomura, Yumi; Doi, Takayuki","Total Synthesis of Spiromamakone A and Structure Revision of Spiropreussione A.","The Journal of organic chemistry","2018","83","16","9430","9441","10.1021/acs.joc.8b01075","","","0.71075","MoKα","","0.0639","0.0492","","","0.104","0.1175","","","","","","1.228","","","","has coordinates","226798","2020-10-21","18:00:00",""
"4035335","9.5614","0.0009","23.1922","0.0014","10.6309","0.0009","90","","114.258","0.011","90","","2149.3","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F2 O2 -","- C11 H18 F2 O2 -","- C88 H144 F16 O16 -","8","2","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.1011","0.0623","","","0.1565","0.1688","","","","","","0.947","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035336","8.1651","0.0004","8.2944","0.0004","22.5849","0.001","90","","90","","90","","1529.55","0.13","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H12 F2 O2 -","- C7 H12 F2 O2 -","- C56 H96 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.0464","0.0371","","","0.0859","0.0927","","","","","","1.06","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035337","23.884","0.003","7.4165","0.0011","10.908","0.0015","90","","94.654","0.013","90","","1925.8","0.5","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 F2 O2 -","- C9 H16 F2 O2 -","- C72 H128 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.0544","0.0437","","","0.1121","0.1223","","","","","","1.057","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035338","12.0498","0.0006","19.0558","0.0006","11.4322","0.0004","90","","100.49","0.004","90","","2581.17","0.18","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 F2 O2 -","- C8 H14 F2 O2 -","- C96 H168 F24 O24 -","12","3","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","1.54184","CuKα","","0.08","0.0535","","","0.1269","0.1446","","","","","","1.028","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035339","9.904","0.002","22.127","0.007","9.113","0.002","90","","90","","90","","1997.1","0.9","153","2","153","2","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C10 H16 F2 O2 -","- C10 H16 F2 O2 -","- C80 H128 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.1202","0.0854","","","0.2166","0.2508","","","","","","1.059","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035340","10.0193","0.0003","8.5428","0.0002","15.3195","0.0004","90","","105.197","0.003","90","","1265.39","0.06","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","1.5418","CuKα","","0.0415","0.0393","","","0.1051","0.1073","","","","","","1.033","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035341","10.4923","0.0003","10.7404","0.0003","9.7986","0.0003","90","","97.835","0.003","90","","1093.91","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 F2 O3 -","- C12 H12 F2 O3 -","- C48 H48 F8 O12 -","4","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","1.5418","CuKα","","0.0495","0.0474","","","0.1291","0.1314","","","","","","1.077","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035342","18.0944","0.0013","6.5258","0.0005","18.8242","0.0014","90","","90","","90","","2222.8","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 F2 O4 -","- C11 H16 F2 O4 -","- C88 H128 F16 O32 -","8","2","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71075","MoKα","","0.0969","0.0709","","","0.1692","0.1822","","","","","","1.068","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035343","8.4766","0.0004","18.0301","0.0008","14.2702","0.0006","90","","103.578","0.0013","90","","2120.02","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 O2 P -","- C26 H23 O2 P -","- C104 H92 O8 P4 -","4","1","","Yuen, On Ying; Leung, Man Pan; So, Chau Ming; Sun, Raymond Wai-Yin; Kwong, Fuk Yee","Palladium-Catalyzed Direct Arylation of Polyfluoroarenes for Accessing Tetra- ortho-Substituted Biaryls: Buchwald-type Ligand Having Complementary -PPh<sub>2</sub> Moiety Exhibits Better Efficiency.","The Journal of organic chemistry","2018","83","16","9008","9017","10.1021/acs.joc.8b01176","","","0.71073","MoKα","","0.039","0.0345","","","0.0905","0.0948","","","","","","1.055","","","","has coordinates","226800","2020-10-21","18:00:00",""
"4035344","11.1803","0.0013","7.9059","0.0009","21.793","0.002","90","","90","","90","","1926.3","0.4","200","2","200","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Co N4 O2 -","- C20 H18 Cl2 Co N4 O2 -","- C80 H72 Cl8 Co4 N16 O8 -","4","0.5","","Wu, Jing; Zeng, Haisu; Cheng, Jessica; Zheng, Shengping; Golen, James A.; Manke, David R.; Zhang, Guoqi","Cobalt(II) Coordination Polymer as a Precatalyst for Selective Hydroboration of Aldehydes, Ketones, and Imines.","The Journal of organic chemistry","2018","83","16","9442","9448","10.1021/acs.joc.8b01094","","","0.71073","MoKα","","0.0964","0.0557","","","0.1084","0.1225","","","","","","1.071","","","","has coordinates","226801","2020-10-21","18:00:00",""
"4035345","25.349","0.004","16.304","0.003","24.858","0.004","90","","90","","90","","10274","3","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H40 Cl2 Co N8 -","- C46 H40 Cl2 Co N8 -","- C368 H320 Cl16 Co8 N64 -","8","1","","Wu, Jing; Zeng, Haisu; Cheng, Jessica; Zheng, Shengping; Golen, James A.; Manke, David R.; Zhang, Guoqi","Cobalt(II) Coordination Polymer as a Precatalyst for Selective Hydroboration of Aldehydes, Ketones, and Imines.","The Journal of organic chemistry","2018","83","16","9442","9448","10.1021/acs.joc.8b01094","","","0.71073","MoKα","","0.0442","0.0342","","","0.0895","0.0948","","","","","","1.044","","","","has coordinates,has disorder","226802","2020-10-21","18:00:00",""
"4035346","11.5436","0.0006","14.5336","0.0007","14.7482","0.0008","99.894","0.002","103.021","0.002","107.072","0.002","2228","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H34 Cl2 O2 -","- C50 H34 Cl2 O2 -","- C100 H68 Cl4 O4 -","2","1","","Kong, Xiangwen; Yang, Shuang; Yu, Fang; Vasamsetty, Laxmaiah; Liu, Jian; Liu, Shuhua; Liu, Xiaozhi; Fang, Xinqiang","Cyclopentadienone Formation from β,γ-Unsaturated Cyclopentenones and Its Application in Diels-Alder Reactions.","The Journal of organic chemistry","2018","83","16","8953","8961","10.1021/acs.joc.8b01150","","","0.71073","MoKα","","0.1058","0.0981","","","0.2189","0.2222","","","","","","1.148","","","","has coordinates","226803","2020-10-21","18:00:00",""
"4035347","5.9965","0.0002","35.6863","0.0012","12.4237","0.0004","90","","101.068","0.001","90","","2609.13","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O2 -","- C34 H36 O2 -","- C136 H144 O8 -","4","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0441","0.0406","","","0.1057","0.1085","","","","","","1.037","","","","has coordinates","226804","2020-10-21","18:00:00",""
"4035348","9.9603","0.0005","12.4411","0.0007","12.4653","0.0007","81.911","0.002","86.691","0.002","71.216","0.002","1447.72","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H37 Cl O2 -","- C36 H37 Cl O2 -","- C72 H74 Cl2 O4 -","2","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0359","0.0351","","","0.0936","0.0943","","","","","","1.023","","","","has coordinates","226805","2020-10-21","18:00:00",""
"4035349","10.0553","0.0003","10.7561","0.0004","13.7858","0.0005","86.384","0.001","69.605","0.001","71.368","0.001","1322.34","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 O3 -","- C31 H36 O3 -","- C62 H72 O6 -","2","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0458","0.0411","","","0.103","0.1063","","","","","","1.026","","","","has coordinates","226806","2020-10-21","18:00:00",""
"4035350","32.1927","0.001","18.4712","0.0005","11.935","0.0004","90","","90","","90","","7097","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38.5 H41 Cl O5 -","- C38 H40 O5 -","- C304 H320 O40 -","8","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0404","0.0374","","","0.0917","0.0932","","","","","","1.03","","","","has coordinates,has disorder","226807","2020-10-21","18:00:00",""
"4035351","7.0079","0.0005","12.5351","0.0007","16.032","0.0011","104.995","0.004","102.166","0.005","95.758","0.005","1311.81","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 N3 O6 -","- C28 H31 N3 O6 -","- C56 H62 N6 O12 -","2","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.106","0.0566","","","0.1553","0.1838","","","","","","0.988","","","","has coordinates","226808","2020-10-21","18:00:00",""
"4035352","13.5329","0.0018","13.8394","0.0016","11.9184","0.0013","90","","99.398","0.011","90","","2202.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 F2 N O3 -","- C27 H21 F2 N O3 -","- C108 H84 F8 N4 O12 -","4","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.0837","0.0593","","","0.1402","0.1594","","","","","","0.833","","","","has coordinates","226809","2020-10-21","18:00:00",""
"4035353","8.1355","0.0014","27.205","0.005","9.9493","0.0015","90","","92.541","0.016","90","","2199.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.3509","0.1126","","","0.2133","0.3406","","","","","","0.895","","","","has coordinates","226810","2020-10-21","18:00:00",""
"4035354","10.0697","0.0008","12.2401","0.001","13.1515","0.0018","109.522","0.008","104.406","0.008","102.554","0.006","1397.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H29 N O2 -","- C39 H29 N O2 -","- C78 H58 N2 O4 -","2","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.1265","0.0523","","","0.1088","0.14","","","","","","0.924","","","","has coordinates","226811","2020-10-21","18:00:00",""
"4035355","11.687","0.0016","26.637","0.003","9.4862","0.001","90","","104.776","0.012","90","","2855.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 N3 O7 -","- C29 H35 N3 O7 -","- C116 H140 N12 O28 -","4","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.1615","0.0823","","","0.1387","0.1736","","","","","","1.024","","","","has coordinates","226812","2020-10-21","18:00:00",""
"4035356","15.4446","0.0006","9.1154","0.0003","19.6449","0.0007","90","","100.925","0.002","90","","2715.56","0.17","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N O4 S -","- C33 H29 N O4 S -","- C132 H116 N4 O16 S4 -","4","1","","Peng, Cheng; Zhang, Jingyi; Xue, Jian; Li, Siqi; Wang, Xiao-Na; Chang, Junbiao","Lewis Acids Catalyzed Annulations of Ynamides with Acyl Chlorides for Constructing 4-Amino-2-naphthol Derivatives and 3-Aminocyclobutenones.","The Journal of organic chemistry","2018","83","16","9256","9266","10.1021/acs.joc.8b01255","","","0.71073","MoKα","","0.0684","0.0533","","","0.1742","0.1899","","","","","","1.442","","","","has coordinates","226813","2020-10-21","18:00:00",""
"4035357","6.1623","0.0002","15.6222","0.0007","21.7282","0.001","90","","90","","90","","2091.75","0.15","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Peng, Cheng; Zhang, Jingyi; Xue, Jian; Li, Siqi; Wang, Xiao-Na; Chang, Junbiao","Lewis Acids Catalyzed Annulations of Ynamides with Acyl Chlorides for Constructing 4-Amino-2-naphthol Derivatives and 3-Aminocyclobutenones.","The Journal of organic chemistry","2018","83","16","9256","9266","10.1021/acs.joc.8b01255","","","0.71073","MoKα","","0.0388","0.0325","","","0.0957","0.1066","","","","","","0.733","","","","has coordinates","226814","2020-10-21","18:00:00",""
"4035358","11.228","0.002","11.856","0.003","16.719","0.004","78.871","0.003","76.348","0.003","62.757","0.003","1913.5","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","2","","Shu, Wen-Ming; Liu, Shan; He, Jian-Xin; Wang, Shuai; Wu, An-Xin","Sequential σ-Bond Insertion/Benzannulation Involving Arynes: Selective Synthesis of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2018","83","16","9156","9165","10.1021/acs.joc.8b01207","","","0.71073","MoKα","","0.1051","0.0591","","","0.1698","0.2207","","","","","","1.047","","","","has coordinates","226815","2020-10-21","18:00:00",""
"4035359","7.5024","0.001","11.7183","0.0016","11.9498","0.0016","103.773","0.002","92.178","0.002","94.681","0.002","1015.2","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O3 -","- C26 H22 O3 -","- C52 H44 O6 -","2","1","","Shu, Wen-Ming; Liu, Shan; He, Jian-Xin; Wang, Shuai; Wu, An-Xin","Sequential σ-Bond Insertion/Benzannulation Involving Arynes: Selective Synthesis of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2018","83","16","9156","9165","10.1021/acs.joc.8b01207","","","0.71073","MoKα","","0.0777","0.0505","","","0.1577","0.1886","","","","","","0.931","","","","has coordinates","226816","2020-10-21","18:00:00",""
"4035360","13.228","0.002","8.9299","0.0014","14.873","0.002","90","","97.342","0.002","90","","1742.5","0.4","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C84 H60 N4 O16 -","4","1","","Shu, Wen-Ming; Liu, Shan; He, Jian-Xin; Wang, Shuai; Wu, An-Xin","Sequential σ-Bond Insertion/Benzannulation Involving Arynes: Selective Synthesis of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2018","83","16","9156","9165","10.1021/acs.joc.8b01207","","","0.71073","MoKα","","0.0881","0.0517","","","0.1433","0.172","","","","","","1.025","","","","has coordinates","226817","2020-10-21","18:00:00",""
"4035361","10.9251","0.0004","11.449","0.0004","24.836","0.001","90","","90","","90","","3106.5","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 Br F3 N3 O4 S2 -","- C30 H23 Br F3 N3 O4 S2 -","- C120 H92 Br4 F12 N12 O16 S8 -","4","1","","Song, Yong-Xing; Du, Da-Ming","Asymmetric Construction of Bispiro[oxindole-pyrrolidine-rhodanine]s via Squaramide-Catalyzed Domino Michael/Mannich [3 + 2] Cycloaddition of Rhodanine Derivatives with N-(2,2,2-Trifluoroethyl)isatin Ketimines.","The Journal of organic chemistry","2018","83","16","9278","9290","10.1021/acs.joc.8b01245","","","0.71073","MoKα","","0.0502","0.0405","","","0.1059","0.1117","","","","","","1.032","","","","has coordinates","226818","2020-10-21","18:00:00",""
"4035362","19.6401","0.0006","10.0875","0.0002","21.1461","0.0007","90","","90","","90","","4189.5","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C232 H168 N8 O16 -","8","1","","Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","Selective Synthesis of Multifunctionalized 2,3-Dihydroinden-1-ones and 1,3-Dihydroisobenzofurans from the Reaction of o-Alkynylbenzaldehydes with Imines Steered by N-Heterocyclic Carbene/Copper(II) and N-Heterocyclic Carbene/Base Cascade Catalysis.","The Journal of organic chemistry","2018","83","16","8971","8983","10.1021/acs.joc.8b01163","","x-ray","1.54184","CuKα","","0.0541","0.0424","","","0.0998","0.1071","","","","","","1.027","","","","has coordinates","226819","2020-10-21","18:00:00",""
"4035363","11.0705","0.0004","7.819","0.0003","25.7254","0.0008","90","","101.755","0.003","90","","2180.1","0.14","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C116 H84 N4 O8 -","4","1","","Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","Selective Synthesis of Multifunctionalized 2,3-Dihydroinden-1-ones and 1,3-Dihydroisobenzofurans from the Reaction of o-Alkynylbenzaldehydes with Imines Steered by N-Heterocyclic Carbene/Copper(II) and N-Heterocyclic Carbene/Base Cascade Catalysis.","The Journal of organic chemistry","2018","83","16","8971","8983","10.1021/acs.joc.8b01163","","x-ray","1.54184","CuKα","","0.0749","0.0609","","","0.1156","0.1226","","","","","","1.048","","","","has coordinates","226820","2020-10-21","18:00:00",""
"4035364","12.04977","0.00019","9.47578","0.00013","16.4721","0.0003","90","","95.4813","0.0015","90","","1872.2","0.05","199.89","0.17","199.89","0.17","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","Selective Synthesis of Multifunctionalized 2,3-Dihydroinden-1-ones and 1,3-Dihydroisobenzofurans from the Reaction of o-Alkynylbenzaldehydes with Imines Steered by N-Heterocyclic Carbene/Copper(II) and N-Heterocyclic Carbene/Base Cascade Catalysis.","The Journal of organic chemistry","2018","83","16","8971","8983","10.1021/acs.joc.8b01163","","x-ray","1.54184","CuKα","","0.0549","0.0446","","","0.1127","0.1195","","","","","","1.037","","","","has coordinates","226821","2020-10-21","18:00:00",""
"4035365","8.7892","0.0018","9.969","0.002","13.277","0.003","86.63","0.03","73.04","0.03","82.14","0.03","1102.1","0.4","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N O4 -","- C24 H30 N O4 -","- C48 H60 N2 O8 -","2","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.0866","0.0802","","","0.1852","0.1922","","","","","","1.003","","","","has coordinates","226822","2020-10-21","18:00:00",""
"4035366","7.3673","0.0015","7.5802","0.0015","19.657","0.004","90","","95.16","0.03","90","","1093.3","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C64 H36 N4 O8 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.047","0.0451","","","0.1016","0.1029","","","","","","1.015","","","","has coordinates","226823","2020-10-21","18:00:00",""
"4035367","14.819","0.003","7.9577","0.0016","28.38","0.006","90","","100.3","0.03","90","","3292.8","1.2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.074","0.067","","","0.1447","0.1495","","","","","","1.012","","","","has coordinates","226824","2020-10-21","18:00:00",""
"4035368","7.3201","0.0005","6.9507","0.0004","27.384","0.003","90","","94.654","0.008","90","","1388.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N2 O -","- C20 H12 N2 O -","- C80 H48 N8 O4 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.1137","0.0831","","","0.2309","0.2435","","","","","","1.001","","","","has coordinates","226825","2020-10-21","18:00:00",""
"4035369","7.1399","0.0004","7.7406","0.0004","12.1414","0.0007","97.466","0.004","102.778","0.005","115.741","0.005","569.62","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C28 H28 N4 O2 -","2","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.0794","0.0666","","","0.2255","0.241","","","","","","1.013","","","","has coordinates","226826","2020-10-21","18:00:00",""
"4035370","7.9083","0.0016","11.626","0.002","16.057","0.003","90","","97.59","0.03","90","","1463.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.0751","0.0673","","","0.143","0.1792","","","","","","1.02","","","","has coordinates","226827","2020-10-21","18:00:00",""
"4035371","6.8668","0.0002","14.1172","0.0003","14.397","0.0004","90","","90","","90","","1395.65","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 N2 O -","- C20 H12 N2 O -","- C80 H48 N8 O4 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.0677","0.0589","","","0.1721","0.181","","","","","","1.003","","","","has coordinates","226828","2020-10-21","18:00:00",""
"4035372","15.858","0.002","6.8927","0.001","9.0764","0.0012","90","","90","","90","","992.1","0.2","99.99","0.18","99.99","0.18","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","0.5","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.0693","0.0503","","","0.1159","0.1314","","","","","","1.021","","","","has coordinates","226829","2020-10-21","18:00:00",""
"4035373","3.846","0.0008","24.811","0.005","12.108","0.002","90","","93.01","0.03","90","","1153.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.0618","0.0593","","","0.1327","0.1346","","","","","","1.006","","","","has coordinates","226830","2020-10-21","18:00:00",""
"4035374","11.665","0.0008","10.3095","0.0006","14.8218","0.001","90","","94.116","0.003","90","","1777.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","","Muthukumar, Alagesan; Sekar, Govindasamy","Friedel-Crafts Hydroxyalkylation of Indoles with α-Keto Amides using Reusable K<sub>3</sub>PO<sub>4</sub>/ nBu<sub>4</sub>NBr Catalytic System in Water.","The Journal of organic chemistry","2018","83","16","8827","8839","10.1021/acs.joc.8b00844","","","0.71073","MoKα","","0.0632","0.0445","","","0.1061","0.124","","","","","","1.052","","","","has coordinates","226831","2020-10-21","18:00:00",""
"4035375","16.5505","0.0003","10.3454","0.0002","9.53748","0.00017","90","","101.327","0.0017","90","","1601.22","0.05","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O6 S -","- C16 H18 O6 S -","- C64 H72 O24 S4 -","4","1","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","1.54184","CuKα","","0.0414","0.0341","","","0.0852","0.0903","","","","","","1.043","","","","has coordinates","226832","2020-10-21","18:00:00",""
"4035376","11.8228","0.0002","12.38285","0.00019","20.3843","0.0004","90","","90","","90","","2984.26","0.09","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H12 Cl N O3 S -","- C17 H12 Cl N O3 S -","- C136 H96 Cl8 N8 O24 S8 -","8","1","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","0.71073","MoKα","","0.0347","0.0302","","","0.0754","0.0784","","","","","","1.039","","","","has coordinates","226833","2020-10-21","18:00:00",""
"4035377","15.1873","0.0002","8.41771","0.00012","39.3945","0.0007","90","","90","","90","","5036.28","0.13","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H23 N O4 S2 -","- C33 H23 N O4 S2 -","- C264 H184 N8 O32 S16 -","8","2","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","1.54184","CuKα","","0.0443","0.0417","","","0.1058","0.1073","","","","","","1.151","","","","has coordinates","226834","2020-10-21","18:00:00",""
"4035378","8.4756","0.0002","9.5981","0.0002","17.4464","0.0004","78.921","0.002","83.629","0.002","81.536","0.002","1372.63","0.05","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Cl N O4 S2 -","- C33 H24 Cl N O4 S2 -","- C66 H48 Cl2 N2 O8 S4 -","2","1","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","0.71073","MoKα","","0.0431","0.0343","","","0.081","0.0868","","","","","","1.042","","","","has coordinates","226835","2020-10-21","18:00:00",""
"4035379","7.9663","0.0016","14.83","0.003","14.187","0.002","90","","96.629","0.018","90","","1664.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br Mn N2 O3 S -","- C13 H16 Br Mn N2 O3 S -","- C52 H64 Br4 Mn4 N8 O12 S4 -","4","1","","Das, Kalicharan; Mondal, Avijit; Srimani, Dipankar","Selective Synthesis of 2-Substituted and 1,2-Disubstituted Benzimidazoles Directly from Aromatic Diamines and Alcohols Catalyzed by Molecularly Defined Nonphosphine Manganese(I) Complex.","The Journal of organic chemistry","2018","83","16","9553","9560","10.1021/acs.joc.8b01316","","","0.71073","MoKα","","0.2034","0.0923","","","0.1579","0.2151","","","","","","0.903","","","","has coordinates","226836","2020-10-21","18:00:00",""
"4035380","9.00787","0.00016","17.6893","0.0004","10.8349","0.0002","90","","105.322","0.0011","90","","1665.1","0.06","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H34 N2 O5 S2 -","- C42 H34 N2 O5 S2 -","- C84 H68 N4 O10 S4 -","2","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","","0.0637","","","","0.1706","","","","","","1.073","","","","has coordinates","226837","2020-10-21","18:00:00",""
"4035381","13.9979","0.0003","10.37944","0.00019","14.6537","0.0003","90","","94.048","0.007","90","","2123.73","0.08","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C104 H92 N4 O12 S4 -","4","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0362","0.0348","","","0.0903","0.0915","","","","","","1.025","","","","has coordinates","226838","2020-10-21","18:00:00",""
"4035382","7.98905","0.00015","15.1809","0.0003","17.4906","0.0003","90","","92.789","0.007","90","","2118.76","0.07","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C104 H92 N4 O12 S4 -","4","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0365","0.0346","","","0.0912","0.0925","","","","","","1.038","","","","has coordinates","226839","2020-10-21","18:00:00",""
"4035383","20.0068","0.001","19.8255","0.001","10.7525","0.0005","90","","90","","90","","4264.9","0.4","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C208 H184 N8 O24 S8 -","8","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0799","0.0664","","","0.194","0.2056","","","","","","1.086","","","","has coordinates","226840","2020-10-21","18:00:00",""
"4035384","14.993","0.0004","10.3428","0.0003","17.6768","0.0005","90","","103.888","0.007","90","","2661","0.15","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 O6 -","- C31 H36 O6 -","- C124 H144 O24 -","4","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0421","0.0383","","","0.1007","0.1035","","","","","","1.062","","","","has coordinates","226841","2020-10-21","18:00:00",""
"4035385","4.59803","0.00016","7.913","0.0003","9.0802","0.0004","99.351","0.003","93.072","0.003","93.314","0.003","324.77","0.02","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H5 B F3 N O -","- C5 H5 B F3 N O -","- C10 H10 B2 F6 N2 O2 -","2","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","","0.0464","","","","0.1354","","","","","","1.123","","","","has coordinates","226842","2020-10-21","18:00:00",""
"4035386","4.905","0.013","18.25","0.05","13.37","0.03","90","","90.86","0.03","90","","1197","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Br F3 N2 O2 -","- C11 H6 Br F3 N2 O2 -","- C44 H24 Br4 F12 N8 O8 -","4","1","","Wu, Jun; Zhang, Hui; Ding, Xiao; Tan, Xuefei; Chen, Jie; He, Weimin; Deng, Hongmei; Song, Liping; Shen, Hong C.; Cao, Weiguo","Potassium Iodide-Promoted One-Pot Synthesis of Fluoroalkylated Quinoxalines via a Tandem Michael Addition/Azidation/Cycloamination Approach.","The Journal of organic chemistry","2018","83","16","9422","9429","10.1021/acs.joc.8b01030","","","0.71073","MoKα","","0.0628","0.0428","","","0.1036","0.1113","","","","","","1.067","","","","has coordinates","226843","2020-10-21","18:00:00",""
"4035387","11.7016","0.0001","32.0199","0.0004","6.8655","0.0001","90","","90","","90","","2572.39","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H35 I N2 O2 -","- C23 H35 I N2 O2 -","- C92 H140 I4 N8 O8 -","4","1","","Hong, Mannkyu; Kim, Yoseph; Kim, Hyejin; Cho, Hee Jin; Baik, Mu-Hyun; Kim, Youngjo","Scorpionate Catalysts for Coupling CO<sub>2</sub> and Epoxides to Cyclic Carbonates: A Rational Design Approach for Organocatalysts.","The Journal of organic chemistry","2018","83","16","9370","9380","10.1021/acs.joc.8b00722","","","0.71073","MoKα","","0.0443","0.0362","","","0.125","0.1306","","","","","","1.008","","","","has coordinates","226844","2020-10-21","18:00:00",""
"4035388","10.9173","0.0006","10.9173","0.0006","15.0401","0.001","90","","90","","90","","1792.59","0.18","200","2","200","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H18 N2 O4 S2 -","- C16 H18 N2 O4 S2 -","- C64 H72 N8 O16 S8 -","4","0.5","","Chaminda Lakmal, Hetti Handi; Xu, Joanna Xiuzhu; Xu, Xue; Ahmed, Bassem; Fong, Christopher; Szalda, David J.; Ramig, Keith; Sygula, Andrzej; Webster, Charles Edwin; Zhang, Dongmao; Cui, Xin","Synthesis of C-Unsubstituted 1,2-Diazetidines and Their Ring-Opening Reactions via Selective N-N Bond Cleavage.","The Journal of organic chemistry","2018","83","16","9497","9503","10.1021/acs.joc.8b01223","","","0.71073","MoKα","","0.0836","0.0545","","","0.094","0.1051","","","","","","1.023","","","","has coordinates","226845","2020-10-21","18:00:00",""
"4035389","11.643","0.002","14.76","0.003","15.957","0.003","90","","90","","90","","2742.2","0.9","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br N3 O5 S -","- C29 H26 Br N3 O5 S -","- C116 H104 Br4 N12 O20 S4 -","4","1","","Zhao, Hong-Wu; Feng, Ning-Ning; Guo, Jia-Ming; Du, Juan; Ding, Wan-Qiu; Wang, Li-Ru; Song, Xiu-Qing","Diastereoselective and Enantioselective Synthesis of Barbiturate-Fused Spirotetrahydroquinolines via Chiral Palladium(0)/Ligand Complex Catalyzed [4 + 2] Cycloaddition of Vinyl Benzoxazinanones with Barbiturate-Based Olefins.","The Journal of organic chemistry","2018","83","16","9291","9299","10.1021/acs.joc.8b01268","","","0.71073","MoKα","","0.0648","0.0443","","","0.0737","0.0799","","","","","","1.007","","","","has coordinates","226846","2020-10-21","18:00:00",""
"4035390","15.5704","0.0008","25.7255","0.001","16.0579","0.0009","90","","110.885","0.006","90","","6009.5","0.6","169.8","","169.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H59 Cl6 N15 -","- C62 H59 Cl6 N15 -","- C248 H236 Cl24 N60 -","4","1","","Jiao, Tianyu; Wu, Guangcheng; Chen, Liang; Wang, Cai-Yun; Li, Hao","Precursor Control over the Self-Assembly of Organic Cages via Imine Condensation.","The Journal of organic chemistry","2018","83","20","12404","12410","10.1021/acs.joc.8b01421","","","0.71073","MoKα","","0.1061","0.062","","","0.1453","0.1762","","","","","","1.022","","","","has coordinates,has disorder","226847","2020-10-21","18:00:00",""
"4035391","26.198","0.0011","15.139","0.0005","31.8305","0.0011","90","","90","","90","","12624.3","0.8","179.3","","179.3","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C136 H128 Cl12 N18 -","- C136 H128 Cl12 N18 -","- C544 H512 Cl48 N72 -","4","0.5","","Jiao, Tianyu; Wu, Guangcheng; Chen, Liang; Wang, Cai-Yun; Li, Hao","Precursor Control over the Self-Assembly of Organic Cages via Imine Condensation.","The Journal of organic chemistry","2018","83","20","12404","12410","10.1021/acs.joc.8b01421","","","0.71073","MoKα","","0.1354","0.0956","","","0.2588","0.3128","","","","","","1.028","","","","has coordinates,has disorder","226848","2020-10-21","18:00:00",""
"4035392","7.7838","0.0002","16.9514","0.0005","21.2298","0.0007","90","","90","","90","","2801.19","0.14","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","1","","Cruz, Daniel A.; Sinka, Victoria; Martín, Víctor S; Padrón, Juan I","Iron-Catalyzed Prins-Peterson Reaction for the Direct Synthesis of Δ<sup>4</sup>-2,7-Disubstituted Oxepenes.","The Journal of organic chemistry","2018","83","20","12632","12647","10.1021/acs.joc.8b01978","","","1.54184","CuKα","","0.0444","0.0391","","","0.1066","0.1131","","","","","","1.055","","","","has coordinates","226849","2020-10-21","18:00:00",""
"4035393","18.4509","0.0017","16.507","0.0017","8.064","0.0006","90","","92.762","0.008","90","","2453.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O Si2 -","- C26 H32 O Si2 -","- C104 H128 O4 Si8 -","4","1","","Lv, Weiwei; Yu, Jia; Ge, Bailu; Wen, Si; Cheng, Guolin","Palladium-Catalyzed Catellani-Type Bis-silylation and Bis-germanylation of Aryl Iodides and Norbornenes.","The Journal of organic chemistry","2018","83","20","12683","12693","10.1021/acs.joc.8b02018","","","0.71073","MoKα","","0.1096","0.0574","","","0.1121","0.132","","","","","","1.028","","","","has coordinates","226850","2020-10-21","18:00:00",""
"4035394","13.589","0.004","9.963","0.002","17.419","0.003","90","","102.55","0.02","90","","2302","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 O Si2 -","- C23 H32 O Si2 -","- C92 H128 O4 Si8 -","4","1","","Lv, Weiwei; Yu, Jia; Ge, Bailu; Wen, Si; Cheng, Guolin","Palladium-Catalyzed Catellani-Type Bis-silylation and Bis-germanylation of Aryl Iodides and Norbornenes.","The Journal of organic chemistry","2018","83","20","12683","12693","10.1021/acs.joc.8b02018","","","0.71073","MoKα","","0.1257","0.0655","","","0.1489","0.186","","","","","","1.023","","","","has coordinates","226851","2020-10-21","18:00:00",""
"4035395","9.8898","0.0017","11.4182","0.0019","15.179","0.002","99.218","0.009","98.769","0.01","107.339","0.01","1578.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","2","","Kołodziejczyk, Agata; Domański, Sylwester; Chaładaj, Wojciech","Tandem Palladium-Catalyzed 6- exo- dig Oxocyclization Coupling of δ-Acetylenic β-Ketoesters with Aryl Bromides and Chlorides: Route to Substituted Dihydropyrans.","The Journal of organic chemistry","2018","83","20","12887","12896","10.1021/acs.joc.8b01832","","","1.54178","CuKα","","0.1279","0.0736","","","0.1956","0.2365","","","","","","1.039","","","","has coordinates","226852","2020-10-21","18:00:00",""
"4035396","9.4739","0.0004","12.3578","0.0006","15.9762","0.0008","69.31","0.002","78.961","0.002","71.61","0.002","1653.69","0.14","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N2 O5 -","- C42 H34 N2 O5 -","- C84 H68 N4 O10 -","2","1","","Naresh Babu, K.; Kariyandi, Nikhil Raj; Saheeda M K, Saina; Kinthada, Lakshmana K.; Bisai, Alakesh","Lewis Acid-Catalyzed Malonate Addition onto 3-Hydroxy-2-oxindoles: Mechanistic Consideration and Synthetic Approaches to the Pyrroloindoline Alkaloids.","The Journal of organic chemistry","2018","83","20","12664","12682","10.1021/acs.joc.8b02017","","","0.71073","MoKα","","0.2196","0.0972","","","0.2025","0.2408","","","","","","1.186","","","","has coordinates","226853","2020-10-21","18:00:00",""
"4035397","16.0538","0.0005","15.9623","0.0005","11.2628","0.0003","90","","93.733","0.002","90","","2880.03","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ND1-064-B2","beta-10d","","- C28 H43 N O6 Si -","- C28 H43 N O6 Si -","- C112 H172 N4 O24 Si4 -","4","1","","Doering, Nicolle A.; Kou, Kevin G. M.; Norseeda, Krissada; Lee, Jack C.; Marth, Christopher J.; Gallego, Gary M.; Sarpong, Richmond","A Copper-Mediated Conjugate Addition Approach to Analogues of Aconitine-Type Diterpenoid Alkaloids.","The Journal of organic chemistry","2018","83","20","12911","12920","10.1021/acs.joc.8b01967","","","1.54178","CuKα","","0.0546","0.0519","","","0.1338","0.1362","","","","","","1.078","","","","has coordinates","226854","2020-10-21","18:00:00",""
"4035398","8.7861","0.0003","19.9084","0.0006","21.7332","0.0007","90","","90","","90","","3801.5","0.2","293","0.2","293","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C192 H144 O32 -","8","1","","Liu, Yan-Qing; Li, Qing-Zhu; Zhu, Hong-Ping; Feng, Xin; Peng, Cheng; Huang, Wei; Li, Jun-Long; Han, Bo","Direct Sulfide-Catalyzed Diastereoselective [4+1] Annulations of ortho-Quinone Methides and Bromides.","The Journal of organic chemistry","2018","83","20","12753","12762","10.1021/acs.joc.8b02189","","x-ray","1.54184","CuKα","","0.07","0.0629","","","0.1586","0.1711","","","","","","1.032","","","","has coordinates","226855","2020-10-21","18:00:00",""
"4035399","13.3515","0.0019","13.8729","0.0014","14.852","0.003","81.985","0.01","88.534","0.011","63.761","0.006","2441.4","0.7","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H72 N8 O16 -","- C40 H72 N8 O16 -","- C80 H144 N16 O32 -","2","1","","Schettini, Rosaria; Costabile, Chiara; Della Sala, Giorgio; Iuliano, Veronica; Tedesco, Consiglia; Izzo, Irene; De Riccardis, Francesco","Cation-Induced Molecular Switching Based on Reversible Modulation of Peptoid Conformational States.","The Journal of organic chemistry","2018","83","20","12648","12663","10.1021/acs.joc.8b01990","","","1.54178","CuKα","","0.0561","0.0476","","","0.1282","0.1361","","","","","","1.028","","","","has coordinates","226856","2020-10-21","18:00:00",""
"4035400","5.9816","0.0001","13.6923","0.0003","21.4173","0.0005","90","","90","","90","","1754.12","0.06","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Cl2 N2 Zn -","- C16 H22 Cl2 N2 Zn -","- C64 H88 Cl8 N8 Zn4 -","4","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.0562","0.0386","","","0.0702","0.0755","","","","","","1.001","","","","has coordinates","226858","2020-10-21","18:00:00",""
"4035401","6.933","0.0002","17.2571","0.0004","20.0543","0.0005","90","","90","","90","","2399.37","0.11","173","2","173","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C8 H18 Cl2 N2 Zn -","- C8 H18 Cl2 N2 Zn -","- C64 H144 Cl16 N16 Zn8 -","8","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.1316","0.1087","","","0.2603","0.2686","","","","","","1.225","","","","has coordinates,has disorder","226859","2020-10-21","18:00:00",""
"4035402","8.3177","0.0003","8.3401","0.0004","9.539","0.0004","90.66","0.002","103.539","0.0018","100.646","0.002","631.22","0.05","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Cl2 N2 O2 Zn -","- C8 H18 Cl2 N2 O2 Zn -","- C16 H36 Cl4 N4 O4 Zn2 -","2","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.0298","0.0265","","","0.0601","0.0633","","","","","","0.991","","","","has coordinates","226860","2020-10-21","18:00:00",""
"4035403","8.5348","0.0005","11.445","0.0006","13.2997","0.0008","90","0.003","89.932","0.003","90","0.002","1299.12","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Cl4 N2 Zn -","- C4 H16 Cl4 N2 Zn -","- C16 H64 Cl16 N8 Zn4 -","4","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.1022","0.0654","","","0.1478","0.1683","","","","","","1.047","","","","has coordinates","226861","2020-10-21","18:00:00",""
"4035404","8.8724","0.0003","15.4191","0.0005","11.6823","0.0003","90","","101.762","0.0016","90","","1564.64","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 Cl2 N2 O2 Zn -","- C34 H38 Cl2 N2 O2 Zn -","- C68 H76 Cl4 N4 O4 Zn2 -","2","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.0777","0.0506","","","0.0844","0.0947","","","","","","1.062","","","","has coordinates,has disorder","226862","2020-10-21","18:00:00",""
"4035405","16.1532","0.0006","19.5027","0.0006","18.8925","0.0007","90","","104.25","0.004","90","","5768.6","0.4","150.11","0.1","150.11","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 N O2 -","- C33 H45 N O2 -","- C264 H360 N8 O16 -","8","2","","Ciechańska, Magdalena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Alkylation of the K-Region in a Sterically Hindered Pyrene Carboxamide via Directed Reaction with Alkyllithiums under Air.","The Journal of organic chemistry","2018","83","20","12793","12797","10.1021/acs.joc.8b01024","","x-ray","0.71072","MoKα","","0.0781","0.0584","","","0.1249","0.1347","","","","","","1.046","","","","has coordinates","226863","2020-10-21","18:00:00",""
"4035406","5.7993","0.0004","16.3444","0.0011","21.7331","0.0014","90","","90","","90","","2060","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 N O3 S Si -","- C16 H31 N O3 S Si -","- C64 H124 N4 O12 S4 Si4 -","4","1","","Fernández-Sánchez, Luis; Fernández-Salas, José A; Maestro, M. Carmen; García Ruano, Jose L","Reformatsky Reaction to Alkynyl N- tert-Butanesulfinyl Imines: Lewis Acid Controlled Stereodivergent Synthesis of β-Alkynyl-β-Amino Acids.","The Journal of organic chemistry","2018","83","20","12903","12910","10.1021/acs.joc.8b01918","","","0.71073","MoKα","","0.0419","0.0355","","","0.0898","0.1155","","","","","","1.006","","","","has coordinates","226864","2020-10-21","18:00:00",""
"4035407","7.7036","0.0002","8.6989","0.0003","24.457","0.0009","90","","94.376","0.003","90","","1634.16","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 S -","- C19 H16 N2 O3 S -","- C76 H64 N8 O12 S4 -","4","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0458","0.0413","","","0.1113","0.1143","","","","","","1.096","","","","has coordinates","226865","2020-10-21","18:00:00",""
"4035408","12.6608","0.0006","10.8233","0.0005","27.9283","0.0011","90","","94.769","0.004","90","","3813.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C176 H160 N16 O40 -","8","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0406","0.0355","","","0.0899","0.0928","","","","","","1.051","","","","has coordinates","226866","2020-10-21","18:00:00",""
"4035409","13.6553","0.0003","20.2125","0.0005","11.5578","0.0003","90","","90","","90","","3190.04","0.13","100","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","2","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.059","0.0567","","","0.1457","0.1507","","","","","","1.057","","","","has coordinates","226867","2020-10-21","18:00:00",""
"4035410","11.6882","0.0003","10.5838","0.0003","30.9945","0.0011","90","","90","","90","","3834.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C160 H192 N16 O40 -","8","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0485","0.0433","","","0.1052","0.1099","","","","","","1.045","","","","has coordinates","226868","2020-10-21","18:00:00",""
"4035411","18.6801","0.0003","8.6609","0.00013","10.87942","0.00017","90","","105.924","0.0017","90","","1692.6","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl N2 O3 -","- C20 H15 Cl N2 O3 -","- C80 H60 Cl4 N8 O12 -","4","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0394","0.0386","","","0.1045","0.1054","","","","","","1.052","","","","has coordinates","226869","2020-10-21","18:00:00",""
"4035412","25.059","0.0018","15.9883","0.0007","11.3279","0.0006","90","","99.959","0.006","90","","4470.1","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O6 -","- C24 H24 N4 O6 -","- C192 H192 N32 O48 -","8","2","","Peng, Hui; Luo, Wenkun; Jiang, Huanfeng; Yin, Biaolin","Tandem Achmatowicz Rearrangement and Acetalization of 1-[5-(Hydroxyalkyl)-furan-2-yl]-cyclobutanols Leading to Dispiroacetals and Subsequent Ring-Expansion to Form 6,7-Dihydrobenzofuran-4(5 H)-ones.","The Journal of organic chemistry","2018","83","20","12869","12879","10.1021/acs.joc.8b01765","","x-ray","1.54184","CuKα","","0.1162","0.0763","","","0.1742","0.201","","","","","","1.044","","","","has coordinates","226870","2020-10-21","18:00:00",""
"4035413","17.893","0.0005","9.79","0.0003","9.2333","0.0003","90","","101.193","0.003","90","","1586.65","0.09","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Peng, Hui; Luo, Wenkun; Jiang, Huanfeng; Yin, Biaolin","Tandem Achmatowicz Rearrangement and Acetalization of 1-[5-(Hydroxyalkyl)-furan-2-yl]-cyclobutanols Leading to Dispiroacetals and Subsequent Ring-Expansion to Form 6,7-Dihydrobenzofuran-4(5 H)-ones.","The Journal of organic chemistry","2018","83","20","12869","12879","10.1021/acs.joc.8b01765","","x-ray","1.54184","CuKα","","0.0325","0.0324","","","0.0853","0.0854","","","","","","1.064","","","","has coordinates","226871","2020-10-21","18:00:00",""
"4035414","16.331","0.00011","11.444378","0.000086","18.61358","0.00015","90","","70.5062","0.00058","90","","3279.43","0.04","358","","358","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H25 I3 N10 O2 -","- C32 H25 I3 N8 O2 -","- C128 H100 I12 N32 O8 -","4","1","","Kumar, Rajesh; Vaish, Avichal; Runčevski, Tomče; Tsarevsky, Nicolay V.","Hypervalent Iodine Compounds with Tetrazole Ligands.","The Journal of organic chemistry","2018","83","20","12496","12506","10.1021/acs.joc.8b01715","powder diffraction","x-ray","0.45236","synchrotron","","1.795","","","","","","","","2.386","","","","","","","has coordinates","226872","2020-10-21","18:00:00",""
"4035415","8.8238","0.0008","9.7981","0.001","10.3639","0.0009","95.656","0.008","90.175","0.007","92.454","0.008","890.82","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","","Sharma, Ritika; Kumar, Rakesh; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Rh(III)-Catalyzed C(8)-H Functionalization of Quinolines via Simultaneous C-C and C-O Bond Formation: Direct Synthesis of Quinoline Derivatives with Antiplasmodial Potential.","The Journal of organic chemistry","2018","83","20","12702","12710","10.1021/acs.joc.8b02042","","x-ray","1.54184","CuKα","","0.0777","0.0599","","","0.1747","0.1899","","","","","","1.059","","","","has coordinates","226873","2020-10-21","18:00:00",""
"4035416","15.6837","0.0004","15.8931","0.0004","16.911","0.0005","82.049","0.002","83.907","0.002","78.263","0.002","4074.22","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H60 N6 O6 Re2 -","- C45 H30 N3 O3 Re -","- C90 H60 N6 O6 Re2 -","2","1","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of meso-Tetraaryl Triphyrins(2.1.1).","The Journal of organic chemistry","2018","83","20","12945","12950","10.1021/acs.joc.8b02242","","x-ray","0.71073","MoKα","","0.0831","0.0551","","","0.1176","0.1359","","","","","","1.034","","","","has coordinates","226874","2020-10-21","18:00:00",""
"4035417","40.424","0.004","6.9876","0.0005","44.765","0.004","90","","110.991","0.01","90","","11805","2","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C40 H27 N3 -","- C40 H27 N3 -","- C640 H432 N48 -","16","2","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of meso-Tetraaryl Triphyrins(2.1.1).","The Journal of organic chemistry","2018","83","20","12945","12950","10.1021/acs.joc.8b02242","","x-ray","0.71073","MoKα","","0.1803","0.0912","","","0.199","0.2471","","","","","","1.035","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035418","12.5676","0.0014","5.7449","0.0007","18.506","0.002","90","","90.262","0.011","90","","1336.1","0.3","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C72 H52 N4 O4 -","2","0.5","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of meso-Tetraaryl Triphyrins(2.1.1).","The Journal of organic chemistry","2018","83","20","12945","12950","10.1021/acs.joc.8b02242","","x-ray","0.71073","MoKα","","0.1049","0.0641","","","0.1468","0.1833","","","","","","1.034","","","","has coordinates","226876","2020-10-21","18:00:00",""
"4035419","6.0513","0.0001","22.4128","0.0005","15.8276","0.0003","90","","98.739","0.002","90","","2121.72","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O2 S -","- C26 H19 N3 O2 S -","- C104 H76 N12 O8 S4 -","4","1","","Cao, Dongdong; Ying, Anguo; Mo, Hanjie; Chen, Dingben; Chen, Gang; Wang, Zhiming; Yang, Jianguo","[4 + 2] Annulation of 3-Nitroindoles with Alkylidene Malononitriles: Entry to Substituted Carbazol-4-amine Derivatives.","The Journal of organic chemistry","2018","83","20","12568","12574","10.1021/acs.joc.8b01876","","","1.54184","CuKα","","0.0477","0.043","","","0.1111","0.1157","","","","","","1.049","","","","has coordinates","226877","2020-10-21","18:00:00",""
"4035420","15.355","0.002","6.4821","0.001","13.0958","0.0019","90","","114.676","0.002","90","","1184.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O3 -","- C12 H10 Br N O3 -","- C48 H40 Br4 N4 O12 -","4","1","","Shen, Yue; Chai, Jun; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","Stereocontrolled Synthesis of trans/ cis-2,3-Disubstituted Cyclopropane-1,1-diesters and Applications in the Syntheses of Furanolignans.","The Journal of organic chemistry","2018","83","20","12549","12558","10.1021/acs.joc.8b01798","","","0.71073","MoKα","","0.0815","0.0554","","","0.1719","0.2005","","","","","","0.876","","","","has coordinates","226878","2020-10-21","18:00:00",""
"4035421","9.0367","0.0009","12.3766","0.0012","18.4225","0.0017","90","","100.833","0.001","90","","2023.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O8 -","- C20 H23 N O8 -","- C80 H92 N4 O32 -","4","1","","Shen, Yue; Chai, Jun; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","Stereocontrolled Synthesis of trans/ cis-2,3-Disubstituted Cyclopropane-1,1-diesters and Applications in the Syntheses of Furanolignans.","The Journal of organic chemistry","2018","83","20","12549","12558","10.1021/acs.joc.8b01798","","","0.71073","MoKα","","0.0768","0.0609","","","0.2166","0.2476","","","","","","1.009","","","","has coordinates","226879","2020-10-21","18:00:00",""
"4035422","11.3893","0.0003","14.6404","0.0004","20.3796","0.0005","90","","90","","90","","3398.17","0.15","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 O2 P2 -","- C41 H34 O2 P2 -","- C164 H136 O8 P8 -","4","1","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","","","0.0365","0.0312","","","0.0779","0.0819","","","","","","1.043","","","","has coordinates","226880","2020-10-21","18:00:00",""
"4035423","11.283","0.005","8.734","0.004","16.552","0.008","90","","92.249","0.008","90","","1629.9","1.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H32 O2 P2 -","- C40 H32 O2 P2 -","- C80 H64 O4 P4 -","2","1","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","MoKα","","0.1075","0.0465","","","0.0879","0.1109","","","","","","0.812","","","","has coordinates","226881","2020-10-21","18:00:00",""
"4035424","10.2427","0.0017","27.713","0.005","12.453","0.002","90","","105.65","0.003","90","","3403.8","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H34 O2 P2 -","- C41 H34 O2 P2 -","- C164 H136 O8 P8 -","4","2","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","MoKα","","0.1239","0.0553","","","0.1222","0.1544","","","","","","0.967","","","","has coordinates","226882","2020-10-21","18:00:00",""
"4035425","30.7793","0.0011","25.5618","0.0006","18.8361","0.0007","90","","107.606","0.004","90","","14125.6","0.9","141","0.1","141","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C95 H132 N11 O9 Zn2 -","- C95 H132 N11 O9 Zn2 -","- C380 H528 N44 O36 Zn8 -","4","1","","Xiong, Qian; Lin, Lili; Zhao, Xiaohu; Lang, Jiawen; Liu, Xiaohua; Feng, Xiaoming","Zinc(II)-Catalyzed Asymmetric Diels-Alder Reaction of ( E)-1-Phenyl Dienes with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2018","83","20","12527","12534","10.1021/acs.joc.8b01771","","","1.54184","CuKα","","0.1395","0.1193","","","0.3236","0.3693","","","","","","1.089","","","","has coordinates","226883","2020-10-21","18:00:00",""
"4035426","8.3398","0.00013","10.15555","0.00018","10.95054","0.00019","90","","93.5771","0.0015","90","","925.65","0.03","294.6","0.5","294.6","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 F O3 -","- C22 H21 F O3 -","- C44 H42 F2 O6 -","2","1","","Xiong, Qian; Lin, Lili; Zhao, Xiaohu; Lang, Jiawen; Liu, Xiaohua; Feng, Xiaoming","Zinc(II)-Catalyzed Asymmetric Diels-Alder Reaction of ( E)-1-Phenyl Dienes with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2018","83","20","12527","12534","10.1021/acs.joc.8b01771","","x-ray","1.54184","CuKα","","0.0699","0.0685","","","0.1462","0.1502","","","","","","1.16","","","","has coordinates","226884","2020-10-21","18:00:00",""
"4035427","17.2491","0.001","20.1577","0.0012","21.143","0.0011","90","","90","","90","","7351.5","0.7","273","2","273.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H30 Cl2 N4 O4 -","- C39 H30 Cl2 N4 O4 -","- C312 H240 Cl16 N32 O32 -","8","1","","Liang, Jin-Yan; Shen, Shou-Jie; Chai, Xiao-Qian; Lv, Ting","Lewis-Base-Catalyzed [1 + 2 + 2] Annulation Reaction of Morita-Baylis-Hillman Carbonates with Unsaturated Pyrazolones: Construction of All-Stereogenic Carbon Cyclopentane-Fused Dispiropyrazolones.","The Journal of organic chemistry","2018","83","20","12744","12752","10.1021/acs.joc.8b02188","","","0.71073","MoKα","","0.1558","0.099","","","0.2808","0.3263","","","","","","1.117","","","","has coordinates","226885","2020-10-21","18:00:00",""
"4035428","22.4758","0.0017","10.8896","0.0008","14.8092","0.0011","90","","93.616","0.002","90","","3617.4","0.5","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 N4 O6 -","- C41 H38 N4 O6 -","- C164 H152 N16 O24 -","4","1","","Liang, Jin-Yan; Shen, Shou-Jie; Chai, Xiao-Qian; Lv, Ting","Lewis-Base-Catalyzed [1 + 2 + 2] Annulation Reaction of Morita-Baylis-Hillman Carbonates with Unsaturated Pyrazolones: Construction of All-Stereogenic Carbon Cyclopentane-Fused Dispiropyrazolones.","The Journal of organic chemistry","2018","83","20","12744","12752","10.1021/acs.joc.8b02188","","","0.71073","MoKα","","0.0726","0.0533","","","0.1542","0.171","","","","","","1.033","","","","has coordinates","226886","2020-10-21","18:00:00",""
"4035429","14.1406","0.0003","9.58175","0.00018","10.1251","0.0002","90","","109.792","0.003","90","","1290.83","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Zhu, Haiyong; Chen, Chao; Li, Dan; Wang, Pengxin; Wang, Yuan; Bai, Lutao; Yang, Dongxu; Wang, Linqing","Direct Synthesis of a Dioxabenzobicyclo[3.2.1]octane Core from Salicylaldehydes.","The Journal of organic chemistry","2018","83","20","12897","12902","10.1021/acs.joc.8b01873","","","1.54184","CuKα","","0.043","0.0391","","","0.1058","0.1096","","","","","","1.041","","","","has coordinates","226887","2020-10-21","18:00:00",""
"4035430","7.0525","0.0003","12.6404","0.0006","21.5366","0.0009","90","","90","","90","","1919.91","0.15","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Ma, Xiaoshen; Kucera, Roman; Goethe, Olivia F.; Murphy, Stephen K.; Herzon, Seth B.","Directed C-H Bond Oxidation of (+)-Pleuromutilin.","The Journal of organic chemistry","2018","83","13","6843","6892","10.1021/acs.joc.8b00462","","","0.71073","MoKα","","0.0415","0.035","","","0.0808","0.0832","","","","","","1.051","","","","has coordinates","226888","2020-10-21","18:00:00",""
"4035431","15.0636","0.0003","15.0636","0.0003","15.9737","0.0004","90","","90","","120","","3139.02","0.12","93","2","93","2","","","","","","","","3","P 63","P 6c","173","","","","- C22 H36.67 O5.33 -","- C22 H36.6666 O5.33333 -","- C132 H220 O32 -","6","1","","Ma, Xiaoshen; Kucera, Roman; Goethe, Olivia F.; Murphy, Stephen K.; Herzon, Seth B.","Directed C-H Bond Oxidation of (+)-Pleuromutilin.","The Journal of organic chemistry","2018","83","13","6843","6892","10.1021/acs.joc.8b00462","","","0.71073","MoKα","","0.0387","0.0363","","","0.0899","0.0917","","","","","","1.052","","","","has coordinates","226889","2020-10-21","18:00:00",""
"4035432","8.8592","0.0002","11.6523","0.0003","20.1519","0.0005","90","","94.419","0.001","90","","2074.1","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 I O3 Si -","- C19 H29 I O3 Si -","- C76 H116 I4 O12 Si4 -","4","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.0366","0.0309","","","0.076","0.0796","","","","","","1.036","","","","has coordinates","226890","2020-10-21","18:00:00",""
"4035433","8.5538","0.0002","11.1673","0.0003","11.3188","0.0003","69.274","0.001","86.658","0.001","72.273","0.001","961.73","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H30 O3 -","- C22 H30 O3 -","- C44 H60 O6 -","2","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.053","0.0437","","","0.1258","0.1361","","","","","","1.037","","","","has coordinates","226891","2020-10-21","18:00:00",""
"4035434","9.9858","0.0006","14.2162","0.0009","14.3837","0.0008","91.181","0.004","107.099","0.004","100.012","0.004","1916.3","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H56 O6 -","- C42 H56 O6 -","- C84 H112 O12 -","2","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.2135","0.1562","","","0.2574","0.284","","","","","","1.238","","","","has coordinates,has disorder","226892","2020-10-21","18:00:00",""
"4035435","10.585","0.0005","15.1637","0.0007","15.7734","0.0007","73.285","0.003","85.172","0.003","89.787","0.003","2415.6","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 O3 Si -","- C24 H36 O3 Si -","- C96 H144 O12 Si4 -","4","2","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.1225","0.0742","","","0.1603","0.1833","","","","","","1.066","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4035436","19.3123","0.0006","11.7684","0.0004","10.9877","0.0004","90","","90","","90","","2497.23","0.15","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H40 O3 Si2 -","- C22 H40 O3 Si2 -","- C88 H160 O12 Si8 -","4","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.0577","0.0439","","","0.0991","0.1068","","","","","","1.027","","","","has coordinates","226894","2020-10-21","18:00:00",""
"4035437","9.3158","0.0002","13.3076","0.0003","14.9944","0.0003","77.281","0.001","88.982","0.001","76.424","0.001","1761.46","0.07","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H58 O6 -","- C38 H58 O6 -","- C76 H116 O12 -","2","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.0745","0.0554","","","0.1551","0.1707","","","","","","1.019","","","","has coordinates,has disorder","226895","2020-10-21","18:00:00",""
"4035438","5.0861","0.0007","25.238","0.004","7.1023","0.0013","90","","99.505","0.002","90","","899.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 Br2 N2 O4 -","- C14 H26 Br2 N2 O4 -","- C28 H52 Br4 N4 O8 -","2","1","","Ding, Hui; Roberts, Andrew G.; Chiang, Rocky; Harran, Patrick G.","Cascading Auto-oxidative Biproline Guanylations Form Optically Active Dispacamide Dimers and Permit an Eight-Step Synthesis of (-)-Ageliferin.","The Journal of organic chemistry","2018","83","13","7231","7238","10.1021/acs.joc.8b00631","","","0.71073","MoKα","","0.025","0.0226","","","0.0449","0.0454","","","","","","0.918","","","","has coordinates","226896","2020-10-21","18:00:00",""
"4035439","17.808","0.006","7.964","0.003","21.315","0.007","90","","112.289","0.003","90","","2797.1","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 N4 O7 S -","- C26 H36 N4 O7 S -","- C104 H144 N16 O28 S4 -","4","2","","Ding, Hui; Roberts, Andrew G.; Chiang, Rocky; Harran, Patrick G.","Cascading Auto-oxidative Biproline Guanylations Form Optically Active Dispacamide Dimers and Permit an Eight-Step Synthesis of (-)-Ageliferin.","The Journal of organic chemistry","2018","83","13","7231","7238","10.1021/acs.joc.8b00631","","","0.71073","MoKα","","0.1583","0.0613","","","0.0982","0.1247","","","","","","1.023","","","","has coordinates,has disorder","226897","2020-10-21","18:00:00",""
"4035440","7.3874","0.0003","8.0591","0.0004","10.8556","0.0005","96.711","0.002","104.962","0.002","105.019","0.002","591.25","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","methyl 2-diazo-3-(2-azido-3-methylphenyl)-3-oxopropanoate","","- C11 H9 N5 O3 -","- C11 H9 N5 O3 -","- C22 H18 N10 O6 -","2","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","1.54178","CuKα","","0.0369","0.0328","","","0.089","0.0919","","","","","","1.056","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035441","11.917","0.0004","7.9729","0.0003","15.3812","0.0005","90","","92.5421","0.0004","90","","1459.98","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","0.71073","MoKα","","0.0413","0.0355","","","0.0921","0.0965","","","","","","1.042","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035442","12.1387","0.0002","8.0853","0.0002","15.9792","0.0003","90","","98.1986","0.0006","90","","1552.25","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl N2 O3 -","- C18 H13 Cl N2 O3 -","- C72 H52 Cl4 N8 O12 -","4","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","1.54178","CuKα","","0.0312","0.0303","","","0.0815","0.0822","","","","","","1.061","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035443","11.0321","0.0005","11.4646","0.0005","11.5824","0.0005","90","","95.6775","0.0006","90","","1457.74","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 N2 O3 -","- C34 H36 N2 O3 -","- C68 H72 N4 O6 -","2","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","0.71073","MoKα","","0.0461","0.0385","","","0.0903","0.0952","","","","","","1.033","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035444","9.47108","0.00012","11.24253","0.00017","30.714","0.0004","90","","90","","90","","3270.39","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O6 Si2 -","- C30 H54 O6 Si2 -","- C120 H216 O24 Si8 -","4","1","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","1.5418","CuKα","","0.0338","0.0336","","","0.0884","0.0885","","","","","","1.086","","","","has coordinates","226899","2020-10-21","18:00:00",""
"4035445","8.538","0.0005","14.3233","0.0009","19.3139","0.0012","69.177","0.006","77.656","0.005","85.101","0.005","2156.5","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 O10 Si -","- C40 H56 O10 Si -","- C80 H112 O20 Si2 -","2","1","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","0.71073","MoKα","","0.2379","0.0971","","","0.1751","0.2499","","","","","","1.003","","","","has coordinates","226900","2020-10-21","18:00:00",""
"4035446","13.8165","0.0011","16.1678","0.0012","17.3578","0.0017","80.09","0.007","81.32","0.007","77.271","0.007","3699.8","0.6","180.01","0.1","180.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C124 H152 O44 -","4","2","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","0.71073","MoKα","","0.179","0.0882","","","0.1817","0.2179","","","","","","0.834","","","","has coordinates","226901","2020-10-21","18:00:00",""
"4035447","12.36","0.003","11.2021","0.0016","15.01","0.003","90","","112.76","0.02","90","","1916.4","0.7","291.3","0.1","291.3","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O6 -","- C22 H30 O6 -","- C88 H120 O24 -","4","1","","Sun, Tian-Wen; Liu, Dong-Dong; Wang, Kuang-Yu; Tong, Bing-Qi; Xie, Jia-Xin; Jiang, Yan-Long; Li, Yong; Zhang, Bo; Liu, Yi-Fan; Wang, Yuan-Xian; Zhang, Jia-Jun; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 1. Diastereoselective Synthesis of CDEFGH Ring System.","The Journal of organic chemistry","2018","83","13","6893","6906","10.1021/acs.joc.7b02915","","","0.71073","MoKα","","0.1012","0.0554","","","0.1104","0.1272","","","","","","1.012","","","","has coordinates","226902","2020-10-21","18:00:00",""
"4035448","9.9065","0.0003","6.007","0.0002","11.3732","0.0003","90","","95.001","0.001","90","","674.22","0.04","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 O4 -","- C11 H18 N4 O4 -","- C22 H36 N8 O8 -","2","1","","Zwick, 3rd, Christian R; Renata, Hans","Evolution of Biocatalytic and Chemocatalytic C-H Functionalization Strategy in the Synthesis of Manzacidin C.","The Journal of organic chemistry","2018","83","14","7407","7415","10.1021/acs.joc.8b00248","","x-ray","1.54178","CuKα","K-L~3~","0.0266","0.026","","","0.069","0.0695","","","","","","1.048","","","","has coordinates","226903","2020-10-21","18:00:00",""
"4035449","5.797","0.003","8.787","0.004","24.255","0.011","90","","90.072","0.006","90","","1235.5","1","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Jin, Xiao-Yang; Xie, Li-Jun; Cheng, Hou-Ping; Liu, An-Di; Li, Xue-Dong; Wang, Dong; Cheng, Liang; Liu, Li","Ruthenium-Catalyzed Decarboxylative C-H Alkenylation in Aqueous Media: Synthesis of Tetrahydropyridoindoles.","The Journal of organic chemistry","2018","83","14","7514","7522","10.1021/acs.joc.8b00229","","","0.71073","MoKα","","0.0977","0.0836","","","0.1511","0.1611","","","","","","1.245","","","","has coordinates,has disorder","226904","2020-10-21","18:00:00",""
"4035450","31.242","0.002","11.0682","0.0006","20.7564","0.0012","90","","108.866","0.007","90","","6791.8","0.7","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 Cl12 N2 -","- C68 H72 Cl12 N2 -","- C272 H288 Cl48 N8 -","4","1","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","x-ray","0.71073","MoKα","","0.217","0.1318","","","0.3449","0.4114","","","","","","1.126","","","","has coordinates,has disorder","226905","2020-10-21","18:00:00",""
"4035451","9.476","0.002","32.295","0.008","17.436","0.005","90","","90","","90","","5336","2","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H36 Br N -","- C32 H36 Br N -","- C256 H288 Br8 N8 -","8","4","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","","0.71073","MoKα","","0.1091","0.0374","","","0.0667","0.0836","","","","","","0.531","","","","has coordinates","226906","2020-10-21","18:00:00",""
"4035452","9.4747","0.0003","32.2996","0.0016","17.4267","0.0009","90","","90.412","0.004","90","","5332.9","0.4","293.7","0.1","293.7","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H36 Br N -","- C32 H36 Br N -","- C256 H288 Br8 N8 -","8","4","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","x-ray","0.71073","MoKα","","0.1862","0.0765","","","0.0877","0.1229","","","","","","0.992","","","","has coordinates","226907","2020-10-21","18:00:00",""
"4035453","22.5648","0.0012","20.7782","0.0014","7.6518","0.0004","90","","90","","90","","3587.6","0.4","283.15","0.1","283.15","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 O8 -","- C42 H42 O8 -","- C168 H168 O32 -","4","1","","Wang, Yong; Liu, Miao; Liu, Lei; Xia, Jian-Hui; Du, Yu-Guo; Sun, Jian-Song","The Structural Revision and Total Synthesis of Carambolaflavone A.","The Journal of organic chemistry","2018","83","7","4111","4118","10.1021/acs.joc.8b00008","","x-ray","0.71073","MoKα","","0.0606","0.0452","","","0.091","0.0984","","","","","","1.079","","","","has coordinates","226908","2020-10-21","18:00:00",""
"4035454","15.368","0.004","14.888","0.004","7.803","0.002","90","","102.365","0.003","90","","1743.9","0.8","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H14 N2 O3 S -","- C20 H14 N2 O3 S -","- C80 H56 N8 O12 S4 -","4","1","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0341","0.0311","","","0.0817","0.0838","","","","","","1.079","","","","has coordinates","226909","2020-10-21","18:00:00",""
"4035455","12.5986","0.0009","5.4124","0.0003","18.4775","0.0011","90","","103.601","0.004","90","","1224.62","0.13","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O3 S -","- C14 H10 N2 O3 S -","- C56 H40 N8 O12 S4 -","4","1","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0345","0.0326","","","0.0876","0.0898","","","","","","1.069","","","","has coordinates","226910","2020-10-21","18:00:00",""
"4035456","10.1694","0.0006","10.3495","0.0006","16.9897","0.001","85.344","0.002","74.159","0.002","70.068","0.002","1617.04","0.17","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 O2 S -","- C20 H14 N2 O2 S -","- C80 H56 N8 O8 S4 -","4","2","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0719","0.0616","","","0.1972","0.2082","","","","","","1.076","","","","has coordinates","226911","2020-10-21","18:00:00",""
"4035457","7.9088","0.0004","12.3678","0.0006","29.3373","0.0015","90","","90","","90","","2869.6","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O5 S -","- C16 H13 N O5 S -","- C128 H104 N8 O40 S8 -","8","2","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.0353","0.0307","","","0.0693","0.0719","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4035458","7.7133","0.0002","7.17114","0.00015","15.5989","0.0004","90","","103.88","0.003","90","","837.63","0.04","294","1","294","1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","4-((1S,2S,3S,5S,6R)-1-formyl-2,3-dimethyl-4-oxobicyclo[3.1.0]hexan-6-yl) -2-methoxyphenyl acetate","","- C18 H20 O5 -","- C18 H20 O5 -","- C36 H40 O10 -","2","1","","Riaño, Iker; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Vicario, Jose L.","Organocatalytic Transannular Approach to Stereodefined Bicyclo[3.1.0]hexanes.","The Journal of organic chemistry","2018","83","7","4180","4189","10.1021/acs.joc.8b00165","","","1.54184","CuKα","","0.0407","0.038","","","0.1056","0.1091","","","","","","1.078","","","","has coordinates","226913","2020-10-21","18:00:00",""
"4035459","5.63132","0.00006","12.43413","0.0001","19.06466","0.00016","90","","90","","90","","1334.92","0.02","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3S,5S,6R)-6-(4-bromophenyl)-2,3-dimethyl-4-oxobicyclo[3.1.0]hexane -1-carbaldehyde","","- C15 H15 Br O2 -","- C15 H15 Br O2 -","- C60 H60 Br4 O8 -","4","1","","Riaño, Iker; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Vicario, Jose L.","Organocatalytic Transannular Approach to Stereodefined Bicyclo[3.1.0]hexanes.","The Journal of organic chemistry","2018","83","7","4180","4189","10.1021/acs.joc.8b00165","","","1.54184","CuKα","","0.0179","0.0174","","","0.0451","0.0454","","","","","","1.094","","","","has coordinates","226914","2020-10-21","18:00:00",""
"4035460","15.2591","0.0003","6.82403","0.00012","37.8298","0.0007","90","","90","","90","","3939.16","0.13","123","","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Si -","- C26 H22 Si -","- C208 H176 Si8 -","8","1","","Shibata, Takanori; Uno, Ninna; Sasaki, Tomoya; Takano, Hideaki; Sato, Tatsuki; Kanyiva, Kyalo Stephen","Ir-Catalyzed Synthesis of Substituted Tribenzosilepins by Dehydrogenative C-H/Si-H Coupling.","The Journal of organic chemistry","2018","83","7","3426","3432","10.1021/acs.joc.8b00233","","","1.54187","CuKα","","0.0395","0.0372","","","0.1017","0.1035","","","","","","1.04","","","","has coordinates","226915","2020-10-21","18:00:00",""
"4035461","9.985","0.006","19.848","0.009","10.7","0.006","90","","110.13","0.03","90","","1991","1.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C100 H96 N8 -","4","1","","Alvim, Haline G. O.; Correa, Jose R.; Assumpção, José A F; da Silva, Wender A.; Rodrigues, Marcelo O.; de Macedo, Julio L.; Fioramonte, Mariana; Gozzo, Fabio C.; Gatto, Claudia C.; Neto, Brenno A. D.","Heteropolyacid-Containing Ionic Liquid-Catalyzed Multicomponent Synthesis of Bridgehead Nitrogen Heterocycles: Mechanisms and Mitochondrial Staining.","The Journal of organic chemistry","2018","83","7","4044","4053","10.1021/acs.joc.8b00472","","","0.71073","MoKα","","0.3585","0.0765","","","0.1338","0.2188","","","","","","0.892","","","","has coordinates","226916","2020-10-21","18:00:00",""
"4035462","7.765","0.005","8.873","0.006","9.701","0.01","104.552","0.013","105.653","0.014","109.975","0.009","559.6","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H30 O6 -","- C26 H30 O6 -","- C26 H30 O6 -","1","0.5","","Mao, Weipeng; Zhan, Shuaijun; Zhu, Bowei; Ma, Da","Step-Growth Cyclo-Oligomerization for the Preparation of Di- and Tetrafunctionalized Pillar[5]arenes.","The Journal of organic chemistry","2018","83","7","4147","4152","10.1021/acs.joc.8b00073","","","0.71073","MoKα","","0.0653","0.0498","","","0.157","0.1749","","","","","","0.991","","","","has coordinates","226917","2020-10-21","18:00:00",""
"4035463","12.456","0.003","7.819","0.0019","16.034","0.004","90","","97.129","0.004","90","","1549.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Mao, Weipeng; Zhan, Shuaijun; Zhu, Bowei; Ma, Da","Step-Growth Cyclo-Oligomerization for the Preparation of Di- and Tetrafunctionalized Pillar[5]arenes.","The Journal of organic chemistry","2018","83","7","4147","4152","10.1021/acs.joc.8b00073","","","0.71073","MoKα","","0.0684","0.0456","","","0.1407","0.1648","","","","","","1.083","","","","has coordinates","226918","2020-10-21","18:00:00",""
"4035464","18.7921","0.0002","27.7246","0.0004","7.6833","0.0001","90","","90","","90","","4003.03","0.09","100.01","0.1","100.01","0.1","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C34 H18 -","- C34 H18 -","- C272 H144 -","8","2","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.037","0.0337","","","0.0872","0.0896","","","","","","1.032","","","","has coordinates","226919","2020-10-21","18:00:00",""
"4035465","7.3866","0.0003","17.1147","0.0006","17.5278","0.0005","79.631","0.003","83.64","0.003","89.884","0.003","2165.89","0.13","99.99","0.13","99.99","0.13","","","","","","","","2","P 1","P 1","1","","","","- C35.75 H20 -","- C35.75 H20 -","- C143 H80 -","4","4","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.0843","0.073","","","0.1884","0.1981","","","","","","1.045","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035466","26.3604","0.0004","9.2591","0.0002","8.1138","0.0001","90","","90","","90","","1980.36","0.06","100.01","0.16","100.01","0.16","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C34 H18 -","- C34 H18 -","- C136 H72 -","4","0.5","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.0308","0.0292","","","0.0785","0.0798","","","","","","1.083","","","","has coordinates","226921","2020-10-21","18:00:00",""
"4035467","12.6402","0.0006","5.7117","0.0003","14.0248","0.0007","90","","94.438","0.005","90","","1009.51","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O2 S2 -","- C20 H26 N2 O2 S2 -","- C40 H52 N4 O4 S4 -","2","1","","Zhang, Lei; Sun, Beiqi; Liu, Qianyi; Mo, Fanyang","Addition of Diazo Compounds ipso-C-H Bond to Carbon Disulfide: Synthesis of 1,2,3-Thiadiazoles under Mild Conditions.","The Journal of organic chemistry","2018","83","7","4275","4278","10.1021/acs.joc.8b00383","","x-ray","0.71073","MoKα","","0.0362","0.0342","","","0.0894","0.0908","","","","","","1.04","","","","has coordinates","226922","2020-10-21","18:00:00",""
"4035468","52.9571","0.0012","8.5386","0.0002","11.2085","0.0003","90","","90.471","0.001","90","","5068.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C60 H82 O6 -","- C60 H82 O6 -","- C240 H328 O24 -","4","1","","Mayorquín-Torres, Martha C; Colin-Molina, Abraham; Pérez-Estrada, Salvador; Galano, Annia; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis, Characterization, and Solid State Dynamic Studies of a Hydrogen Bond-Hindered Steroidal Molecular Rotor with a Flexible Axis.","The Journal of organic chemistry","2018","83","7","3768","3779","10.1021/acs.joc.8b00134","","","1.54178","CuKα","","0.0304","0.03","","","0.0789","0.0793","","","","","","1.045","","","","has coordinates","226923","2020-10-21","18:00:00",""
"4035469","52.9807","0.0017","8.7257","0.0003","11.2549","0.0004","90","","91.479","0.002","90","","5201.3","0.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C60 H82 O6 -","- C60 H82 O6 -","- C240 H328 O24 -","4","1","","Mayorquín-Torres, Martha C; Colin-Molina, Abraham; Pérez-Estrada, Salvador; Galano, Annia; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis, Characterization, and Solid State Dynamic Studies of a Hydrogen Bond-Hindered Steroidal Molecular Rotor with a Flexible Axis.","The Journal of organic chemistry","2018","83","7","3768","3779","10.1021/acs.joc.8b00134","","","1.54178","CuKα","","0.0366","0.0358","","","0.1013","0.1028","","","","","","1.035","","","","has coordinates","226924","2020-10-21","18:00:00",""
"4035470","9.8978","0.0006","10.2382","0.0007","14.8927","0.001","70.864","0.001","81.893","0.001","62.465","0.001","1264.17","0.14","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H28 N2 O3 -","- C33 H27 N2 O3 -","- C66 H54 N4 O6 -","2","2","","Guo, Jiaomei; Bai, Xuguan; Wang, Qilin; Bu, Zhanwei","Diastereoselective Construction of Indole-Bridged Chroman Spirooxindoles through a TfOH-Catalyzed Michael Addition-Inspired Cascade Reaction.","The Journal of organic chemistry","2018","83","7","3679","3687","10.1021/acs.joc.8b00035","","","0.71073","MoKα","","0.062","0.0549","","","0.1411","0.1474","","","","","","1.02","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4035471","9.3777","0.0009","10.5101","0.0012","13.0183","0.0013","90","","90","","90","","1283.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.0489","0.0396","","","0.0998","0.1053","","","","","","1.051","","","","has coordinates","226926","2020-10-21","18:00:00",""
"4035472","6.2149","0.0017","5.5203","0.0015","19.393","0.005","90","","93.525","0.004","90","","664.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.0548","0.0417","","","0.0892","0.0951","","","","","","1.054","","","","has coordinates","226927","2020-10-21","18:00:00",""
"4035473","5.334","0.0014","28.191","0.008","13.242","0.004","90","","90.465","0.004","90","","1991.1","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C84 H90 N18 O18 -","6","3","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.128","0.0618","","","0.1201","0.1519","","","","","","0.992","","","","has coordinates","226928","2020-10-21","18:00:00",""
"4035474","14.599","0.009","8.435","0.005","21.018","0.013","90","","95.832","0.011","90","","2575","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H74 B2 -","- C66 H74 B2 -","- C132 H148 B4 -","2","0.5","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.0685","0.0495","","","0.1203","0.131","","","","","","1.051","","","","has coordinates,has disorder","226929","2020-10-21","18:00:00",""
"4035475","13.962","0.003","8.105","0.0016","23.041","0.01","90","","99.88","0.02","90","","2568.7","1.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 B2 -","- C66 H68 B2 -","- C132 H136 B4 -","2","0.5","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.0662","0.052","","","0.1184","0.1246","","","","","","1.113","","","","has coordinates,has disorder","226930","2020-10-21","18:00:00",""
"4035476","40.616","0.011","9.877","0.003","17.437","0.005","90","","94.598","0.01","90","","6973","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H49.5 B2 N0.5 O4 -","- C37 H49.5 B2 N0.5 O4 -","- C296 H396 B16 N4 O32 -","8","1","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.1444","0.0785","","","0.206","0.2475","","","","","","1.047","","","","has coordinates,has disorder","226931","2020-10-21","18:00:00",""
"4035477","10.873","0.009","11.235","0.008","13.671","0.012","90","","105.1","0.03","90","","1612","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 B2 O4 -","- C36 H48 B2 O4 -","- C72 H96 B4 O8 -","2","0.5","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.0546","0.0462","","","0.1172","0.1232","","","","","","1.061","","","","has coordinates","226932","2020-10-21","18:00:00",""
"4035478","7.8846","0.0003","11.677","0.0005","13.4919","0.0006","90","","99.108","0.004","90","","1226.52","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl N4 O -","- C13 H11 Cl N4 O -","- C52 H44 Cl4 N16 O4 -","4","1","","Luo, Zheng; Jiang, Ziyang; Jiang, Wei; Lin, Dongen","C-H Amination of Purine Derivatives via Radical Oxidative Coupling.","The Journal of organic chemistry","2018","83","7","3710","3718","10.1021/acs.joc.8b00066","","x-ray","0.71073","MoKα","","0.0521","0.0402","","","0.0891","0.0967","","","","","","1.06","","","","has coordinates","226933","2020-10-21","18:00:00",""
"4035479","11.626","0.005","12.534","0.005","13.719","0.006","90","","95.573","0.007","90","","1989.7","1.5","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'2-O-tosyl-6-O-benzoyl-myo-inositol 1,3,5-orthoformate'","","- C21 H20 O9 S -","- C21 H20 O9 S -","- C84 H80 O36 S4 -","4","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.0849","0.0554","","","0.1241","0.1364","","","","","","1.036","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035480","6.8984","0.0012","36.23","0.007","8.3985","0.0015","90","","96.013","0.003","90","","2087.5","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'2,6-Di-O-(4-iodobenzoyl)-myo-inositol 1,3,5-orthoformate'","","- C21 H16 I2 O8 -","- C21 H16 I2 O8 -","- C84 H64 I8 O32 -","4","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.0353","0.0294","","","0.0619","0.0642","","","","","","1.083","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035481","6.8474","0.0015","11.558","0.003","13.858","0.003","108.274","0.004","98.891","0.004","90.87","0.004","1026.6","0.4","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","'2,6-di-O-(4-toluoyl) myo-inositol 1,3,5-orthoformate'","","- C23 H22 O8 -","- C23 H22 O8 -","- C46 H44 O16 -","2","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.1209","0.0775","","","0.1411","0.1571","","","","","","1.149","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035482","27.213","0.004","7.7759","0.0012","6.5598","0.001","90","","90","","90","","1388.1","0.4","297","2","297","2","","","","","","","","3","P n a 21","P 2c -2n","33","","'2-O-(4-toluoyl)myo-inositol 1,3,5-orthoformate'","","- C15 H16 O7 -","- C15 H16 O7 -","- C60 H64 O28 -","4","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.031","0.0293","","","0.0794","0.0808","","","","","","1.043","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035483","12.183","0.002","5.5641","0.0011","14.891","0.003","90","","104.08","0.03","90","","979.1","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H17 Cl O6 -","- C24 H17 Cl O6 -","- C48 H34 Cl2 O12 -","2","1","","Cui, Liying; Lv, Dan; Wang, Youming; Fan, Zhijin; Li, Zhengming; Zhou, Zhenghong","Asymmetric Formal [4 + 2] Annulation of o-Quinone Methides with β-Keto Acylpyrazoles: A General Approach to Optically Active trans-3,4-Dihydrocoumarins.","The Journal of organic chemistry","2018","83","7","4221","4228","10.1021/acs.joc.8b00234","","","0.71073","MoKα","","0.0784","0.0547","","","0.1165","0.1747","","","","","","1.053","","","","has coordinates","226935","2020-10-21","18:00:00",""
"4035484","10.0828","0.0004","31.5519","0.0011","9.4547","0.0005","90","","110.038","0.0013","90","","2825.8","0.2","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 O -","- C38 H28 O -","- C152 H112 O4 -","4","0.5","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","0.71075","MoKα","","0.1209","0.0756","","","0.2014","0.2341","","","","","","1.099","","","","has coordinates","226936","2020-10-21","18:00:00",""
"4035485","16.589","0.001","9.0335","0.0004","20.6981","0.001","90","","94.977","0.007","90","","3090.1","0.3","200","","200","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C82 H76 O3 -","- C82 H76 O3 -","- C164 H152 O6 -","2","0.5","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","0.71075","MoKα","","0.0882","0.053","","","0.1323","0.1491","","","","","","1.024","","","","has coordinates,has disorder","226937","2020-10-21","18:00:00",""
"4035486","22.5468","0.0019","10.4722","0.0009","7.3277","0.0005","90","","107.751","0.005","90","","1647.8","0.2","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","1.54178","CuKα","","0.0277","0.0274","","","0.0697","0.0699","","","","","","1.048","","","","has coordinates,has disorder","226938","2020-10-21","18:00:00",""
"4035487","11.7563","0.0019","5.3917","0.0008","12.861","0.002","90","","104.529","0.008","90","","789.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0898","0.0505","","","0.1037","0.118","","","","","","1.016","","","","has coordinates","226939","2020-10-21","18:00:00",""
"4035488","8.2463","0.0002","10.3683","0.0003","19.3151","0.0005","90","","90","","90","","1651.44","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","1.54178","CuKα","","0.0268","0.0252","","","0.0607","0.0619","","","","","","1.07","","","","has coordinates","226940","2020-10-21","18:00:00",""
"4035489","6.2274","0.00018","14.7184","0.0005","20.121","0.0006","90","","90","","90","","1844.24","0.1","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.5418","CuKα","","0.0434","0.0399","","","0.1095","0.1153","","","","","","0.885","","","","has coordinates","226941","2020-10-21","18:00:00",""
"4035490","5.97161","0.00005","24.9992","0.0002","25.2644","0.0002","90","","90","","90","","3771.61","0.05","100","1","100","1","","","","","","","","3","P 2 21 21","P 2bc 2","18","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C168 H256 O32 -","8","2","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.54184","CuKα","","0.0274","0.0266","","","0.091","0.0924","","","","","","0.873","","","","has coordinates","226942","2020-10-21","18:00:00",""
"4035491","8.722","0.0001","11.3175","0.0001","18.7629","0.0002","90","","90","","90","","1852.11","0.03","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.54184","CuKα","","0.043","0.0427","","","0.112","0.1123","","","","","","1.02","","","","has coordinates,has disorder","226943","2020-10-21","18:00:00",""
"4035492","10.9916","0.0006","21.3314","0.0011","13.3154","0.0006","90","","99.544","0.002","90","","3078.8","0.3","296","","296","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 F6 N2 O3 Ru S Sb -","- C27 H31 F6 N2 O3 Ru S Sb -","- C108 H124 F24 N8 O12 Ru4 S4 Sb4 -","4","1","","Tamizmani, Masilamani; Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Redox-Free [3 + 2] Cycloaddition of N-Sulfonyl Aromatic Aldimines with Maleimides.","The Journal of organic chemistry","2018","83","7","3746","3755","10.1021/acs.joc.8b00102","","","0.71073","MoKα","","0.1412","0.0678","","","0.1796","0.2304","","","","","","1.048","","","","has coordinates,has disorder","226944","2020-10-21","18:00:00",""
"4035493","14.4975","0.0012","25.501","0.002","14.6934","0.0012","90","","109.674","0.002","90","","5115","0.7","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80.9 H41.79 Al2 Cl1.79 F72 N2 O12 S2 -","- C80.892 H41.784 Al2 Cl1.784 F72 N2 O12 S2 -","- C161.784 H83.568 Al4 Cl3.568 F144 N4 O24 S4 -","2","0.5","","Li, Shuyu; Yuan, Ningning; Fang, Yong; Chen, Chao; Wang, Lei; Feng, Rui; Zhao, Yue; Cui, Haiyan; Wang, Xinping","Studies on the Bridge Dependence of Bis(triarylamine) Diradical Dications: Long-Range π-Conjugation and π-π Coupling Systems.","The Journal of organic chemistry","2018","83","7","3651","3656","10.1021/acs.joc.8b00003","","","0.71073","MoKα","","0.1213","0.0933","","","0.2688","0.2895","","","","","","1.191","","","","has coordinates,has disorder","226945","2020-10-21","18:00:00",""
"4035494","11.3277","0.0005","16.5513","0.0007","26.5773","0.001","90","","90.3632","0.0013","90","","4982.8","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H44 Al2 F72 N2 O12 -","- C84.004 H44 Al2 F72.009 N2 O12.001 -","- C168.008 H88 Al4 F144.018 N4 O24.002 -","2","0.5","","Li, Shuyu; Yuan, Ningning; Fang, Yong; Chen, Chao; Wang, Lei; Feng, Rui; Zhao, Yue; Cui, Haiyan; Wang, Xinping","Studies on the Bridge Dependence of Bis(triarylamine) Diradical Dications: Long-Range π-Conjugation and π-π Coupling Systems.","The Journal of organic chemistry","2018","83","7","3651","3656","10.1021/acs.joc.8b00003","","","0.71073","MoKα","","0.0761","0.0554","","","0.1374","0.1484","","","","","","1.077","","","","has coordinates,has disorder","226945","2020-10-21","18:00:00",""
"4035495","10.3012","0.0009","26.935","0.002","20.455","0.002","90","","101.508","0.003","90","","5561.4","0.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H68 Al2 F72 N2 O14 -","- C96 H68 Al2 F72 N2 O14 -","- C192 H136 Al4 F144 N4 O28 -","2","0.5","","Li, Shuyu; Yuan, Ningning; Fang, Yong; Chen, Chao; Wang, Lei; Feng, Rui; Zhao, Yue; Cui, Haiyan; Wang, Xinping","Studies on the Bridge Dependence of Bis(triarylamine) Diradical Dications: Long-Range π-Conjugation and π-π Coupling Systems.","The Journal of organic chemistry","2018","83","7","3651","3656","10.1021/acs.joc.8b00003","","","0.71073","MoKα","","0.1132","0.0771","","","0.1502","0.1652","","","","","","1.145","","","","has coordinates","226945","2020-10-21","18:00:00",""
"4035496","11.6873","0.0003","15.3134","0.0003","14.6013","0.0004","90","","110.631","0.003","90","","2445.64","0.11","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C106 H110 N2 O3 P2 -","- C106 H110 N2 O3 P2 -","- C106 H110 N2 O3 P2 -","1","0.5","","Sun, Weiye; Gu, Haorui; Lin, Xufeng","Synthesis and Application of Hexamethyl-1,1'-spirobiindane-Based Phosphine-Oxazoline Ligands in Ni-Catalyzed Asymmetric Arylation of Cyclic Aldimines.","The Journal of organic chemistry","2018","83","7","4034","4043","10.1021/acs.joc.8b00422","","","1.54184","CuKα","","0.0637","0.0585","","","0.1537","0.1623","","","","","","1.046","","","","has coordinates","226946","2020-10-21","18:00:00",""
"4035497","4.5911","0.0002","14.4019","0.0004","12.1555","0.0004","90","","90.25","0.003","90","","803.72","0.05","297.28","0.12","297.28","0.12","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C42 H28 N4 O4 -","2","1","","Guo, Shenghai; Wang, Fang; Tao, Li; Zhang, Xinying; Fan, Xuesen","Solvent-Dependent Copper-Catalyzed Indolyl C3-Oxygenation and N1-Cyclization Reactions: Selective Synthesis of 3 H-Indol-3-ones and Indolo[1,2- c]quinazolines.","The Journal of organic chemistry","2018","83","7","3889","3896","10.1021/acs.joc.8b00231","","","1.54184","CuKα","","0.0512","0.0446","","","0.1108","0.1167","","","","","","1.048","","","","has coordinates","226947","2020-10-21","18:00:00",""
"4035498","4.6227","0.0008","11.994","0.002","13.207","0.002","98.937","0.015","97.255","0.015","94.801","0.014","713.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","CCDC 1540291_Compound 1_SB55_2_a","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.7153","synchrotron","","0.0734","0.0663","","","0.1682","0.1756","","","","","","1.036","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035499","6.488","0.01","38.42","0.06","6.892","0.01","90","","92.78","0.05","90","","1716","5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CCDC 1540293_Compound 3_SB20_2ndcrystal_0m","","","- C38 H54 N4 O11 -","- C38 H40 N4 O10 -","- C76 H80 N8 O20 -","2","0.5","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.71073","MoKα","","0.0772","0.0502","","","0.1331","0.1479","","","","","","1.026","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035500","13.222","0.008","8.278","0.006","18.419","0.01","90","","104.06","0.018","90","","1956","2","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CCDC 1540294_Compound 5_SB22_fromTHF","","","- C42 H62 N4 O11 -","- C42 H48 N4 O10 -","- C84 H96 N8 O20 -","2","0.5","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.71073","MoKα","","0.0479","0.0405","","","0.1357","0.1473","","","","","","1.258","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035501","5.0825","0.0012","10.495","0.003","13.156","0.003","90","","100.552","0.009","90","","689.9","0.3","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CCDC 1540292_Compound 6_SB97d_2_0m","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","0.5","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.71073","MoKα","","0.0935","0.0744","","","0.1963","0.2159","","","","","","1.101","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035502","8.4637","0.0018","10.759","0.002","12.736","0.002","81.726","0.006","82.755","0.006","79.692","0.006","1123.1","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","1,3-dimethylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione","1,3-dimethylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","2","","Panday, Anoop Kumar; Mishra, Richa; Jana, Asim; Parvin, Tasneem; Choudhury, Lokman H.","Synthesis of Pyrimidine Fused Quinolines by Ligand-Free Copper-Catalyzed Domino Reactions.","The Journal of organic chemistry","2018","83","7","3624","3632","10.1021/acs.joc.7b03272","","","0.71073","MoKα","","0.1265","0.0638","","","0.1428","0.1808","","","","","","1.02","","","","has coordinates","226950","2020-10-21","18:00:00",""
"4035503","16.2526","0.0004","16.9979","0.0005","14.2159","0.0005","90","","90","","90","","3927.3","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H21.25 N O5.25 -","- C22 H21.25 N O5.25 -","- C176 H170 N8 O42 -","8","1","","Annamalai, Pratheepkumar; Hsu, Kou-Chi; Raju, Selvam; Hsiao, Huan-Chang; Chou, Chih-Wei; Lin, Gu-Ying; Hsieh, Cheng-Ming; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium(II)-Catalyzed Mono- and Bis-alkenylation of N-Acetyl-2-aminobiaryls through Regioselective C-H Bond Activation.","The Journal of organic chemistry","2018","83","7","3840","3856","10.1021/acs.joc.8b00194","","","1.54178","CuKα","","0.09","0.0539","","","0.1471","0.1808","","","","","","1","","","","has coordinates","226951","2020-10-21","18:00:00",""
"4035504","10.9048","0.0001","11.1714","0.0001","17.3132","0.0001","90","","95.541","0.001","90","","2099.27","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-cyano-1-methyl-3-(4-methoxyphenyl)-2-(2-phenylsulfonylethyl)piperidine","","- C22 H24 N2 O3 S -","- C22 H24 N2 O3 S -","- C88 H96 N8 O12 S4 -","4","1","","Kowalkowska, Anna; Jończyk, Andrzej; Maurin, Jan K.","Domino Reaction of Pyrrolidinium Ylides: Michael Addition/[1,2]-Stevens Rearrangement.","The Journal of organic chemistry","2018","83","7","4105","4110","10.1021/acs.joc.7b03278","","x-ray","1.54184","CuKα","","0.0494","0.0444","","","0.1302","0.1368","","","","","","1.064","","","","has coordinates","226952","2020-10-21","18:00:00",""
"4035505","7.1292","0.0001","9.773","0.0001","21.1929","0.0002","90","","95.177","0.001","90","","1470.56","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-cyano-2-(2-cyanoethyl)1-methyl-3-phenylpiperidine","","- C16 H19 N3 -","- C16 H19 N3 -","- C64 H76 N12 -","4","1","","Kowalkowska, Anna; Jończyk, Andrzej; Maurin, Jan K.","Domino Reaction of Pyrrolidinium Ylides: Michael Addition/[1,2]-Stevens Rearrangement.","The Journal of organic chemistry","2018","83","7","4105","4110","10.1021/acs.joc.7b03278","","x-ray","1.54184","CuKα","","0.0483","0.0433","","","0.1249","0.1309","","","","","","1.063","","","","has coordinates","226953","2020-10-21","18:00:00",""
"4035506","7.8725","0.0002","10.546","0.0003","12.3593","0.0002","95.609","0.002","97.192","0.002","108.834","0.002","953.04","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(2-tert-butoxycarbonylethyl)-2-cyano-1-methyl-3-phenylpiperidine","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C40 H56 N4 O4 -","2","1","","Kowalkowska, Anna; Jończyk, Andrzej; Maurin, Jan K.","Domino Reaction of Pyrrolidinium Ylides: Michael Addition/[1,2]-Stevens Rearrangement.","The Journal of organic chemistry","2018","83","7","4105","4110","10.1021/acs.joc.7b03278","","x-ray","1.54184","CuKα","","0.0759","0.0713","","","0.2206","0.2277","","","","","","1.081","","","","has coordinates,has disorder","226954","2020-10-21","18:00:00",""
"4035507","6.2916","0.0007","11.2924","0.0017","29.789","0.006","90","","90","","90","","2116.4","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 O2 S -","- C25 H30 O2 S -","- C100 H120 O8 S4 -","4","1","","Berthonneau, Clément; Nun, Pierrick; Rivière, Matthieu; Pauvert, Mickael; Dénès, Fabrice; Lebreton, Jacques","Hemisynthesis of 2,3,4-<sup>13</sup>C3-1,4-Androstadien-3,17-dione: A Key Precursor for the Synthesis of <sup>13</sup>C3-Androstanes and <sup>13</sup>C3-Estranes.","The Journal of organic chemistry","2018","83","7","3727","3737","10.1021/acs.joc.7b03216","","x-ray","0.71069","MoKα","","0.1118","0.0531","","","0.054","0.0576","","","","1.42","1.42","1.21","","","","has coordinates","226955","2020-10-21","18:00:00",""
"4035508","15.832","0.004","17.439","0.005","19.676","0.006","90","","90","","90","","5432","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C256 H208 N48 O16 -","16","2","","Barak, Dinesh S.; Dighe, Shashikant U.; Avasthi, Ilesha; Batra, Sanjay","Iodine-Catalyzed Diazenylation with Arylhydrazine Hydrochlorides in Air.","The Journal of organic chemistry","2018","83","7","3537","3546","10.1021/acs.joc.7b03149","","","0.71073","MoKα","","0.0509","0.041","","","0.103","0.1096","","","","","","1.023","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035509","9.713","0.0002","25.253","0.0006","9.834","0.0003","90","","104.922","0.0009","90","","2330.76","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 N4 O2 S -","- C21 H34 N4 O2 S -","- C84 H136 N16 O8 S4 -","4","1","","Sakaine, Guna; Smits, Gints","Modified Julia-Kocienski Reagents for a Stereoselective Introduction of Trisubstituted Double Bonds: A Formal Total Synthesis of Limazepine E and Barmumycin.","The Journal of organic chemistry","2018","83","9","5323","5330","10.1021/acs.joc.8b00643","","","0.71073","MoKα","","0.1345","0.0732","","","0.1712","0.2033","","","","","","1.002","","","","has coordinates","226957","2020-10-21","18:00:00",""
"4035510","8.5915","0.0002","7.48777","0.00015","12.7605","0.0004","90","","108.58","0.003","90","","778.11","0.04","100","0.3","100","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Arachchige, Pandula T Kirinde; Lee, Hanbin; Yi, Chae S.","Synthesis of Symmetric and Unsymmetric Secondary Amines from the Ligand-Promoted Ruthenium-Catalyzed Deaminative Coupling Reaction of Primary Amines.","The Journal of organic chemistry","2018","83","9","4932","4947","10.1021/acs.joc.8b00649","","x-ray","1.54184","CuKα","","0.0321","0.0294","","","0.0711","0.0732","","","","","","1.064","","","","has coordinates","226958","2020-10-21","18:00:00",""
"4035511","7.2837","0.0003","8.587","0.0003","24.8197","0.0009","90","","90.172","0.001","90","","1552.34","0.1","102","2","102","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ANB","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Baumann, Andreas N.; Schüppel, Franziska; Eisold, Michael; Kreppel, Andrea; de Vivie-Riedle, Regina; Didier, Dorian","Oxidative Ring Contraction of Cyclobutenes: General Approach to Cyclopropylketones including Mechanistic Insights.","The Journal of organic chemistry","2018","83","9","4905","4921","10.1021/acs.joc.8b00297","","","0.71073","MoKα","","0.0464","0.0389","","","0.0957","0.1012","","","","","","1.055","","","","has coordinates","226959","2020-10-21","18:00:00",""
"4035512","7.3288","0.0004","16.8413","0.0008","8.2232","0.0005","90","","101.669","0.002","90","","993.98","0.09","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ANB-461","","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Baumann, Andreas N.; Schüppel, Franziska; Eisold, Michael; Kreppel, Andrea; de Vivie-Riedle, Regina; Didier, Dorian","Oxidative Ring Contraction of Cyclobutenes: General Approach to Cyclopropylketones including Mechanistic Insights.","The Journal of organic chemistry","2018","83","9","4905","4921","10.1021/acs.joc.8b00297","","","0.71073","MoKα","","0.0418","0.0363","","","0.0886","0.092","","","","","","1.082","","","","has coordinates","226960","2020-10-21","18:00:00",""
"4035513","8.3683","0.0005","16.217","0.001","15.0187","0.001","90","","101.183","0.003","90","","1999.5","0.2","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Xu, Meng-Meng; Wang, Hai-Qing; Mao, Yu-Jia; Mei, Guang-Jian; Wang, Shu-Liang; Shi, Feng","Cooperative Catalysis-Enabled Asymmetric α-Arylation of Aldehydes Using 2-Indolylmethanols as Arylation Reagents.","The Journal of organic chemistry","2018","83","9","5027","5034","10.1021/acs.joc.8b00228","","","1.54178","CuKα","","0.0945","0.0724","","","0.1878","0.2158","","","","","","1.017","","","","has coordinates","226961","2020-10-21","18:00:00",""
"4035514","13.2178","0.0005","12.0114","0.0005","14.7654","0.0006","90","","107.36","0.001","90","","2237.44","0.16","96","2","96","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 B F2 N2 Se2 -","- C26 H21 B F2 N2 Se2 -","- C104 H84 B4 F8 N8 Se8 -","4","1","","Taguchi, Daisuke; Nakamura, Takashi; Horiuchi, Hiroaki; Saikawa, Makoto; Nabeshima, Tatsuya","Synthesis and Unique Optical Properties of Selenophenyl BODIPYs and Their Linear Oligomers.","The Journal of organic chemistry","2018","83","9","5331","5337","10.1021/acs.joc.8b00782","","","0.71073","MoKα","","0.0515","0.0398","","","0.1361","0.1492","","","","","","1.206","","","","has coordinates,has disorder","226962","2020-10-21","18:00:00",""
"4035515","10.53852","0.00015","11.82433","0.00016","14.4092","0.0002","90","","90","","90","","1795.54","0.04","291","2","291.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Weng, Yunxiang; Kuai, Changsheng; Lv, Weiwei; Cheng, Guolin","Synthesis of 2-Aminopyridines via a Base-Promoted Cascade Reaction of N-Propargylic β-Enaminones with Formamides.","The Journal of organic chemistry","2018","83","9","5002","5008","10.1021/acs.joc.8b00128","","","1.54184","CuKα","","0.0351","0.0331","","","0.0841","0.0857","","","","","","1.071","","","","has coordinates","226963","2020-10-21","18:00:00",""
"4035516","6.9058","0.0007","18.5704","0.0012","31.694","0.004","90","","90","","90","","4064.5","0.7","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3R)-3-(4-Chlorophenyl)-5-oxo-2-phenyl-3,5-dihydro-2H-cyclopenta[a]naphthalene-1-carbaldehyde","","- C26 H17 Cl O2 -","- C26 H17 Cl O2 -","- C208 H136 Cl8 O16 -","8","2","","Skrzyńska, Anna; Romaniszyn, Marta; Pomikło, Dominika; Albrecht, Łukasz","The Application of 2-Benzyl-1,4-naphthoquinones as Pronucleophiles in Aminocatalytic Synthesis of Tricyclic Derivatives.","The Journal of organic chemistry","2018","83","9","5019","5026","10.1021/acs.joc.8b00170","","x-ray","1.54184","CuKα","","0.1321","0.0639","","","0.1344","0.1682","","","","","","0.983","","","","has coordinates,has disorder","226964","2020-10-21","18:00:00",""
"4035517","7.9924","0.0004","10.8848","0.0005","12.0467","0.0005","90","","90","","90","","1048.01","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6S,9aS)-6-Hydroxymethyl-8-methyl-1,2,3,6,9,9a-hexahydroquinolizin-4(4H)-one","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","1","","Alujas-Burgos, Sílvia; Oliveras-González, Cristina; Álvarez-Larena, Ángel; Bayón, Pau; Figueredo, Marta","Iterative Synthetic Strategy for Azaphenalene Alkaloids. Total Synthesis of (-)-9a epi-Hippocasine.","The Journal of organic chemistry","2018","83","9","5052","5057","10.1021/acs.joc.8b00390","","","0.71073","MoKα","","0.0398","0.0388","","","0.1013","0.1024","","","","","","1.064","","","","has coordinates","226965","2020-10-21","18:00:00",""
"4035518","4.459","0.0017","17.667","0.007","24.108","0.009","90","","93.963","0.006","90","","1894.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F2 N3 O4 -","- C21 H17 F2 N3 O4 -","- C84 H68 F8 N12 O16 -","4","1","","Zhang, Cong-Hai; Huang, Rong; Hu, Xing-Mei; Lin, Jun; Yan, Sheng-Jiao","Three-Component Site-Selective Synthesis of Highly Substituted 5 H-Chromeno-[4,3- b]pyridines.","The Journal of organic chemistry","2018","83","9","4981","4989","10.1021/acs.joc.8b00099","","","0.71073","MoKα","","0.1506","0.0534","","","0.1088","0.1499","","","","","","0.935","","","","has coordinates","226966","2020-10-21","18:00:00",""
"4035519","9.1723","0.0007","9.2651","0.0007","13.5282","0.001","90","","90.6996","0.0009","90","","1149.57","0.15","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0388","0.036","","","0.0942","0.097","","","","","","1.033","","","","has coordinates","226967","2020-10-21","18:00:00",""
"4035520","14.2891","0.0018","18.831","0.002","7.4133","0.001","90","","98.248","0.002","90","","1974.1","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N4 O2 -","- C25 H20 N4 O2 -","- C100 H80 N16 O8 -","4","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0604","0.0457","","","0.0687","0.0708","","","","","","1.724","","","","has coordinates,has disorder","226968","2020-10-21","18:00:00",""
"4035521","12.3518","0.0005","10.0455","0.0004","13.0967","0.0005","90","","115.559","0.0004","90","","1466.01","0.1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Br N4 O -","- C16 H11 Br N4 O -","- C64 H44 Br4 N16 O4 -","4","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0205","0.019","","","0.0475","0.0481","","","","","","1.002","","","","has coordinates","226969","2020-10-21","18:00:00",""
"4035522","8.4077","0.0005","16.3992","0.0009","12.0895","0.0006","90","","108.711","0.0006","90","","1578.79","0.15","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 N5 O3 -","- C17 H13 N5 O3 -","- C68 H52 N20 O12 -","4","2","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0328","0.0315","","","0.0752","0.0761","","","","","","1.006","","","","has coordinates","226970","2020-10-21","18:00:00",""
"4035523","7.1531","0.0005","9.1337","0.0006","11.3187","0.0008","70.2601","0.0007","80.8817","0.0008","87.0438","0.0008","687.25","0.08","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C32 H24 N8 -","2","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0456","0.04","","","0.1075","0.1127","","","","","","1.045","","","","has coordinates","226971","2020-10-21","18:00:00",""
"4035524","37.707","0.004","6.6383","0.0007","24.854","0.003","90","","90","","90","","6221.2","1.2","103","2","103","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 N4 -","- C19 H20 N4 -","- C304 H320 N64 -","16","4","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0767","0.0536","","","0.1186","0.1315","","","","","","1.023","","","","has coordinates","226972","2020-10-21","18:00:00",""
"4035525","10.7535","0.0005","6.972","0.0003","12.657","0.0006","90","","110.71","0.002","90","","887.62","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1R,2S,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)-N-methoxy-N-methylacetamide","","- C18 H33 N O3 -","- C18 H33 N O3 -","- C36 H66 N2 O6 -","2","1","","Novaes, Luiz F. T.; Gonçalves, Kaliandra de Almeida; Trivella, Daniela B. B.; Pastre, Julio C.","Formal Total Synthesis of Actinoranone: Synthesis Approaches and Cytotoxic Studies.","The Journal of organic chemistry","2018","83","9","5160","5176","10.1021/acs.joc.8b00514","","","1.54184","CuKα","","0.0349","0.0341","","","0.1014","0.1034","","","","","","0.9079","","","","has coordinates","226973","2020-10-21","18:00:00",""
"4035526","23.4985","0.0005","7.79477","0.00015","16.7618","0.0003","90","","123.364","0.009","90","","2564.2","0.3","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N O4 S -","- C13 H11 N O4 S -","- C104 H88 N8 O32 S8 -","8","1","","Higashimae, Shinya; Kurata, Daichi; Kawaguchi, Shin-Ichi; Kodama, Shintaro; Sonoda, Motohiro; Nomoto, Akihiro; Ogawa, Akiya","Palladium-Catalyzed Cyanothiolation of Internal Alkynes Using Organic Disulfides and tert-Butyl Isocyanide.","The Journal of organic chemistry","2018","83","9","5267","5273","10.1021/acs.joc.8b00052","","","0.71075","MoKα","","0.0377","0.0341","","","0.0871","0.0891","","","","","","1.074","","","","has coordinates","226974","2020-10-21","18:00:00",""
"4035527","8.07707","0.00017","15.3472","0.0003","13.2213","0.0003","90","","93.8705","0.0007","90","","1635.18","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N S -","- C21 H15 N S -","- C84 H60 N4 S4 -","4","1","","Higashimae, Shinya; Kurata, Daichi; Kawaguchi, Shin-Ichi; Kodama, Shintaro; Sonoda, Motohiro; Nomoto, Akihiro; Ogawa, Akiya","Palladium-Catalyzed Cyanothiolation of Internal Alkynes Using Organic Disulfides and tert-Butyl Isocyanide.","The Journal of organic chemistry","2018","83","9","5267","5273","10.1021/acs.joc.8b00052","","","0.71075","MoKα","","0.0331","0.0314","","","0.082","0.0833","","","","","","1.073","","","","has coordinates","226975","2020-10-21","18:00:00",""
"4035528","11.3662","0.0004","12.1409","0.0003","12.5714","0.0004","90","","113.555","0.004","90","","1590.25","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Feng, Tian; Tian, Miaomiao; Zhang, Xinying; Fan, Xuesen","Tunable Synthesis of Functionalized Cyclohexa-1,3-dienes and 2-Aminobenzophenones/Benzoate from the Cascade Reactions of Allenic Ketones/Allenoate with Amines and Enones.","The Journal of organic chemistry","2018","83","9","5313","5322","10.1021/acs.joc.8b00473","","x-ray","1.54184","CuKα","","0.0525","0.0498","","","0.1329","0.1361","","","","","","1.039","","","","has coordinates","226976","2020-10-21","18:00:00",""
"4035529","14.4278","0.0006","8.5062","0.0004","15.9293","0.0007","90","","95.522","0.001","90","","1945.86","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Cui, Zhihao; Du, Da-Ming","FeCl<sub>2</sub>-Catalyzed Decarboxylative Radical Alkylation/Cyclization of Cinnamamides: Access to Dihydroquinolinone and Pyrrolo[1,2- a]indole Analogues.","The Journal of organic chemistry","2018","83","9","5149","5159","10.1021/acs.joc.8b00511","","","0.71073","MoKα","","0.0501","0.0428","","","0.1187","0.1241","","","","","","1.052","","","","has coordinates","226977","2020-10-21","18:00:00",""
"4035530","6.4707","0.0015","8.0625","0.0018","20.651","0.005","94.171","0.007","97.073","0.007","98.941","0.007","1051.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C54 H40 N4 O6 -","2","1","","Cui, Zhihao; Du, Da-Ming","FeCl<sub>2</sub>-Catalyzed Decarboxylative Radical Alkylation/Cyclization of Cinnamamides: Access to Dihydroquinolinone and Pyrrolo[1,2- a]indole Analogues.","The Journal of organic chemistry","2018","83","9","5149","5159","10.1021/acs.joc.8b00511","","","0.71073","MoKα","","0.0519","0.0385","","","0.1001","0.107","","","","","","1.034","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035531","5.66017","0.00017","14.8733","0.0005","15.3378","0.0005","90","","90","","90","","1291.22","0.07","135","","135","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Jia, Lei; Tang, Qiang; Luo, Meiming; Zeng, Xiaoming","Direct ortho-Selective Amination of 2-Naphthol and Its Analogues with Hydrazines.","The Journal of organic chemistry","2018","83","9","5082","5091","10.1021/acs.joc.8b00421","","","0.7107","MoKα","","0.0449","0.0369","","","0.0804","0.0857","","","","","","1.035","","","","has coordinates","226979","2020-10-21","18:00:00",""
"4035532","10.854","0.0005","5.5969","0.0003","15.0011","0.0009","90","","107.715","0.006","90","","868.09","0.09","293","2","293","2","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","Unknown","","- C18 H16 Br N O5 -","- C18 H16 Br N O5 -","- C36 H32 Br2 N2 O10 -","2","1","","Mondal, Keshab; Pan, Subhas Chandra","Organocatalytic Asymmetric Domino Michael/Acyl Transfer Reaction between γ/δ-Hydroxyenones and α-Nitroketones.","The Journal of organic chemistry","2018","83","9","5301","5312","10.1021/acs.joc.8b00436","","x-ray","0.71073","MoKα","","0.0592","0.0411","","","0.0834","0.0946","","","","","","1.034","","","","has coordinates","226980","2020-10-21","18:00:00",""
"4035533","13.0387","0.001","11.8758","0.0008","21.3053","0.0016","90","","93.76","0.006","90","","3291.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 N2 -","- C42 H38 N2 -","- C168 H152 N8 -","4","1","","Cui, Longchen; Zhu, Guodong; Liu, Siyuan; Zhao, Xiangyu; Qu, Jingping; Wang, Baomin","Stereoselective Sequential [4+2]/[2+2] Cycloadditions Involving 2-Alkenylindolenines: An Approach to Densely Functionalized Benzo[ b]indolizidines.","The Journal of organic chemistry","2018","83","9","5044","5051","10.1021/acs.joc.8b00346","","","0.71073","MoKα","","0.1495","0.0583","","","0.1337","0.1676","","","","","","0.892","","","","has coordinates","226981","2020-10-21","18:00:00",""
"4035534","21.3199","0.001","17.6128","0.0008","17.2985","0.0008","90","","95.5","0.003","90","","6465.7","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N2 -","- C42 H38 N2 -","- C336 H304 N16 -","8","2","","Cui, Longchen; Zhu, Guodong; Liu, Siyuan; Zhao, Xiangyu; Qu, Jingping; Wang, Baomin","Stereoselective Sequential [4+2]/[2+2] Cycloadditions Involving 2-Alkenylindolenines: An Approach to Densely Functionalized Benzo[ b]indolizidines.","The Journal of organic chemistry","2018","83","9","5044","5051","10.1021/acs.joc.8b00346","","","0.71073","MoKα","","0.1414","0.0666","","","0.156","0.1857","","","","","","0.971","","","","has coordinates","226982","2020-10-21","18:00:00",""
"4035535","10.5709","0.0005","12.2106","0.0006","13.44","0.0006","107.16","0.002","103.112","0.002","90.668","0.003","1608.59","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H40 N2 -","- C42 H40 N2 -","- C84 H80 N4 -","2","1","","Cui, Longchen; Zhu, Guodong; Liu, Siyuan; Zhao, Xiangyu; Qu, Jingping; Wang, Baomin","Stereoselective Sequential [4+2]/[2+2] Cycloadditions Involving 2-Alkenylindolenines: An Approach to Densely Functionalized Benzo[ b]indolizidines.","The Journal of organic chemistry","2018","83","9","5044","5051","10.1021/acs.joc.8b00346","","","0.71073","MoKα","","0.0658","0.0458","","","0.1225","0.1336","","","","","","1.102","","","","has coordinates","226983","2020-10-21","18:00:00",""
"4035536","15.0047","0.0002","12.1799","0.0002","21.4763","0.0003","90","","95.513","0.001","90","","3906.76","0.1","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","ON-892a","","- C30 H19 N -","- C30 H19 N -","- C240 H152 N8 -","8","1","","Ogawa, Naoki; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei","Synthesis and Properties of Tribenzocarbazoles via an Acid-Promoted Retro (2+2)-Cycloaddition of Azapropellanes.","The Journal of organic chemistry","2018","83","15","7994","8002","10.1021/acs.joc.8b00870","","x-ray","1.54184","CuKα","","0.0497","0.048","","","0.1358","0.1389","","","","","","1.043","","","","has coordinates","226984","2020-10-21","18:00:00",""
"4035537","25.919","0.001","5.9148","0.0002","26.2477","0.0009","90","","107.283","0.004","90","","3842.2","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N -","- C30 H19 N -","- C240 H152 N8 -","8","1","","Ogawa, Naoki; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei","Synthesis and Properties of Tribenzocarbazoles via an Acid-Promoted Retro (2+2)-Cycloaddition of Azapropellanes.","The Journal of organic chemistry","2018","83","15","7994","8002","10.1021/acs.joc.8b00870","","x-ray","1.54184","CuKα","","0.0542","0.051","","","0.1475","0.1507","","","","","","1.102","","","","has coordinates","226985","2020-10-21","18:00:00",""
"4035538","11.9891","0.0002","18.6415","0.0003","8.07137","0.00018","90","","100.274","0.002","90","","1774.99","0.06","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Wang, Lun; Liu, Lingyan; Chang, Weixing; Li, Jing","The Divergent Cascade Reactions of Arylalkynols with Homopropargylic Amines or Electron-Deficient Olefins: Access to the Spiro-Isobenzofuran- b-pyrroloquinolines or Bridged-Isobenzofuran Polycycles.","The Journal of organic chemistry","2018","83","15","7799","7813","10.1021/acs.joc.8b00691","","x-ray","0.71073","MoKα","","0.042","0.0377","","","0.1017","0.1049","","","","","","1.037","","","","has coordinates","226986","2020-10-21","18:00:00",""
"4035539","12.8526","0.0007","8.4407","0.0005","15.2915","0.0009","90","","114.037","0.003","90","","1515.04","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","1","","Manna, Manash Kumar; Bairy, Gurupada; Jana, Ranjan","Sterically Controlled Ru(II)-Catalyzed Divergent Synthesis of 2-Methylindoles and Indolines through a C-H Allylation/Cyclization Cascade.","The Journal of organic chemistry","2018","83","15","8390","8400","10.1021/acs.joc.8b01034","","","0.71073","MoKα","","0.0496","0.0369","","","0.0968","0.1106","","","","","","1.027","","","","has coordinates","226987","2020-10-21","18:00:00",""
"4035540","8.5108","0.0008","10.6364","0.001","15.0701","0.0014","72.087","0.003","79.361","0.003","70.237","0.003","1216.7","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","2","","Manna, Manash Kumar; Bairy, Gurupada; Jana, Ranjan","Sterically Controlled Ru(II)-Catalyzed Divergent Synthesis of 2-Methylindoles and Indolines through a C-H Allylation/Cyclization Cascade.","The Journal of organic chemistry","2018","83","15","8390","8400","10.1021/acs.joc.8b01034","","","0.71073","MoKα","","0.0441","0.0372","","","0.0925","0.0993","","","","","","1.033","","","","has coordinates","226988","2020-10-21","18:00:00",""
"4035541","9.299","0.003","26.511","0.008","17.725","0.005","90","","96.699","0.004","90","","4340","2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H66 B2 O2 -","- C47 H66 B2 O2 -","- C188 H264 B8 O8 -","4","1","","Ito, Masato; Ito, Emi; Hirai, Masato; Yamaguchi, Shigehiro","Donor-π-Acceptor Type Unsymmetrical Triarylborane-Based Fluorophores: Synthesis, Fluorescence Properties, and Photostability.","The Journal of organic chemistry","2018","83","15","8449","8456","10.1021/acs.joc.8b01015","","","0.71075","MoKα","","0.1332","0.0709","","","0.1271","0.1573","","","","","","1.062","","","","has coordinates,has disorder","226989","2020-10-21","18:00:00",""
"4035542","21.9246","0.0007","15.7608","0.0005","6.6049","0.0002","90","","90","","90","","2282.32","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0556","0.053","","","0.1627","0.1646","","","","","","1.033","","","","has coordinates","226990","2020-10-21","18:00:00",""
"4035543","7.01728","0.00018","8.2752","0.0002","10.7566","0.0003","93.959","0.002","106.285","0.002","95.686","0.002","593.54","0.03","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","1","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.071","0.0711","","","","","","1.038","","","","has coordinates","226991","2020-10-21","18:00:00",""
"4035544","11.0275","0.0001","11.0275","0.0001","38.1512","0.0005","90","","90","","90","","4639.41","0.09","100","0.1","100","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C208 H232 N24 O24 -","8","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0435","0.042","","","0.1071","0.1083","","","","","","1.054","","","","has coordinates","226992","2020-10-21","18:00:00",""
"4035545","8.149","0.0001","9.8593","0.0001","28.656","0.0002","90","","90","","90","","2302.32","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O4 -","- C26 H28 N3 O4 -","- C104 H112 N12 O16 -","4","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0756","0.0738","","","0.1731","0.1749","","","","","","1.034","","","","has coordinates,has disorder","226993","2020-10-21","18:00:00",""
"4035546","13.163","0.005","10.966","0.004","11.325","0.004","90","","94.79","0.008","90","","1629","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","1","","Fang, Kun; Li, Guijie; She, Yuanbin","Metal-Free Aerobic Oxidation of Nitro-Substituted Alkylarenes to Carboxylic Acids or Benzyl Alcohols Promoted by NaOH.","The Journal of organic chemistry","2018","83","15","8092","8103","10.1021/acs.joc.8b00903","","","0.71073","MoKα","","0.0594","0.05","","","0.131","0.1372","","","","","","1.056","","","","has coordinates","226994","2020-10-21","18:00:00",""
"4035547","17.9614","0.001","8.0269","0.0005","19.3808","0.001","90","","90","","90","","2794.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F3 O2 -","- C17 H11 F3 O2 -","- C136 H88 F24 O16 -","8","1","","Chen, Long; Wu, Lianlian; Duan, Weijie; Wang, Tao; Li, Letian; Zhang, Keke; Zhu, Jingmei; Peng, Zhi; Xiong, Fei","Photoredox-Catalyzed Cascade Radical Cyclization of Ester Arylpropiolates with CF<sub>3</sub>SO<sub>2</sub>Cl To Construct 3-Trifluoromethyl Coumarin Derivatives.","The Journal of organic chemistry","2018","83","15","8607","8614","10.1021/acs.joc.8b00581","","x-ray","0.71073","MoKα","","0.0891","0.0637","","","0.1626","0.1783","","","","","","1.038","","","","has coordinates","226995","2020-10-21","18:00:00",""
"4035548","7.2348","0.0003","35.4035","0.0014","12.1571","0.0005","90","","90.375","0.004","90","","3113.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H8 F6 O2 -","- C17 H8 F6 O2 -","- C136 H64 F48 O16 -","8","2","","Chen, Long; Wu, Lianlian; Duan, Weijie; Wang, Tao; Li, Letian; Zhang, Keke; Zhu, Jingmei; Peng, Zhi; Xiong, Fei","Photoredox-Catalyzed Cascade Radical Cyclization of Ester Arylpropiolates with CF<sub>3</sub>SO<sub>2</sub>Cl To Construct 3-Trifluoromethyl Coumarin Derivatives.","The Journal of organic chemistry","2018","83","15","8607","8614","10.1021/acs.joc.8b00581","","","0.71073","MoKα","","0.1002","0.0834","","","0.2579","0.2725","","","","","","1.021","","","","has coordinates","226996","2020-10-21","18:00:00",""
"4035549","12.4148","0.0005","7.9614","0.0004","14.3307","0.0006","90","","93.308","0.004","90","","1414.07","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F3 O2 -","- C17 H11 F3 O2 -","- C68 H44 F12 O8 -","4","1","","Chen, Long; Wu, Lianlian; Duan, Weijie; Wang, Tao; Li, Letian; Zhang, Keke; Zhu, Jingmei; Peng, Zhi; Xiong, Fei","Photoredox-Catalyzed Cascade Radical Cyclization of Ester Arylpropiolates with CF<sub>3</sub>SO<sub>2</sub>Cl To Construct 3-Trifluoromethyl Coumarin Derivatives.","The Journal of organic chemistry","2018","83","15","8607","8614","10.1021/acs.joc.8b00581","","x-ray","0.71073","MoKα","","0.0736","0.0522","","","0.1237","0.1353","","","","","","1.053","","","","has coordinates","226997","2020-10-21","18:00:00",""
"4035550","9.9037","0.0002","10.3559","0.0002","12.202","0.0003","76.739","0.001","74.565","0.001","70.695","0.001","1124.66","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Fe N2 O2 Te -","- C27 H22 Fe N2 O2 Te -","- C54 H44 Fe2 N4 O4 Te2 -","2","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.0774","0.0528","","","0.1052","0.1193","","","","","","1.062","","","","has coordinates","226998","2020-10-21","18:00:00",""
"4035551","10.2491","0.0006","10.4201","0.0006","14.1625","0.0008","98.177","0.003","105.196","0.003","102.11","0.003","1395.62","0.14","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 Fe N2 O S2 -","- C34 H27 Fe N2 O S2 -","- C68 H54 Fe2 N4 O2 S4 -","2","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.0692","0.043","","","0.0878","0.097","","","","","","1.034","","","","has coordinates","226999","2020-10-21","18:00:00",""
"4035552","12.5422","0.0015","9.6419","0.0012","19.812","0.002","90","","97.568","0.004","90","","2375","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Fe N2 O3 Se -","- C28 H24 Fe N2 O3 Se -","- C112 H96 Fe4 N8 O12 Se4 -","4","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.1144","0.0671","","","0.1432","0.1662","","","","","","1.073","","","","has coordinates","227000","2020-10-21","18:00:00",""
"4035553","9.2482","0.0011","29.535","0.004","9.8061","0.0011","90","","108.106","0.004","90","","2545.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Fe N2 O S2 Se2 -","- C28 H20 Fe N2 O S2 Se2 -","- C112 H80 Fe4 N8 O4 S8 Se8 -","4","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.1148","0.0585","","","0.1191","0.1505","","","","","","0.779","","","","has coordinates","227001","2020-10-21","18:00:00",""
"4035554","22.07","0.005","6.411","0.003","11.639","0.003","90","","113.74","0.02","90","","1507.5","0.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Pinto, Alexandre; Piccichè, Miriam; Griera, Rosa; Molins, Elies; Bosch, Joan; Amat, Mercedes","Studies on the Synthesis of Phlegmarine-Type Lycopodium Alkaloids: Enantioselective Synthesis of (-)-Cermizine B, (+)-Serratezomine E, and (+)-Luciduline.","The Journal of organic chemistry","2018","83","15","8364","8375","10.1021/acs.joc.8b00983","","x-ray","0.71073","MoKα","","0.0751","0.0445","","","0.1056","0.1175","","","","","","1.065","","","","has coordinates","227002","2020-10-21","18:00:00",""
"4035555","10.3724","0.0006","14.9192","0.0009","20.5335","0.0012","74.817","0.005","76.036","0.005","83.497","0.005","2971.7","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H37 N O -","- C37 H37 N O -","- C148 H148 N4 O4 -","4","2","","Jadhav, Abhijeet S.; Pankhade, Yogesh A.; Vijaya Anand, Ramasamy","Exploring Gold Catalysis in a 1,6-Conjugate Addition/Domino Electrophilic Cyclization Cascade: Synthesis of Cyclohepta[ b]indoles.","The Journal of organic chemistry","2018","83","15","8615","8626","10.1021/acs.joc.8b00607","","x-ray","0.71073","MoKα","","0.1905","0.0854","","","0.2055","0.292","","","","","","0.994","","","","has coordinates","227003","2020-10-21","18:00:00",""
"4035556","13.333","0.002","15.334","0.002","10.1707","0.0015","90","","105.845","0.004","90","","2000.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C100 H80 Br4 N4 O8 -","4","1","","Li, Jian; Bai, Shuhua; Li, Yang; Wang, Zhengbing; Huo, Xiaoyu; Liu, Li","Copper-Catalyzed Ring Expansion of Cyclopropyl Ketones/Formation of N-acyliminium/Hetero-[4 + 2]-Cycloaddition: A Route to Substituted Pentacyclic Isoindolin-1-one.","The Journal of organic chemistry","2018","83","15","8780","8785","10.1021/acs.joc.8b01120","","","0.71073","MoKα","","0.0846","0.0513","","","0.1503","0.1707","","","","","","1.076","","","","has coordinates","227004","2020-10-21","18:00:00",""
"4035557","13.498","0.002","15.224","0.002","10.0932","0.0015","90","","105.787","0.004","90","","1995.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br2 N O2 -","- C24 H17 Br2 N O2 -","- C96 H68 Br8 N4 O8 -","4","1","","Li, Jian; Bai, Shuhua; Li, Yang; Wang, Zhengbing; Huo, Xiaoyu; Liu, Li","Copper-Catalyzed Ring Expansion of Cyclopropyl Ketones/Formation of N-acyliminium/Hetero-[4 + 2]-Cycloaddition: A Route to Substituted Pentacyclic Isoindolin-1-one.","The Journal of organic chemistry","2018","83","15","8780","8785","10.1021/acs.joc.8b01120","","","0.71073","MoKα","","0.0888","0.0545","","","0.1502","0.1709","","","","","","1.025","","","","has coordinates","227005","2020-10-21","18:00:00",""
"4035558","31.317","0.011","6.319","0.002","19.015","0.006","90","","116.17","0.008","90","","3377.2","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Br Cl N O2 -","- C19 H15 Br Cl N O2 -","- C152 H120 Br8 Cl8 N8 O16 -","8","1","","Li, Jian; Bai, Shuhua; Li, Yang; Wang, Zhengbing; Huo, Xiaoyu; Liu, Li","Copper-Catalyzed Ring Expansion of Cyclopropyl Ketones/Formation of N-acyliminium/Hetero-[4 + 2]-Cycloaddition: A Route to Substituted Pentacyclic Isoindolin-1-one.","The Journal of organic chemistry","2018","83","15","8780","8785","10.1021/acs.joc.8b01120","","","0.71073","MoKα","","0.0824","0.0486","","","0.1341","0.1673","","","","","","1.014","","","","has coordinates","227006","2020-10-21","18:00:00",""
"4035559","8.5428","0.0004","17.2873","0.0009","18.2419","0.0008","90","","90","","90","","2694","0.2","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 O5 Si -","- C30 H30 O5 Si -","- C120 H120 O20 Si4 -","4","1","","Tanabe, Genzoh; Manse, Yoshiaki; Ogawa, Teppei; Sonoda, Naoki; Marumoto, Shinsuke; Ishikawa, Fumihiro; Ninomiya, Kiyofumi; Chaipech, Saowanee; Pongpiriyadacha, Yutana; Muraoka, Osamu; Morikawa, Toshio","Total Synthesis of γ-Alkylidenebutenolides, Potent Melanogenesis Inhibitors from Thai Medicinal Plant Melodorum fruticosum.","The Journal of organic chemistry","2018","83","15","8250","8264","10.1021/acs.joc.8b00986","","","0.71075","MoKα","","","0.0371","","","","0.0926","","","","","","0.763","","","","has coordinates","227007","2020-10-21","18:00:00",""
"4035560","5.4859","0.0002","7.6978","0.0002","16.1908","0.0005","78.393","0.002","80.255","0.002","87.923","0.002","660.08","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","DF2 - 17ALE001","","","- C13 H18 Cl N O4 -","- C13 H18 Cl N O4 -","- C26 H36 Cl2 N2 O8 -","2","2","","Rocha, Juliana F.; Freitas, David S.; Noro, Jennifer; Silva Teixeira, Carla S.; Sousa, Cristina E. A.; Alves, Maria J.; Cerqueira, Nuno M. F. S. A.","Total Stereoselective Michael Addition of N- and S- Nucleophiles to a d-Erythrosyl 1,5-Lactone Derivative. Experimental and Theoretical Studies Devoted to the Synthesis of 2,6-Dideoxy-4-functionalized-d- ribono-hexono-1,4-lactone.","The Journal of organic chemistry","2018","83","15","8011","8019","10.1021/acs.joc.8b00769","","","0.71073","MoKα","","0.0582","0.0434","","","0.0903","0.0969","","","","","","1.036","","","","has coordinates","227008","2020-10-21","18:00:00",""
"4035561","11.445","0.013","8.726","0.009","14.519","0.016","90","","102.75","0.05","90","","1414","3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 N O2 -","- C16 H11 Cl2 N O2 -","- C64 H44 Cl8 N4 O8 -","4","1","","Zhou, Rong; Zhang, Honghui; Liu, Jialin; Liu, Rongfang; Gao, Wen-Chao; Qiao, Yan; Li, Ruifeng","Chemoselective P(NMe<sub>2</sub>)<sub>3</sub>-Mediated Reductive Epoxidation between Two Different Carbonyl Electrophiles: Synthesis of Highly Functionalized Unsymmetrical Epoxides.","The Journal of organic chemistry","2018","83","15","8272","8280","10.1021/acs.joc.8b00995","","","0.71076","MoKα","","0.0389","0.032","","","0.0844","0.089","","","","","","1.048","","","","has coordinates","227009","2020-10-21","18:00:00",""
"4035562","8.7431","0.0003","10.3339","0.0003","26.7833","0.0009","90","","90","","90","","2419.88","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21.95 H33 F2.85 I0.05 O7 -","- C21.95 H33 F2.85 I0.05 O7 -","- C87.8 H132 F11.4 I0.2 O28 -","4","1","","Mestre, Jordi; Lishchynskyi, Anton; Castillón, Sergio; Boutureira, Omar","Trifluoromethylation of Electron-Rich Alkenyl Iodides with Fluoroform-Derived ""Ligandless"" CuCF<sub>3</sub>.","The Journal of organic chemistry","2018","83","15","8150","8160","10.1021/acs.joc.8b00927","","","0.71073","MoKα","","0.0375","0.0333","","","0.0867","0.0886","","","","","","1.053","","","","has coordinates,has disorder","227010","2020-10-21","18:00:00",""
"4035563","6.9858","0.0006","23.733","0.002","8.2231","0.0008","90","","90.395","0.003","90","","1363.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 F4 N O2 -","- C14 H13 F4 N O2 -","- C56 H52 F16 N4 O8 -","4","1","","Mestre, Jordi; Lishchynskyi, Anton; Castillón, Sergio; Boutureira, Omar","Trifluoromethylation of Electron-Rich Alkenyl Iodides with Fluoroform-Derived ""Ligandless"" CuCF<sub>3</sub>.","The Journal of organic chemistry","2018","83","15","8150","8160","10.1021/acs.joc.8b00927","","","0.71073","MoKα","","0.0634","0.0479","","","0.1123","0.1208","","","","","","1.04","","","","has coordinates,has disorder","227011","2020-10-21","18:00:00",""
"4035564","7.43","0.002","12.034","0.003","21.281","0.006","85.531","0.006","80.177","0.005","81.927","0.005","1853.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O4 S -","- C19 H18 N2 O4 S -","- C76 H72 N8 O16 S4 -","4","2","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","","0.71073","MoKα","","0.1538","0.0776","","","0.1323","0.1665","","","","","","1.022","","","","has coordinates","227012","2020-10-21","18:00:00",""
"4035565","10.668","0.0011","23.33","0.003","8.0236","0.0009","90","","99.37","0.01","90","","1970.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(3aS,7aS)-7a-tert-butyl-1-(methylsulfonyl)-3a,7a-dihydro-1H-indol-3-yl]","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","x-ray","1.54184","CuKα","","0.0815","0.0578","","","0.1234","0.1343","","","","","","1.042","","","","has coordinates","227013","2020-10-21","18:00:00",""
"4035566","13.97","0.002","32.97","0.005","7.0999","0.0011","90","","90","","90","","3270.1","0.8","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C144 H128 N16 O32 S8 -","8","1","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","","0.71073","MoKα","","0.0831","0.0652","","","0.1381","0.1468","","","","","","1.1","","","","has coordinates","227014","2020-10-21","18:00:00",""
"4035567","5.6732","0.0014","16.353","0.004","17.767","0.004","90","","90.125","0.004","90","","1648.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C72 H64 N8 O16 S4 -","4","1","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","","0.71073","MoKα","","0.0797","0.0635","","","0.1349","0.1443","","","","","","1.07","","","","has coordinates","227015","2020-10-21","18:00:00",""
"4035568","20.142","0.003","8.359","0.002","12.4889","0.0017","90","","91.811","0.014","90","","2101.7","0.7","180","0.1","180","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl F N O2 S -","- C22 H23 Cl F N O2 S -","- C88 H92 Cl4 F4 N4 O8 S4 -","4","1","","Xiang, Yu; Li, Zining; Wang, Lu-Ning; Yu, Zhi-Xiang","TfOH- and HBF<sub>4</sub>-Mediated Formal Cycloisomerizations and [4+3] Cycloadditions of Allene-alkynylbenzenes.","The Journal of organic chemistry","2018","83","15","7633","7647","10.1021/acs.joc.8b00393","","","0.71073","MoKα","","0.1448","0.0626","","","0.0905","0.1249","","","","","","1.02","","","","has coordinates","227016","2020-10-21","18:00:00",""
"4035569","6.2637","0.0009","11.6536","0.0011","13.7124","0.0015","72.602","0.009","87.821","0.01","87.697","0.01","954","0.2","180.01","0.1","180.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 F N O2 S -","- C22 H24 F N O2 S -","- C44 H48 F2 N2 O4 S2 -","2","1","","Xiang, Yu; Li, Zining; Wang, Lu-Ning; Yu, Zhi-Xiang","TfOH- and HBF<sub>4</sub>-Mediated Formal Cycloisomerizations and [4+3] Cycloadditions of Allene-alkynylbenzenes.","The Journal of organic chemistry","2018","83","15","7633","7647","10.1021/acs.joc.8b00393","","","0.71073","MoKα","","0.11","0.0727","","","0.1574","0.1979","","","","","","1.036","","","","has coordinates","227017","2020-10-21","18:00:00",""
"4035570","9.4719","0.0004","24.5538","0.001","9.7594","0.0005","90","","113.578","0.006","90","","2080.27","0.19","100","0.1","100","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C96 H112 N8 O12 -","4","1","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.0439","0.0389","","","0.0978","0.1041","","","","","","1.061","","","","has coordinates","227018","2020-10-21","18:00:00",""
"4035571","9.15169","0.00016","16.2452","0.0002","24.955","0.0003","90","","90","","90","","3710.09","0.09","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C168 H176 N16 O24 -","8","1","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.0449","0.04","","","0.1053","0.1111","","","","","","1.076","","","","has coordinates","227019","2020-10-21","18:00:00",""
"4035572","15.6066","0.0004","11.2438","0.0002","22.0936","0.0005","90","","94.685","0.002","90","","3863.98","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C176 H192 N16 O24 -","8","2","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.053","0.0432","","","0.1115","0.1217","","","","","","1.031","","","","has coordinates","227020","2020-10-21","18:00:00",""
"4035573","12.9746","0.0005","13.3439","0.0005","13.6301","0.0005","108.812","0.003","101.75","0.003","103.021","0.003","2076.35","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","2","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.0602","0.0443","","","0.1145","0.1267","","","","","","1.052","","","","has coordinates","227021","2020-10-21","18:00:00",""
"4035574","10.06464","0.00015","13.935","0.0003","16.1031","0.0003","65.187","0.002","85.6988","0.0015","89.9095","0.0015","2043.09","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C88 H96 N8 O12 -","4","2","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.044","0.0406","","","0.1041","0.1083","","","","","","1.052","","","","has coordinates","227022","2020-10-21","18:00:00",""
"4035575","7.7771","0.0003","21.9081","0.0004","7.8071","0.0002","90","","115.213","0.004","90","","1203.46","0.07","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl N2 O2 -","- C15 H9 Cl N2 O2 -","- C60 H36 Cl4 N8 O8 -","4","1","","Pandey, Khima; Rangan, Krishnan; Kumar, Anil","One-Pot Tandem Amidation, Knoevenagel Condensation, and Palladium-Catalyzed Wacker Type Oxidation/C-O Coupling: Synthesis of Chromeno-Annulated Imidazopyridines.","The Journal of organic chemistry","2018","83","15","8026","8035","10.1021/acs.joc.8b00884","","x-ray","1.54184","CuKα","","0.0385","0.0372","","","0.105","0.1062","","","","","","1.07","","","","has coordinates","227023","2020-10-21","18:00:00",""
"4035576","15.9281","0.0005","17.8665","0.0006","24.3461","0.0009","100.205","0.003","108.698","0.003","106.474","0.003","6013","0.4","290.89","0.1","290.89","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N O3 S -","- C29 H25 N O3 S -","- C290 H250 N10 O30 S10 -","10","5","","Bai, Li-Gang; Chen, Ming-Tao; Xiao, Dong-Rong; Zhao, Liu-Bin; Luo, Qun-Li","Access to Multisubstituted Furan-3-carbothioates via Cascade Annulation of α-Oxo Ketene Dithioacetals with Isoindoline-1,3-dione-Derived Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","7648","7658","10.1021/acs.joc.8b00401","","x-ray","1.54184","CuKα","","0.192","0.0728","","","0.2657","0.4348","","","","","","0.874","","","","has coordinates","227024","2020-10-21","18:00:00",""
"4035577","6.6234","0.0002","18.9368","0.0009","14.213","0.0006","90","","94.217","0.004","90","","1777.85","0.13","149.8","0.3","149.8","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methyl-1,3-diphenylcyclopropyl)(piperidin-1-yl)methanone","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","","Edwards, Andrew; Rubin, Michael","Directed Cu(I)-Catalyzed Carbomagnesiation of 1-Arylcycloprop-2-ene-1-carboxamides En Route to Densely Substituted Functionalized Cyclopropanes.","The Journal of organic chemistry","2018","83","15","8426","8448","10.1021/acs.joc.8b01063","","x-ray","1.54184","CuKα","","0.0667","0.0587","","","0.1394","0.1451","","","","","","1.142","","","","has coordinates,has disorder","227025","2020-10-21","18:00:00",""
"4035578","14.9999","0.0002","7.56312","0.00008","17.996","0.0003","90","","113.275","0.0018","90","","1875.43","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C88 H108 N4 O8 -","4","1","","Edwards, Andrew; Rubin, Michael","Directed Cu(I)-Catalyzed Carbomagnesiation of 1-Arylcycloprop-2-ene-1-carboxamides En Route to Densely Substituted Functionalized Cyclopropanes.","The Journal of organic chemistry","2018","83","15","8426","8448","10.1021/acs.joc.8b01063","","x-ray","1.54184","CuKα","","0.0399","0.0366","","","0.0902","0.0942","","","","","","1.021","","","","has coordinates,has disorder","227026","2020-10-21","18:00:00",""
"4035579","14.64104","0.00018","14.06208","0.00016","18.3005","0.0002","90","","105.445","0.0013","90","","3631.71","0.08","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 O5 -","- C43 H32 O5 -","- C172 H128 O20 -","4","1","","Hayashi, Tomoya; Ohishi, Yuki; Hee-Soo, So; Abe, Hajime; Matsumoto, Shinya; Inouye, Masahiko","Spontaneous Helix Formation of "" meta""-Ethynylphenol Oligomers by Sequential Intramolecular Hydrogen Bonding inside the Cavities.","The Journal of organic chemistry","2018","83","15","8724","8730","10.1021/acs.joc.8b00996","","","1.54184","CuKα","","0.0617","0.0536","","","0.164","0.1722","","","","","","1.058","","","","has coordinates","227027","2020-10-21","18:00:00",""
"4035580","10.2355","0.0003","10.7883","0.0004","11.3643","0.0004","108.083","0.002","97.024","0.002","107.009","0.002","1108.94","0.07","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 B N6 O8 -","- C17 H23 B N6 O8 -","- C34 H46 B2 N12 O16 -","2","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Reactions of N-Heterocyclic Carbene Boranes with 5-Diazo-2,2-dimethyl-1,3-dioxane-4,6-dione: Synthesis of Mono- and Bis-hydrazonyl NHC-Boranes.","The Journal of organic chemistry","2018","83","15","8775","8779","10.1021/acs.joc.8b01125","","","1.54178","CuKα","","0.1053","0.0532","","","0.124","0.1477","","","","","","1.023","","","","has coordinates","227028","2020-10-21","18:00:00",""
"4035581","16.2482","0.0003","8.3987","0.0002","25.8","0.0006","90","","90","","90","","3520.76","0.13","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N O2 S -","- C18 H20 Br N O2 S -","- C144 H160 Br8 N8 O16 S8 -","8","1","","Maiti, Saikat; Bose, Anima; Mal, Prasenjit","Oxidative N-Arylation for Carbazole Synthesis by C-C Bond Activation.","The Journal of organic chemistry","2018","83","15","8127","8138","10.1021/acs.joc.8b00921","","","0.71073","MoKα","","0.0665","0.0356","","","0.0826","0.0961","","","","","","1.011","","","","has coordinates","227029","2020-10-21","18:00:00",""
"4035582","12.693","0.005","17.549","0.007","10.385","0.004","90","","103.635","0.011","90","","2248.1","1.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N4 O4 -","- C27 H24 N4 O4 -","- C108 H96 N16 O16 -","4","1","","Jin, Qiaomei; Zhang, Jian; Jiang, Cuihua; Zhang, Dongjian; Gao, Meng; Hu, Shihe","Self [3 + 4] Cycloadditions of Isatin N, N'-Cyclic Azomethine Imine 1,3-Dipole with N-( o-Chloromethyl)aryl Amides.","The Journal of organic chemistry","2018","83","15","8410","8416","10.1021/acs.joc.8b01055","","","0.71073","MoKα","","0.1148","0.0565","","","0.1311","0.168","","","","","","0.97","","","","has coordinates","227030","2020-10-21","18:00:00",""
"4035583","8.4804","0.0007","12.5579","0.0011","18.2886","0.0017","90","","102.799","0.006","90","","1899.3","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C88 H64 N16 O12 -","4","1","","Thirupathi, Annaram; Janni, Manojkumar; Peruncheralathan, Saravanan","Copper Catalyzed Intramolecular N-Arylation of Ketene Aminals at Room Temperature: Synthesis of 2-Amino-3-cyanoindoles.","The Journal of organic chemistry","2018","83","15","8668","8678","10.1021/acs.joc.8b00816","","x-ray","0.71073","MoKα","","0.1367","0.0632","","","0.1402","0.184","","","","","","0.955","","","","has coordinates","227031","2020-10-21","18:00:00",""
"4035584","9.4287","0.0004","9.7444","0.0005","18.0606","0.0008","90","","103.808","0.002","90","","1611.4","0.13","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","","Thirupathi, Annaram; Janni, Manojkumar; Peruncheralathan, Saravanan","Copper Catalyzed Intramolecular N-Arylation of Ketene Aminals at Room Temperature: Synthesis of 2-Amino-3-cyanoindoles.","The Journal of organic chemistry","2018","83","15","8668","8678","10.1021/acs.joc.8b00816","","","0.71073","MoKα","","0.0762","0.0575","","","0.1957","0.2386","","","","","","0.937","","","","has coordinates","227032","2020-10-21","18:00:00",""
"4035585","31.1778","0.0017","9.74516","0.00016","17.5366","0.001","90","","136.127","0.01","90","","3692.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O2 S2 -","- C20 H18 N2 O2 S2 -","- C160 H144 N16 O16 S16 -","8","1","","Risso, Vesna; Farran, Daniel; Javierre, Guilhem; Naubron, Jean-Valère; Giorgi, Michel; Piras, Patrick; Jean, Marion; Vanthuyne, Nicolas; Fruttero, Roberta; Lorcy, Dominique; Roussel, Christian","Atropisomerism in a 10-Membered Ring with Multiple Chirality Axes: (3 Z,9 Z)-1,2,5,8-Dithiadiazecine-6,7(5 H,8 H)-dione Series.","The Journal of organic chemistry","2018","83","15","7566","7573","10.1021/acs.joc.8b01009","","x-ray","1.54184","CuKα","","0.0356","0.0321","","","0.1231","0.1288","","","","","","1.088","","","","has coordinates","227033","2020-10-21","18:00:00",""
"4035586","5.0522","0.0003","8.4389","0.0005","21.7226","0.0011","90","","90","","90","","926.14","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 N3 O -","- C10 H7 N3 O -","- C40 H28 N12 O4 -","4","1","","Sakharov, Pavel A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","2-Diazoacetyl-2 H-azirines: Source of a Variety of 2 H-Azirine Building Blocks with Orthogonal and Domino Reactivity.","The Journal of organic chemistry","2018","83","15","8304","8314","10.1021/acs.joc.8b01004","","x-ray","0.71073","MoKα","","0.0556","0.0508","","","0.1285","0.1315","","","","","","1.076","","","","has coordinates","227034","2020-10-21","18:00:00",""
"4035587","7.4368","0.0002","13.4944","0.0004","18.75","0.0006","90","","90","","90","","1881.66","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Hu, Xinyue; Zhou, Yuhang; Lu, Yan; Zou, Sijia; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Dioxopyrrolidines with Hetero-Substituted Alkenes.","The Journal of organic chemistry","2018","83","15","8679","8687","10.1021/acs.joc.8b00839","","x-ray","1.54184","CuKα","","0.061","0.055","","","0.1465","0.1548","","","","","","1.049","","","","has coordinates","227035","2020-10-21","18:00:00",""
"4035588","8.4687","0.0008","9.9801","0.0012","14.1033","0.0013","102.135","0.006","92.914","0.006","107.852","0.006","1100.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O3 S -","- C25 H24 N2 O3 S -","- C50 H48 N4 O6 S2 -","2","1","","Chen, Xiaofeng; Fan, Jinbao; Zeng, Guangyao; Ma, Jinjin; Wang, Chenxi; Wang, Yajing; Zhou, Yingjun; Deng, Xu","Access to 3a-Benzoylmethyl Pyrrolidino[2,3- b]indolines via Cu<sup>II</sup>-Catalyzed Radical Annulation/C3-Functionalization Sequence.","The Journal of organic chemistry","2018","83","15","8322","8330","10.1021/acs.joc.8b01017","","","0.71073","MoKα","","0.1278","0.1116","","","0.3471","0.3572","","","","","","1.025","","","","has coordinates","227036","2020-10-21","18:00:00",""
"4035589","16.052","0.005","9.318","0.005","22.822","0.005","90","0.005","90.493","0.005","90","0.005","3413","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 Br2 N3 Pd -","- C36 H39 Br2 N3 Pd -","- C144 H156 Br8 N12 Pd4 -","4","1","","Reddy Panyam, Pradeep Kumar; Ugale, Bharat; Gandhi, Thirumanavelan","Palladium(II)/N-Heterocyclic Carbene Catalyzed One-Pot Sequential α-Arylation/Alkylation: Access to 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2018","83","15","7622","7632","10.1021/acs.joc.8b00264","","","0.71073","MoKα","","0.054","0.0356","","","0.0716","0.0793","","","","","","1.055","","","","has coordinates","227037","2020-10-21","18:00:00",""
"4035590","16.9451","0.0012","31.169","0.002","9.0524","0.0006","90","","90","","90","","4781.1","0.6","273","2","273","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C41 H48 Br4 N6 Pd2 -","- C41 H48 Br4 N6 Pd2 -","- C164 H192 Br16 N24 Pd8 -","4","0.5","","Reddy Panyam, Pradeep Kumar; Ugale, Bharat; Gandhi, Thirumanavelan","Palladium(II)/N-Heterocyclic Carbene Catalyzed One-Pot Sequential α-Arylation/Alkylation: Access to 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2018","83","15","7622","7632","10.1021/acs.joc.8b00264","","","0.71073","MoKα","","0.0475","0.0436","","","0.1108","0.1131","","","","","","1.135","","","","has coordinates","227038","2020-10-21","18:00:00",""
"4035591","5.8738","0.0008","13.747","0.0018","20.081","0.003","90","","96.776","0.002","90","","1610.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-5'-(4-tolyl)-2'H-spiro[indole-3,3'-pyrrolidine]-2,2'(1H)-dione","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Zaytsev, Sergey V.; Ivanov, Konstantin L.; Skvortsov, Dmitry A.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Nucleophilic Ring Opening of Donor-Acceptor Cyclopropanes with the Cyanate Ion: Access to Spiro[pyrrolidone-3,3'-oxindoles].","The Journal of organic chemistry","2018","83","15","8695","8709","10.1021/acs.joc.8b00922","","","0.71073","MoKα","","0.0709","0.0522","","","0.1217","0.1325","","","","","","1.041","","","","has coordinates,has disorder","227039","2020-10-21","18:00:00",""
"4035592","30.9223","0.0003","30.9223","0.0003","8.3338","0.0001","90","","90","","120","","6901.08","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","R 3 :H","R 3","146","","cleistoperlone B","","- C109 H103 Cl3 O24 -","- C109 H103 Cl3 O24 -","- C327 H309 Cl9 O72 -","3","0.333333","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","x-ray","1.54184","CuKα","","0.0255","0.0255","","","0.0714","0.0714","","","","","","1.037","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4035593","24.7977","0.0003","13.2591","0.00016","18.0031","0.0002","90","","96.1889","0.0011","90","","5884.83","0.12","150","0.1","150","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","cleistoperlone A","","- C36 H34 O8 -","- C36 H34 O8 -","- C288 H272 O64 -","8","1","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","x-ray","1.54184","CuKα","","0.0371","0.0341","","","0.0918","0.0944","","","","","","1.033","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4035594","10.9193","0.0003","24.6258","0.0006","11.4467","0.0003","90","","99.262","0.002","90","","3037.85","0.14","293","2","293","2","","","","","","","Cleistocalyx operculatus","3","P 1 21/n 1","-P 2yn","14","2',4'-dihydroxy-3',5'-dimethyl-6'-methoxychalcone","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","2","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","","1.54184","CuKα","","0.0655","0.0601","","","0.1704","0.1749","","","","","","1.082","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035595","10.2778","0.0004","10.3228","0.0005","12.3658","0.0006","112.387","0.005","105.71","0.004","92.527","0.004","1151.68","0.11","100","0.6","100","0.6","","","","","","","Cleistocalyx operculatus","3","P 1","P 1","1","operculatol A","","","- C28 H32 O4 -","- C28 H32 O4 -","- C56 H64 O8 -","2","2","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","x-ray","1.54184","CuKα","","0.0815","0.0748","","","0.1996","0.2073","","","","","","1.071","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4035596","12.5508","0.0018","4.7813","0.0007","20.425","0.003","90","","103.082","0.004","90","","1193.9","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 F3 N O2 S -","- C12 H10 F3 N O2 S -","- C48 H40 F12 N4 O8 S4 -","4","1","","Wang, Rongkang; Jiang, Lvqi; Yi, Wenbin","Metal-Free Electrophilic Trifluoroethylthiolation with NaSO<sub>2</sub>CH<sub>2</sub>CF<sub>3</sub>.","The Journal of organic chemistry","2018","83","15","7789","7798","10.1021/acs.joc.8b00676","","","0.71073","MoKα","","0.0462","0.0346","","","0.0824","0.0879","","","","","","1.007","","","","has coordinates","227044","2020-10-21","18:00:00",""
"4035597","28.39","0.02","8.148","0.007","20.029","0.016","90","","100.78","0.03","90","","4551","6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl2 N5 Ni O2.5 -","- C18 H17 Cl2 N5 Ni O2.5 -","- C144 H136 Cl16 N40 Ni8 O20 -","8","1","","Chakraborty, Mou; Sengupta, Debabrata; Saha, Tanushri; Goswami, Sreebrata","Ligand Redox-Controlled Tandem Synthesis of Azines from Aromatic Alcohols and Hydrazine in Air: One-Pot Synthesis of Phthalazine.","The Journal of organic chemistry","2018","83","15","7771","7778","10.1021/acs.joc.8b00661","","","0.71073","MoKα","","0.266","0.0857","","","0.1747","0.2587","","","","","","0.996","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4035598","7.7451","0.0002","14.5492","0.0005","15.9101","0.0005","90","","90","","90","","1792.83","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br I O S -","- C19 H14 Br I O S -","- C76 H56 Br4 I4 O4 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.029","0.0229","","","0.0445","0.0459","","","","","","0.939","","","","has coordinates","227046","2020-10-21","18:00:00",""
"4035599","7.6988","0.0002","14.3742","0.0005","15.9878","0.0006","90","","90","","90","","1769.28","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Cl I O S -","- C19 H14 Cl I O S -","- C76 H56 Cl4 I4 O4 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.0478","0.0342","","","0.0768","0.096","","","","","","1.12","","","","has coordinates","227047","2020-10-21","18:00:00",""
"4035600","7.8851","0.0003","13.9461","0.0004","16.1582","0.0007","90","","90","","90","","1776.86","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl O2 S -","- C20 H17 Cl O2 S -","- C80 H68 Cl4 O8 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.0664","0.0427","","","0.0906","0.1045","","","","","","1.07","","","","has coordinates","227049","2020-10-21","18:00:00",""
"4035601","10.6727","0.0002","12.2092","0.0002","15.0377","0.0002","90","","101.465","0.001","90","","1920.39","0.05","122.99","0.1","122.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Simeth, Nadja A.; Altmann, Lisa-Marie; Wössner, Nathalie; Bauer, Elisabeth; Jung, Manfred; König, Burkhard","Photochromic Indolyl Fulgimides as Chromo-pharmacophores Targeting Sirtuins.","The Journal of organic chemistry","2018","83","15","7919","7927","10.1021/acs.joc.8b00795","","x-ray","1.54184","CuKα","","0.0436","0.04","","","0.1099","0.1129","","","","","","1.058","","","","has coordinates","227050","2020-10-21","18:00:00",""
"4035602","8.4787","0.0004","8.6972","0.0004","15.3983","0.0007","75.798","0.004","75.711","0.004","61.508","0.005","956.17","0.09","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C48 H44 N4 O4 -","2","1","","Simeth, Nadja A.; Altmann, Lisa-Marie; Wössner, Nathalie; Bauer, Elisabeth; Jung, Manfred; König, Burkhard","Photochromic Indolyl Fulgimides as Chromo-pharmacophores Targeting Sirtuins.","The Journal of organic chemistry","2018","83","15","7919","7927","10.1021/acs.joc.8b00795","","x-ray","1.54184","CuKα","","0.039","0.0356","","","0.0924","0.0953","","","","","","1.06","","","","has coordinates","227051","2020-10-21","18:00:00",""
"4035603","9.6373","0.0003","9.6529","0.0003","11.2938","0.0004","104.087","0.003","108.553","0.003","93.234","0.002","955.79","0.06","293.48","0.1","293.48","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C48 H44 N4 O6 -","2","1","","Simeth, Nadja A.; Altmann, Lisa-Marie; Wössner, Nathalie; Bauer, Elisabeth; Jung, Manfred; König, Burkhard","Photochromic Indolyl Fulgimides as Chromo-pharmacophores Targeting Sirtuins.","The Journal of organic chemistry","2018","83","15","7919","7927","10.1021/acs.joc.8b00795","","x-ray","1.54184","CuKα","","0.0407","0.0351","","","0.0866","0.0909","","","","","","1.035","","","","has coordinates","227052","2020-10-21","18:00:00",""
"4035604","12.197","0.003","18.407","0.005","10.556","0.003","99.057","0.006","99.848","0.006","98.921","0.006","2265.2","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H132 Br4 O16 -","- C88 H132 Br4 O16 -","- C88 H132 Br4 O16 -","1","0.5","","Corradi, Silvia; Mazzoccanti, Giulia; Ghirga, Francesca; Quaglio, Deborah; Nevola, Laura; Massera, Chiara; Ugozzoli, Franco; Giannini, Giuseppe; Ciogli, Alessia; D'Acquarica, Ilaria","Synthesis of Bromoundecyl Resorc[4]arenes and Applications of the Cone Stereoisomer as Selector for Liquid Chromatography.","The Journal of organic chemistry","2018","83","15","7683","7693","10.1021/acs.joc.8b00488","","","0.71073","MoKα","","0.2636","0.1116","","","0.291","0.3495","","","","","","1.013","","","","has coordinates","227053","2020-10-21","18:00:00",""
"4035605","7.0293","0.0003","9.9371","0.0007","11.3882","0.0008","111.307","0.003","101.28","0.004","92.617","0.004","720.83","0.08","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C16 H20 Cl N O2 -","- C16 H20 Cl N O2 -","- C32 H40 Cl2 N2 O4 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Total Synthesis of (±)-Crinane from 6,6-Dibromobicyclo[3.1.0]hexane Using a 5- exo- trig Radical Cyclization Reaction to Assemble the C3a-Arylated Perhydroindole Substructure.","The Journal of organic chemistry","2018","83","15","8493","8498","10.1021/acs.joc.8b01088","","","0.71073","MoKα","","0.0596","0.0424","","0.1102","0.0997","0.1102","","","","","","0.9949","","","","has coordinates","227054","2020-10-21","18:00:00",""
"4035606","11.587","0.001","9.8447","0.0009","21.773","0.002","90","","103.624","0.004","90","","2413.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N O2 S -","- C31 H25 N O2 S -","- C124 H100 N4 O8 S4 -","4","1","","Chakraborty, Baitan; Jalal, Swapnadeep; Paul, Kartick; Kundal, Sandip; Jana, Umasish","Metal-Catalyzed Domino Synthesis of Benzophenanthridines and 6 H-Naphtho[2,3- c]-chromenes.","The Journal of organic chemistry","2018","83","15","8139","8149","10.1021/acs.joc.8b00924","","","0.71073","MoKα","","0.0573","0.0444","","","0.1152","0.1248","","","","","","1.035","","","","has coordinates","227055","2020-10-21","18:00:00",""
"4035607","22.1891","0.0017","6.3782","0.0006","19.734","0.002","90","","90.833","0.008","90","","2792.6","0.4","295.2","0.3","295.2","0.3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N -","- C18 H17 N -","- C144 H136 N8 -","8","1","","Song, Xia; Gao, Cai; Li, Bin; Zhang, Xinying; Fan, Xuesen","Regioselective Synthesis of 2-Alkenylindoles and 2-Alkenylindole-3-carboxylates through the Cascade Reactions of N-Nitrosoanilines with Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","8509","8521","10.1021/acs.joc.8b01098","","x-ray","0.71073","MoKα","","0.0681","0.0596","","","0.1443","0.1517","","","","","","1.09","","","","has coordinates","227056","2020-10-21","18:00:00",""
"4035608","15.605","0.0018","12.3062","0.0014","9.1044","0.001","90","","116.98","0.003","90","","1558.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Mal, Abhijit; Wani, Imtiyaz Ahmad; Goswami, Gaurav; Ghorai, Manas K.","Synthesis of Nonracemic 1,4-Benzoxazines via Ring Opening/Cyclization of Activated Aziridines with 2-Halophenols: Formal Synthesis of Levofloxacin.","The Journal of organic chemistry","2018","83","15","7907","7918","10.1021/acs.joc.8b00788","","","0.71073","MoKα","","0.0894","0.0513","","","0.1034","0.1165","","","","","","1.029","","","","has coordinates","227057","2020-10-21","18:00:00",""
"4035609","13.486","0.0018","11.4551","0.0014","12.082","0.0016","90","","102.923","0.004","90","","1819.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F N O3 S -","- C21 H18 F N O3 S -","- C84 H72 F4 N4 O12 S4 -","4","1","","Mal, Abhijit; Wani, Imtiyaz Ahmad; Goswami, Gaurav; Ghorai, Manas K.","Synthesis of Nonracemic 1,4-Benzoxazines via Ring Opening/Cyclization of Activated Aziridines with 2-Halophenols: Formal Synthesis of Levofloxacin.","The Journal of organic chemistry","2018","83","15","7907","7918","10.1021/acs.joc.8b00788","","","0.71073","MoKα","","0.0824","0.0461","","","0.1093","0.1227","","","","","","1.079","","","","has coordinates","227058","2020-10-21","18:00:00",""
"4035610","11.211","0.0008","14.2243","0.0011","16.9228","0.0013","90","","90","","90","","2698.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C120 H108 N12 O24 -","4","1","","Lin, Ye; Zhao, Bo-Liang; Du, Da-Ming","Organocatalytic Asymmetric Synthesis of 3,3'-Pyrrolidinyl-bispirooxindoles via Michael/ N-Hemiketalization Cascade Reaction between 3-Aminooxindoles and Isatin-Derived β,γ-Unsaturated α-Keto Esters.","The Journal of organic chemistry","2018","83","15","7741","7750","10.1021/acs.joc.8b00632","","","0.71073","MoKα","","0.0541","0.0424","","","0.1111","0.1184","","","","","","1.013","","","","has coordinates","227059","2020-10-21","18:00:00",""
"4035611","7.8808","0.0004","10.2314","0.0005","11.1564","0.0005","90.661","0.002","93.685","0.002","98.549","0.002","887.52","0.07","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O -","- C21 H23 N O -","- C42 H46 N2 O2 -","2","1","","Anukumar, Adapa; Tamizmani, Masilamani; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Regioselective-Controlled Allenylation/Cyclization of Benzimides with Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","8567","8580","10.1021/acs.joc.8b01123","","","0.71073","MoKα","","0.0805","0.0647","","","0.1737","0.1974","","","","","","1.0955","","","","has coordinates","227060","2020-10-21","18:00:00",""
"4035612","9.9055","0.0005","16.8514","0.0009","16.5076","0.0009","90","","98.01","0.001","90","","2728.6","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 F6 N O2 Ru S Sb -","- C22 H32 F6 N O2 Ru S Sb -","- C88 H128 F24 N4 O8 Ru4 S4 Sb4 -","4","1","","Anukumar, Adapa; Tamizmani, Masilamani; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Regioselective-Controlled Allenylation/Cyclization of Benzimides with Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","8567","8580","10.1021/acs.joc.8b01123","","","0.71073","MoKα","","0.094","0.0518","","","0.1147","0.133","","","","","","1.016","","","","has coordinates","227061","2020-10-21","18:00:00",""
"4035613","5.5636","0.0001","10.0307","0.0003","17.1567","0.0004","90","","94.85","0.002","90","","954.03","0.04","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Huang, Yekai; Li, Yanan; Sun, Jianan; Li, Jindong; Zha, Zhenggen; Wang, Zhiyong","Enantioselective Hetero-Diels-Alder Reaction and the Synthesis of Spiropyrrolidone Derivatives.","The Journal of organic chemistry","2018","83","15","8464","8472","10.1021/acs.joc.8b01057","","","1.54184","CuKα","","0.0405","0.0401","","","0.1076","0.1082","","","","","","1.04","","","","has coordinates","227062","2020-10-21","18:00:00",""
"4035614","11.506","0.003","8.565","0.002","18.844","0.005","90","","104.706","0.004","90","","1796.2","0.8","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O6 -","- C17 H25 N O6 -","- C68 H100 N4 O24 -","4","1","","Chaumont, Pauline; Baudoux, Jérome; Maddaluno, Jacques; Rouden, Jacques; Harrison-Marchand, Anne","Access to Anti or Syn 2-Amino-1,3-diol Scaffolds from a Common Decarboxylative Aldol Adduct.","The Journal of organic chemistry","2018","83","15","8081","8091","10.1021/acs.joc.8b00901","","x-ray","0.71073","MoKα","","0.0631","0.0472","","","0.1233","0.1364","","","","","","1.029","","","","has coordinates","227063","2020-10-21","18:00:00",""
"4035615","10.0751","0.0006","10.5272","0.0005","12.2309","0.0009","107.851","0.005","98.524","0.005","103.443","0.005","1166.72","0.14","293","2","293","2","","","","","","","synthesis","5","P -1","-P 1","2","","unk","","- C27 H23 Cl N2 O3 -","- C27 H23 Cl N2 O3 -","- C54 H46 Cl2 N4 O6 -","2","1","","Mondal, Buddhadeb; Maity, Rajendra; Pan, Subhas Chandra","Highly Diastereo- and Enantioselective Synthesis of Spiro-tetrahydrofuran-pyrazolones via Organocatalytic Cascade Reaction between γ-Hydroxyenones and Unsaturated Pyrazolones.","The Journal of organic chemistry","2018","83","15","8645","8654","10.1021/acs.joc.8b00781","","x-ray","0.71073","MoKα","","0.0646","0.046","","","0.1055","0.1212","","","","","","1.054","","","","has coordinates","227064","2020-10-21","18:00:00",""
"4035616","8.0562","0.0004","11.4317","0.0004","23.0771","0.0008","90","","90","","90","","2125.31","0.15","293.38","0.1","293.38","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 S -","- C21 H28 O3 S -","- C84 H112 O12 S4 -","4","1","","Qi, Zhenjie; Jiang, Yong; Wang, Yanyan; Yan, Rulong","tert-Butyl Nitrite Promoted Oxidative Intermolecular Sulfonamination of Alkynes to Synthesize Substituted Sulfonyl Pyrroles from the Alkynylamines and Sulfinic Acids.","The Journal of organic chemistry","2018","83","15","8636","8644","10.1021/acs.joc.8b00741","","","0.71073","MoKα","","0.0607","0.0476","","","0.1044","0.1147","","","","","","1.094","","","","has coordinates","227065","2020-10-21","18:00:00",""
"4035617","18.8922","0.0006","6.28593","0.00019","32.1626","0.001","90","","96.756","0.003","90","","3792.9","0.2","293.6","0.2","293.6","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H19 N O2 S -","- C23 H19 N O2 S -","- C184 H152 N8 O16 S8 -","8","1","","Qi, Zhenjie; Jiang, Yong; Wang, Yanyan; Yan, Rulong","tert-Butyl Nitrite Promoted Oxidative Intermolecular Sulfonamination of Alkynes to Synthesize Substituted Sulfonyl Pyrroles from the Alkynylamines and Sulfinic Acids.","The Journal of organic chemistry","2018","83","15","8636","8644","10.1021/acs.joc.8b00741","","","1.54184","CuKα","","0.0622","0.0525","","","0.1406","0.153","","","","","","1.086","","","","has coordinates","227066","2020-10-21","18:00:00",""
"4035618","16.583","0.003","8.866","0.002","14.163","0.003","90","0.03","105.46","0.03","90","0.03","2007","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 Br4 N4 O12 S4 -","- C84 H80 Br4 N4 O12 S4 -","- C84 H80 Br4 N4 O12 S4 -","1","0.25","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.1689","0.0596","","","0.1146","0.1534","","","","","","0.916","","","","has coordinates","227067","2020-10-21","18:00:00",""
"4035619","7.47","0.007","8.825","0.009","14.677","0.015","106.34","0.03","98.72","0.04","98.1","0.04","900.4","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br N O2 S -","- C20 H18 Br N O2 S -","- C40 H36 Br2 N2 O4 S2 -","2","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.1989","0.0735","","","0.1541","0.2004","","","","","","0.967","","","","has coordinates","227068","2020-10-21","18:00:00",""
"4035620","10.674","","8.724","","19.899","","90","","90.82","","90","","1852.81","","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.0348","0.0282","","","0.0737","0.0787","","","","","","0.826","","","","has coordinates","227069","2020-10-21","18:00:00",""
"4035621","8.068","0.002","15.653","0.003","29.131","0.006","90","0.03","91.42","0.03","90","0.03","3677.8","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N O2 S -","- C20 H18 Br N O2 S -","- C160 H144 Br8 N8 O16 S8 -","8","2","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.2346","0.0656","","","0.1496","0.2153","","","","","","0.846","","","","has coordinates","227070","2020-10-21","18:00:00",""
"4035622","12.501","0.003","9.83","0.002","16.624","0.003","90","0.03","96.1","0.03","90","0.03","2031.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br N O4 S -","- C22 H20 Br N O4 S -","- C88 H80 Br4 N4 O16 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.0751","0.0397","","","0.0859","0.0969","","","","","","1.036","","","","has coordinates","227071","2020-10-21","18:00:00",""
"4035623","14.669","0.003","12.306","0.002","10.376","0.002","90","0.03","95.33","0.03","90","0.03","1864.9","0.6","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H60 Br4 N8 O16 S4 -","- C76 H60 Br4 N8 O16 S4 -","- C76 H60 Br4 N8 O16 S4 -","1","0.25","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.2936","0.0963","","","0.2487","0.3317","","","","","","0.955","","","","has coordinates","227072","2020-10-21","18:00:00",""
"4035624","16.594","0.003","11.829","0.002","10.155","0.002","90","0.03","99.28","0.03","90","0.03","1967.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.2275","0.0943","","","0.2597","0.381","","","","","","1.081","","","","has coordinates","227073","2020-10-21","18:00:00",""
"4035625","13.362","0.003","12.695","0.003","10.481","0.002","90","0.03","92.45","0.03","90","0.03","1776.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O4 S -","- C19 H15 Br N2 O4 S -","- C76 H60 Br4 N8 O16 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.0758","0.0399","","","0.0819","0.093","","","","","","1.013","","","","has coordinates","227074","2020-10-21","18:00:00",""
"4035626","14.7","0.003","10.776","0.002","11.324","0.002","90","0.03","101.79","0.03","90","0.03","1756","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl N2 O4 S -","- C19 H15 Cl N2 O4 S -","- C76 H60 Cl4 N8 O16 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.1672","0.0616","","","0.0806","0.1024","","","","","","0.911","","","","has coordinates","227075","2020-10-21","18:00:00",""
"4035627","12.6225","0.0007","11.0261","0.0004","11.4992","0.0007","90","","114.099","0.007","90","","1460.93","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Jie, Lianghua; Wang, Lianhui; Xiong, Dan; Yang, Zi; Zhao, Di; Cui, Xiuling","Synthesis of 2-Arylindoles through Pd(II)-Catalyzed Cyclization of Anilines with Vinyl Azides.","The Journal of organic chemistry","2018","83","18","10974","10984","10.1021/acs.joc.8b01618","","x-ray","1.54184","CuKα","","0.0586","0.0424","","","0.1107","0.124","","","","","","1.026","","","","has coordinates","227076","2020-10-21","18:00:00",""
"4035628","6.7121","0.0002","13.5402","0.0004","26.518","0.0008","90","","90","","90","","2410.04","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl- 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine","","- C24 H25 Cl F N7 O -","- C24 H25 Cl F N7 O -","- C96 H100 Cl4 F4 N28 O4 -","4","1","","Strotman, Neil A.; Ramirez, Antonio; Simmons, Eric M.; Soltani, Omid; Parsons, Andrew T.; Fan, Yu; Sawyer, James R.; Rosner, Thorsten; Janey, Jacob M.; Tran, Kristy; Li, Jun; La Cruz, Thomas E.; Pathirana, Charles; Ng, Alicia T.; Deerberg, Joerg","Enantioselective Synthesis of a γ-Secretase Modulator via Vinylogous Dynamic Kinetic Resolution.","The Journal of organic chemistry","2018","83","18","11133","11144","10.1021/acs.joc.8b01734","","","1.54178","CuKα","","0.0269","0.0259","","","0.0714","0.0721","","","","","","1.053","","","","has coordinates","227077","2020-10-21","18:00:00",""
"4035629","9.8583","0.0005","10.4135","0.0005","27.9889","0.0015","90","","97.161","0.003","90","","2850.9","0.3","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 N7 O5 -","- C29 H37 N7 O5 -","- C116 H148 N28 O20 -","4","0.5","","Santhiya, Kuppusamy; Sen, Shovan K.; Natarajan, Ramalingam; Shankar, Ramasamy; Murugesapandian, Balasubramanian","D-A-D Structured Bis-acylhydrazone Exhibiting Aggregation-Induced Emission, Mechanochromic Luminescence, and Al(III) Detection.","The Journal of organic chemistry","2018","83","18","10770","10775","10.1021/acs.joc.8b01377","","","0.71073","MoKα","","0.1014","0.0687","","","0.1813","0.2057","","","","","","1.062","","","","has coordinates,has disorder","227078","2020-10-21","18:00:00",""
"4035630","16.6752","0.001","13.1536","0.0008","9.2239","0.0005","90","","102.569","0.002","90","","1974.7","0.2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br O5 -","- C22 H21 Br O5 -","- C88 H84 Br4 O20 -","4","1","","Vayer, Marie; Guillot, Régis; Bour, Christophe; Gandon, Vincent","Synthesis of 3-Substituted 3-Bromo-1-phenylallenes from Alkynylcycloheptatrienes.","The Journal of organic chemistry","2018","83","18","11309","11317","10.1021/acs.joc.8b01498","","x-ray","0.71073","MoKα","","0.0616","0.0479","","","0.1433","0.1532","","","","","","1.025","","","","has coordinates","227079","2020-10-21","18:00:00",""
"4035631","8.5895","0.0005","10.8126","0.0006","14.9943","0.0007","72.385","0.002","81.878","0.002","75.389","0.003","1281.18","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.5 H23 Cl N2 O3 -","- C32.5 H23 Cl N2 O3 -","- C65 H46 Cl2 N4 O6 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Dictating the Reactivity of η<sup>3</sup>-Oxoallyl Pd-Intermediate toward 5- exo-trig Cyclization: Access to Indano-spirooxindoles.","The Journal of organic chemistry","2018","83","18","11298","11308","10.1021/acs.joc.8b01891","","","0.71073","MoKα","","0.113","0.0568","","","0.1442","0.1874","","","","","","1.034","","","","has coordinates,has disorder","227080","2020-10-21","18:00:00",""
"4035632","13.0898","0.0008","13.4038","0.0008","13.8384","0.0008","67.773","0.002","82.535","0.002","89.424","0.003","2226.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N O3 -","- C31 H19 N O3 -","- C124 H76 N4 O12 -","4","2","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Dictating the Reactivity of η<sup>3</sup>-Oxoallyl Pd-Intermediate toward 5- exo-trig Cyclization: Access to Indano-spirooxindoles.","The Journal of organic chemistry","2018","83","18","11298","11308","10.1021/acs.joc.8b01891","","","0.71073","MoKα","","0.1239","0.0613","","","0.1543","0.1966","","","","","","1.02","","","","has coordinates,has disorder","227081","2020-10-21","18:00:00",""
"4035633","24.0269","0.0004","11.51228","0.00018","15.7204","0.0003","90","","103.112","0.0019","90","","4234.97","0.13","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C192 H200 N8 O24 S8 -","8","1","","Bal, Ankita; Maiti, Saikat; Mal, Prasenjit","Iodine(III)-Enabled Distal C-H Functionalization of Biarylsulfonanilides.","The Journal of organic chemistry","2018","83","18","11278","11287","10.1021/acs.joc.8b01857","","","1.54184","CuKα","","0.0637","0.0611","","","0.1662","0.1696","","","","","","1.0278","","","","has coordinates","227082","2020-10-21","18:00:00",""
"4035634","9.6849","0.0008","14.6284","0.0011","20.1462","0.0016","90","","98.8224","0.0011","90","","2820.4","0.4","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N -","- C20 H15 N -","- C160 H120 N8 -","8","2","","Kishi, Atsushi; Moriyama, Katsuhiko; Togo, Hideo","Preparation of Phenanthridines from o-Cyanobiaryls via Addition of Organic Lithiums to Nitriles and Imino Radical Cyclization with Iodine.","The Journal of organic chemistry","2018","83","18","11080","11088","10.1021/acs.joc.8b01688","","","0.71073","MoKα","","0.0914","0.0484","","","0.1148","0.1416","","","","","","1.043","","","","has coordinates","227083","2020-10-21","18:00:00",""
"4035635","10.8906","0.0006","13.1404","0.0007","14.9044","0.0008","90","","90","","90","","2132.9","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Br O6 -","- C20 H29 Br O6 -","- C80 H116 Br4 O24 -","4","1","","Takagi, Ryukichi; Fujii, Emi; Kondo, Hirotoshi","Enantioselective Michael Reaction of Cyclic β-Ketoesters with Morita-Baylis-Hillman Derivatives Using a Phase-Transfer Catalyst.","The Journal of organic chemistry","2018","83","18","11191","11203","10.1021/acs.joc.8b01777","","","0.71073","MoKa","","0.0222","0.0201","","","0.047","0.0474","","","","","","0.918","","","","has coordinates","227084","2020-10-21","18:00:00",""
"4035636","10.6537","0.0001","10.6537","0.0001","29.4663","0.0004","90","","90","","120","","2896.39","0.05","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C114 H180 O30 -","6","1","","Takagi, Ryukichi; Fujii, Emi; Kondo, Hirotoshi","Enantioselective Michael Reaction of Cyclic β-Ketoesters with Morita-Baylis-Hillman Derivatives Using a Phase-Transfer Catalyst.","The Journal of organic chemistry","2018","83","18","11191","11203","10.1021/acs.joc.8b01777","","","0.71073","MoKa","","0.0501","0.0457","","","0.1028","0.1053","","","","","","0.945","","","","has coordinates","227085","2020-10-21","18:00:00",""
"4035637","8.715","0.003","14.329","0.006","21.298","0.009","90","","90","","90","","2659.6","1.8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Br N O3 S -","- C25 H36 Br N O3 S -","- C100 H144 Br4 N4 O12 S4 -","4","1","","Reddy, Arava Amaranadha; Prasad, Kavirayani R.","Addition of the Lithium Anion of Diphenylmethanol Methyl/Methoxymethyl Ether to Nonracemic Sulfinimines: Two-Step Asymmetric Synthesis of Diphenylprolinol Methyl Ether and Chiral (Diphenylmethoxymethyl)amines.","The Journal of organic chemistry","2018","83","18","10776","10785","10.1021/acs.joc.8b01381","","x-ray","0.71076","MoKα","","0.0868","0.0574","","","0.1397","0.1569","","","","","","1.02","","","","has coordinates","227086","2020-10-21","18:00:00",""
"4035638","14.466","0.002","7.833","0.0015","20.727","0.004","90","","98.549","0.015","90","","2322.5","0.7","298","2","298","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Castillo, Juan-Carlos; Tigreros, Alexis; Portilla, Jaime","3-Formylpyrazolo[1,5- a]pyrimidines as Key Intermediates for the Preparation of Functional Fluorophores.","The Journal of organic chemistry","2018","83","18","10887","10897","10.1021/acs.joc.8b01571","","","0.71073","MoKα","","0.0792","0.0603","","","0.1616","0.1816","","","","","","1.037","","","","has coordinates","227087","2020-10-21","18:00:00",""
"4035639","8.9612","0.001","10.0158","0.0006","12.9123","0.0009","86.048","0.005","82.551","0.007","75.919","0.007","1113.77","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N3 O3 S -","- C24 H25 N3 O3 S -","- C48 H50 N6 O6 S2 -","2","1","","Strelnikova, Julia O.; Rostovskii, Nikolai V.; Starova, Galina L.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Rh(II)-Catalyzed Transannulation of 1,2,4-Oxadiazole Derivatives with 1-Sulfonyl-1,2,3-triazoles: Regioselective Synthesis of 5-Sulfonamidoimidazoles.","The Journal of organic chemistry","2018","83","18","11232","11244","10.1021/acs.joc.8b01809","","","0.71073","MoKα","","0.0689","0.0484","","","0.1156","0.13","","","","","","1.029","","","","has coordinates","227088","2020-10-21","18:00:00",""
"4035640","5.6211","0.0005","10.32","0.0013","36.416","0.005","90","","90","","90","","2112.5","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 F N3 O4 S -","- C24 H20 F N3 O4 S -","- C96 H80 F4 N12 O16 S4 -","4","1","","Strelnikova, Julia O.; Rostovskii, Nikolai V.; Starova, Galina L.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Rh(II)-Catalyzed Transannulation of 1,2,4-Oxadiazole Derivatives with 1-Sulfonyl-1,2,3-triazoles: Regioselective Synthesis of 5-Sulfonamidoimidazoles.","The Journal of organic chemistry","2018","83","18","11232","11244","10.1021/acs.joc.8b01809","","","0.71073","MoKα","","0.1252","0.0883","","","0.1595","0.1819","","","","","","1.09","","","","has coordinates","227089","2020-10-21","18:00:00",""
"4035641","14.274","0.004","14.345","0.004","27.42","0.008","90","","90","","90","","5615","3","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H51 N9 O12 -","- C64 H51 N9 O12 -","- C256 H204 N36 O48 -","4","1","","Ema, Tadashi; Yamasaki, Takayuki; Watanabe, Sagiri; Hiyoshi, Mahoko; Takaishi, Kazuto","Cross-Coupling Approach to an Array of Macrocyclic Receptors Functioning as Chiral Solvating Agents.","The Journal of organic chemistry","2018","83","18","10762","10769","10.1021/acs.joc.8b01327","","","0.71075","MoKα","","0.0433","0.0407","","","0.1043","0.107","","","","","","1","","","","has coordinates,has disorder","227090","2020-10-21","18:00:00",""
"4035642","17.5225","0.0004","17.5225","0.0004","13.2022","0.0007","90","","90","","90","","4053.6","0.3","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H18 N2 O2 S2 -","- C22 H18 N2 O2 S2 -","- C176 H144 N16 O16 S16 -","8","1","","Liu, Bei-Bei; Cao, Wen-Bin; Wang, Fei; Wang, Shun-Yi; Ji, Shun-Jun","[4 + 1] Cycloaddition Reaction of α,β-Alkynic Hydrazones and KSCN under Transition-Metal-Free Conditions: Synthesis of N-Iminoisothiazolium Ylides.","The Journal of organic chemistry","2018","83","18","11118","11124","10.1021/acs.joc.8b01725","","","0.71073","MoKα","","0.055","0.038","","","0.0882","0.1086","","","","","","1.135","","","","has coordinates","227091","2020-10-21","18:00:00",""
"4035643","9.1965","0.0009","10.8969","0.0011","20.4802","0.0019","90","","98.954","0.01","90","","2027.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O3 S2 -","- C22 H18 N2 O3 S2 -","- C88 H72 N8 O12 S8 -","4","1","","Liu, Bei-Bei; Cao, Wen-Bin; Wang, Fei; Wang, Shun-Yi; Ji, Shun-Jun","[4 + 1] Cycloaddition Reaction of α,β-Alkynic Hydrazones and KSCN under Transition-Metal-Free Conditions: Synthesis of N-Iminoisothiazolium Ylides.","The Journal of organic chemistry","2018","83","18","11118","11124","10.1021/acs.joc.8b01725","","","0.71073","MoKα","","0.1509","0.073","","","0.1805","0.2438","","","","","","1.023","","","","has coordinates","227092","2020-10-21","18:00:00",""
"4035644","8.3349","0.0007","11.2541","0.0007","11.5632","0.0008","90.401","0.005","110.25","0.007","103.9","0.006","982.96","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O8 S4 -","- C13 H18 N2 O8 S4 -","- C26 H36 N4 O16 S8 -","2","1","","Zhu, Bo; Li, Fuyuan; Lu, Bohua; Chang, Junbiao; Jiang, Zhiyong","Organocatalytic Enantioselective Vinylogous Aldol Reaction of 5-Alkyl-4-Nitroisoxazoles to Paraformaldehyde.","The Journal of organic chemistry","2018","83","18","11350","11358","10.1021/acs.joc.8b01573","","x-ray","1.54184","CuKα","","0.0515","0.0418","","","0.1123","0.1204","","","","","","1.031","","","","has coordinates","227093","2020-10-21","18:00:00",""
"4035645","9.779","0.007","16.269","0.012","7.242","0.005","90","","109.31","0.02","90","","1087.3","1.4","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl O-(4-chlorobenzyl) thiocarbamate","","- C10 H12 Cl N O S -","- C10 H12 Cl N O S -","- C40 H48 Cl4 N4 O4 S4 -","4","1","","Eriksen, Kristina; Ulfkjær, Anne; Sølling, Theis I; Pittelkow, Michael","Benzylic Thio and Seleno Newman-Kwart Rearrangements.","The Journal of organic chemistry","2018","83","18","10786","10797","10.1021/acs.joc.8b01468","","","0.71073","MoKα","","0.0595","0.0369","","","0.0791","0.0889","","","","","","1.0346","","","","has coordinates","227094","2020-10-21","18:00:00",""
"4035646","11.91","0.04","4.681","0.013","20.27","0.06","90","","90","","90","","1130","6","293","2","293.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","S-(4-chlorobenzyl) dimethylcarbamothioate","","- C10 H12 Cl N O S -","- C10 H12 Cl N O S -","- C40 H48 Cl4 N4 O4 S4 -","4","1","","Eriksen, Kristina; Ulfkjær, Anne; Sølling, Theis I; Pittelkow, Michael","Benzylic Thio and Seleno Newman-Kwart Rearrangements.","The Journal of organic chemistry","2018","83","18","10786","10797","10.1021/acs.joc.8b01468","","","0.71073","MoKα","","0.0451","0.0373","","","0.0799","0.084","","","","","","1.048","","","","has coordinates","227095","2020-10-21","18:00:00",""
"4035647","5.933","0.0003","22.0041","0.0011","7.9392","0.0004","90","","100.687","0.002","90","","1018.49","0.09","122.15","","122.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O Se -","- C10 H13 N O Se -","- C40 H52 N4 O4 Se4 -","4","1","","Eriksen, Kristina; Ulfkjær, Anne; Sølling, Theis I; Pittelkow, Michael","Benzylic Thio and Seleno Newman-Kwart Rearrangements.","The Journal of organic chemistry","2018","83","18","10786","10797","10.1021/acs.joc.8b01468","","","0.71073","MoKα","","0.0323","0.0247","","","0.0537","0.056","","","","","","1.051","","","","has coordinates","227096","2020-10-21","18:00:00",""
"4035648","6.7378","0.0003","8.7192","0.0004","24.6946","0.0012","90","","90","","90","","1450.76","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Carreras, Javier; Popowski, Yanay; Caballero, Ana; Amir, Elizabeth; Pérez, Pedro J","Catalytic Functionalization of C-H Bonds of Azulene by Carbene/Nitrene Incorporation.","The Journal of organic chemistry","2018","83","18","11125","11132","10.1021/acs.joc.8b01731","","x-ray","0.71073","MoKα","","0.0336","0.0306","","","0.079","0.0808","","","","","","1.065","","","","has coordinates","227097","2020-10-21","18:00:00",""
"4035649","38.954","0.003","5.8456","0.0004","9.0416","0.0006","90","","91.242","0.004","90","","2058.4","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","0.5","","Carreras, Javier; Popowski, Yanay; Caballero, Ana; Amir, Elizabeth; Pérez, Pedro J","Catalytic Functionalization of C-H Bonds of Azulene by Carbene/Nitrene Incorporation.","The Journal of organic chemistry","2018","83","18","11125","11132","10.1021/acs.joc.8b01731","","","0.71073","MoKα","","0.1239","0.0781","","","0.2234","0.338","","","","","","1.277","","","","has coordinates","227098","2020-10-21","18:00:00",""
"4035650","11.1361","0.0007","7.7797","0.0004","30.9551","0.0019","90","","90","","90","","2681.8","0.3","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C19 H18 -","- C19 H18 -","- C152 H144 -","8","1","","Hsueh, Nein-Chen; Lai, Kai-Shang; Chang, Meng-Yang","Stereocontrolled Construction of 1-Vinylindanes via Intramolecular Cyclization of o-Cinnamyl Chalcones.","The Journal of organic chemistry","2018","83","18","11415","11424","10.1021/acs.joc.8b01729","","","0.71073","MoKα","","0.0522","0.0411","","","0.0947","0.1114","","","","","","1.077","","","","has coordinates","227099","2020-10-21","18:00:00",""
"4035651","11.796","0.003","17.15","0.005","13.523","0.004","90","","110.944","0.007","90","","2555","1.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O6 -","- C31 H34 O6 -","- C124 H136 O24 -","4","1","","Hsueh, Nein-Chen; Lai, Kai-Shang; Chang, Meng-Yang","Stereocontrolled Construction of 1-Vinylindanes via Intramolecular Cyclization of o-Cinnamyl Chalcones.","The Journal of organic chemistry","2018","83","18","11415","11424","10.1021/acs.joc.8b01729","","","0.71073","MoKα","","0.0956","0.0642","","","0.151","0.1677","","","","","","1.126","","","","has coordinates","227099","2020-10-21","18:00:00",""
"4035652","9.1101","0.0003","12.099","0.0004","13.0759","0.0004","95.5755","0.0006","100.893","0.0006","95.2109","0.0007","1399.78","0.08","90","2","90","2","","","","","","","","4","P -1","-P 1","2","NO180","","","- C28 H40 N2 O5 -","- C28 H40 N2 O5 -","- C56 H80 N4 O10 -","2","1","","Soeta, Takahiro; Ohashi, Nobuhiko; Kobayashi, Toshiharu; Sakata, Yoko; Suga, Takuya; Ukaji, Yutaka","Synthesis of Sterically Fixed Phytochrome Chromophore Derivatives Bearing a 15 E- Fixed or 15 E- Anti- Fixed CD-Ring Component.","The Journal of organic chemistry","2018","83","18","10743","10748","10.1021/acs.joc.8b01252","","","1.54178","CuKα","","0.0595","0.0585","","","0.155","0.1559","","","","","","1.044","","","","has coordinates,has disorder","227100","2020-10-21","18:00:00",""
"4035653","9.4899","0.0005","10.4443","0.0005","14.7373","0.0007","98.0511","0.0012","102.964","0.0014","93.8281","0.0014","1402.12","0.12","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 Cl N2 O5 -","- C28 H39 Cl N2 O5 -","- C56 H78 Cl2 N4 O10 -","2","1","","Soeta, Takahiro; Ohashi, Nobuhiko; Kobayashi, Toshiharu; Sakata, Yoko; Suga, Takuya; Ukaji, Yutaka","Synthesis of Sterically Fixed Phytochrome Chromophore Derivatives Bearing a 15 E- Fixed or 15 E- Anti- Fixed CD-Ring Component.","The Journal of organic chemistry","2018","83","18","10743","10748","10.1021/acs.joc.8b01252","","","1.54178","CuKα","","0.0509","0.0496","","","0.1374","0.1387","","","","","","1.082","","","","has coordinates,has disorder","227101","2020-10-21","18:00:00",""
"4035654","6.50908","0.00006","8.4466","0.0001","29.2131","0.0003","90","","90","","90","","1606.12","0.03","99.97","0.15","99.97","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Wang, Zhi-Peng; Xiang, Sichuan; Shao, Pan-Lin; He, Yun","Catalytic Asymmetric [3 + 2] Cycloaddition Reaction between Aurones and Isocyanoacetates: Access to Spiropyrrolines via Silver Catalysis.","The Journal of organic chemistry","2018","83","18","10995","11007","10.1021/acs.joc.8b01622","","x-ray","1.54184","CuKα","","0.0403","0.0402","","","0.0996","0.0996","","","","","","1.263","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035655","9.82226","0.00011","14.71407","0.00018","30.9505","0.0003","90","","90","","90","","4473.13","0.09","99.97","0.12","99.97","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3.3 H2.79 Cl0.13 N0.13 O0.51 -","- C3.30159 H2.79365 Cl0.125397 N0.126984 O0.507937 -","- C208 H176 Cl7.9 N8 O32 -","63","15.75","","Wang, Zhi-Peng; Xiang, Sichuan; Shao, Pan-Lin; He, Yun","Catalytic Asymmetric [3 + 2] Cycloaddition Reaction between Aurones and Isocyanoacetates: Access to Spiropyrrolines via Silver Catalysis.","The Journal of organic chemistry","2018","83","18","10995","11007","10.1021/acs.joc.8b01622","","x-ray","1.54184","CuKα","","0.0367","0.0344","","","0.0855","0.0868","","","","","","1.043","","","","has coordinates,has disorder","227103","2020-10-21","18:00:00",""
"4035656","14.8638","0.0003","15.2757","0.0003","38.7031","0.0007","90","","90","","90","","8787.7","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H66 N2 O7 S Si2 -","- C41 H66 N2 O7 S Si2 -","- C328 H528 N16 O56 S8 Si16 -","8","1","","Huang, Wen-Yu; Nishikawa, Toshio; Nakazaki, Atsuo","Toward a Synthesis of Fawcettimine-Type Lycopodium Alkaloids: Stereocontrolled Synthesis of a Functionalized Azaspirocycle Precursor.","The Journal of organic chemistry","2018","83","18","11108","11117","10.1021/acs.joc.8b01719","","","1.54187","CuKα","","0.0803","0.0638","","","0.17","0.1806","","","","","","1.055","","","","has coordinates,has disorder","227104","2020-10-21","18:00:00",""
"4035657","13.614","0.006","10.485","0.004","11.854","0.005","90","","109.329","0.014","90","","1596.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Kokuev, Aleksandr O.; Antonova, Yulia A.; Dorokhov, Valentin S.; Golovanov, Ivan S.; Nelyubina, Yulia V.; Tabolin, Andrey A.; Sukhorukov, Alexey Yu; Ioffe, Sema L.","Acylation of Nitronates: [3,3]-Sigmatropic Rearrangement of in Situ Generated N-Acyloxy, N-oxyenamines.","The Journal of organic chemistry","2018","83","18","11057","11066","10.1021/acs.joc.8b01652","","","0.71073","MoKα","","0.0803","0.0464","","","0.1169","0.1518","","","","","","1.063","","","","has coordinates,has disorder","227105","2020-10-21","18:00:00",""
"4035658","6.1212","0.0017","14.764","0.004","22.957","0.006","97.013","0.006","97.345","0.006","100.97","0.006","1997.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N O5 -","- C20 H29 N O5 -","- C80 H116 N4 O20 -","4","2","","Kokuev, Aleksandr O.; Antonova, Yulia A.; Dorokhov, Valentin S.; Golovanov, Ivan S.; Nelyubina, Yulia V.; Tabolin, Andrey A.; Sukhorukov, Alexey Yu; Ioffe, Sema L.","Acylation of Nitronates: [3,3]-Sigmatropic Rearrangement of in Situ Generated N-Acyloxy, N-oxyenamines.","The Journal of organic chemistry","2018","83","18","11057","11066","10.1021/acs.joc.8b01652","","","0.71073","MoKα","","0.1276","0.0965","","","0.2894","0.3046","","","","","","1.361","","","","has coordinates","227106","2020-10-21","18:00:00",""
"4035659","13.627","0.006","13.804","0.006","13.675","0.007","90","","91.26","0.02","90","","2572","2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 N2 -","- C35 H26 N2 -","- C140 H104 N8 -","4","1","","Wang, Yanwei; Li, Bin; Wang, Baiquan","Synthesis of Cinnolines and Cinnolinium Salt Derivatives by Rh(III)-Catalyzed Cascade Oxidative Coupling/Cyclization Reactions.","The Journal of organic chemistry","2018","83","18","10845","10854","10.1021/acs.joc.8b01548","","","0.71073","MoKα","","0.068","0.051","","","0.1166","0.1338","","","","","","1.028","","","","has coordinates","227107","2020-10-21","18:00:00",""
"4035660","20.3423","0.0007","5.7998","0.0002","15.8289","0.0006","90","","109.501","0.002","90","","1760.39","0.11","298","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl N2 S -","- C21 H15 Cl N2 S -","- C84 H60 Cl4 N8 S4 -","4","1","","Behera, Ahalya; Sau, Prasenjit; Sahoo, Ashish Kumar; Patel, Bhisma K.","Cyano-Sacrificial (Arylthio)arylamination of Quinoline and Isoquinoline N-Oxides Using N-(2-(Arylthio)aryl)cyanamides.","The Journal of organic chemistry","2018","83","18","11218","11231","10.1021/acs.joc.8b01797","","","0.71073","MoKα","","0.0657","0.0437","","","0.1406","0.1635","","","","","","1.087","","","","has coordinates","227108","2020-10-21","18:00:00",""
"4035661","19.9729","0.0004","10.88812","0.00017","9.57079","0.00013","90","","90","","90","","2081.33","0.06","217.98","0.1","217.98","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H32 N3 O3 -","- C21 H31 N3 O3 -","- C84 H124 N12 O12 -","4","1","","Liang, Kangjiang; Tong, Xiaogang; Li, Tao; Shi, Bingfei; Wang, Haiyang; Yan, Pengcheng; Xia, Chengfeng","Enantioselective Radical Cyclization of Tryptamines by Visible Light-Excited Nitroxides.","The Journal of organic chemistry","2018","83","18","10948","10958","10.1021/acs.joc.8b01597","","x-ray","1.54184","CuKα","","0.0654","0.0632","","","0.1545","0.1579","","","","","","1.111","","","","has coordinates","227109","2020-10-21","18:00:00",""
"4035662","6.4257","0.0007","8.6814","0.0009","15.9381","0.0016","90","","100.193","0.006","90","","875.06","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C36 H42 Cl2 N4 O6 -","2","1","","Ray, Bidisha; Mukherjee, Santanu","Direct Catalytic Enantioselective Vinylogous Aldol Reaction of Allyl Ketones to Pyrazole-4,5-diones.","The Journal of organic chemistry","2018","83","18","10871","10880","10.1021/acs.joc.8b01566","","","0.71073","MoKα","","0.0313","0.028","","","0.063","0.0649","","","","","","1.023","","","","has coordinates","227110","2020-10-21","18:00:00",""
"4035663","12.502","0.004","10.636","0.003","12.083","0.005","90","","108.882","0.013","90","","1520.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F N -","- C6 H11 Cl F N -","- C48 H88 Cl8 F8 N8 -","8","2","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0792","0.0414","","","0.0808","0.0966","","","","","","1.016","","","","has coordinates","227111","2020-10-21","18:00:00",""
"4035664","14.266","0.002","7.0245","0.0011","7.9744","0.0013","90","","90","","90","","799.1","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H9 Cl F3 N -","- C6 H9 Cl F3 N -","- C24 H36 Cl4 F12 N4 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0328","0.028","","","0.0631","0.0648","","","","","","1.065","","","","has coordinates","227112","2020-10-21","18:00:00",""
"4035665","7.0766","0.0013","7.9156","0.0014","14.04","0.003","90","","102.906","0.006","90","","766.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl F2 N -","- C6 H10 Cl F2 N -","- C24 H40 Cl4 F8 N4 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0374","0.0294","","","0.0687","0.0737","","","","","","1.041","","","","has coordinates","227113","2020-10-21","18:00:00",""
"4035666","6.0902","0.0018","6.5152","0.0017","24.172","0.007","90","","93.433","0.01","90","","957.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl N O2 -","- C8 H14 Cl N O2 -","- C32 H56 Cl4 N4 O8 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.1261","0.0762","","","0.1362","0.1545","","","","","","1.056","","","","has coordinates","227114","2020-10-21","18:00:00",""
"4035667","7.256","0.002","10.418","0.004","10.168","0.003","90","","99.03","0.009","90","","759.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N -","- C7 H10 Cl N -","- C28 H40 Cl4 N4 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0528","0.0376","","","0.0822","0.0875","","","","","","1.028","","","","has coordinates","227115","2020-10-21","18:00:00",""
"4035668","8.4886","0.0009","8.9588","0.001","10.1158","0.0011","86.119","0.003","83.374","0.002","71.079","0.003","722.48","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N S2 -","- C18 H13 N S2 -","- C36 H26 N2 S4 -","2","1","","Kao, Tzu-Ting; Peng, Bo-Kai; Liang, Min-Chieh; Lee, Chia-Jui; Chen, I-Chia; Shia, Kak-Shan; Wu, Yen-Ku","Temperature-Controlled Thiation of α-Cyano-β-Alkynyl Carbonyl Derivatives for De Novo Synthesis of 2-Aminothiophenes and Thieno[2,3- c]isothiazoles.","The Journal of organic chemistry","2018","83","23","14688","14697","10.1021/acs.joc.8b01866","","","0.71073","MoKα","","0.04","0.0316","","","0.0818","0.0871","","","","","","1.053","","","","has coordinates","227116","2020-10-21","18:00:00",""
"4035669","13.0589","0.001","13.3601","0.001","15.5839","0.0009","74.38","0.006","85.802","0.006","73.462","0.007","2510.1","0.3","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H60 O13 -","- C56 H60 O13 -","- C112 H120 O26 -","2","1","","Brotin, Thierry; Jeanneau, Erwann; Berthault, Patrick; Léonce, Estelle; Pitrat, Delphine; Mulatier, Jean-Christophe","Synthesis of Cryptophane-B: Crystal Structure and Study of Its Complex with Xenon.","The Journal of organic chemistry","2018","83","23","14465","14471","10.1021/acs.joc.8b02246","","","1.5418","CuKα","","0.0868","0.0643","","0.1287","0.1064","0.1287","","","","","","1.0134","","","","has coordinates,has disorder","227117","2020-10-21","18:00:00",""
"4035670","12.5","0.003","16.914","0.003","14.059","0.003","90","","100.76","0.03","90","","2920.2","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 Cl F N O2 -","- C17 H11 Cl F N O2 -","- C136 H88 Cl8 F8 N8 O16 -","8","1","","Azizi, Mahboobeh; Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Kia, Reza","Synthesis of Quinolines and Pyrido[3,2- g or 2,3- g]quinolines Catalyzed by Heterogeneous Propylphosphonium Tetrachloroindate Ionic Liquid.","The Journal of organic chemistry","2018","83","23","14743","14750","10.1021/acs.joc.8b02261","","","0.71073","MoKα","","0.063","0.0414","","","0.1135","0.1213","","","","","","1.035","","","","has coordinates","227118","2020-10-21","18:00:00",""
"4035671","9.1673","0.0018","13.916","0.003","14.952","0.003","115.42","0.03","92.81","0.03","96.49","0.03","1701.6","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 Cl2 N -","- C21 H13 Cl2 N -","- C84 H52 Cl8 N4 -","4","2","","Azizi, Mahboobeh; Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Kia, Reza","Synthesis of Quinolines and Pyrido[3,2- g or 2,3- g]quinolines Catalyzed by Heterogeneous Propylphosphonium Tetrachloroindate Ionic Liquid.","The Journal of organic chemistry","2018","83","23","14743","14750","10.1021/acs.joc.8b02261","","","0.71073","MoKα","","0.1463","0.035","","","0.0756","0.1055","","","","","","0.46","","","","has coordinates","227119","2020-10-21","18:00:00",""
"4035672","10.0575","0.0003","7.5881","0.0003","18.921","0.0006","90","","100.548","0.003","90","","1419.6","0.08","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 O3 -","- C15 H15 F3 O3 -","- C60 H60 F12 O12 -","4","1","","Lopez, Susana S.; Jaworski, Ashley A.; Scheidt, Karl A.","NHC-Catalyzed Formal [2+2] Annulations of Allenoates for the Synthesis of Substituted Oxetanes.","The Journal of organic chemistry","2018","83","23","14637","14645","10.1021/acs.joc.8b02464","","","1.54178","CuKα","","0.0465","0.0455","","","0.1165","0.1174","","","","","","1.08","","","","has coordinates,has disorder","227120","2020-10-21","18:00:00",""
"4035673","9.8866","0.0007","7.3687","0.0005","19.7143","0.0013","90","","100.232","0.002","90","","1413.37","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 O3 -","- C15 H15 F3 O3 -","- C60 H60 F12 O12 -","4","1","","Lopez, Susana S.; Jaworski, Ashley A.; Scheidt, Karl A.","NHC-Catalyzed Formal [2+2] Annulations of Allenoates for the Synthesis of Substituted Oxetanes.","The Journal of organic chemistry","2018","83","23","14637","14645","10.1021/acs.joc.8b02464","","","1.54178","CuKα","","0.0292","0.029","","","0.0708","0.071","","","","","","1.041","","","","has coordinates","227121","2020-10-21","18:00:00",""
"4035674","4.7243","0.0013","10.209","0.003","14.125","0.004","103.821","0.006","92.052","0.006","99.033","0.006","651.4","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Br2 N4 O -","- C30 H24 Br2 N4 O -","- C30 H24 Br2 N4 O -","1","0.5","","Shi, Shoujie; Xu, Kang; Jiang, Cheng; Ding, Zhenhua","ZnCl<sub>2</sub>-Catalyzed [3 + 2] Cycloaddition of Benzimidates and 2 H-Azirines for the Synthesis of Imidazoles.","The Journal of organic chemistry","2018","83","23","14791","14796","10.1021/acs.joc.8b02437","","","0.71073","MoKα","","0.0706","0.0482","","","0.1383","0.1499","","","","","","1.093","","","","has coordinates,has disorder","227122","2020-10-21","18:00:00",""
"4035675","19.2831","0.0009","14.1684","0.0006","23.4998","0.0011","90","","96.936","0.002","90","","6373.4","0.5","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 N4 O6 -","- C32 H26 N4 O6 -","- C256 H208 N32 O48 -","8","1","","Qian, Siran; Xie, Zengyang; Liu, Jiaming; Li, Mingshuang; Wang, Shan; Luo, Naili; Wang, Cunde","DBU-Promoted Cascade Annulation of Nitroarylcyclopropane-1,1-dicarbonitriles and 3-Aryl-2-cyanoacrylates: An Access to Highly Functionalized Cyclopenta[ b]furan Derivatives.","The Journal of organic chemistry","2018","83","23","14768","14776","10.1021/acs.joc.8b02325","","","0.71073","MoKα","","0.0987","0.063","","","0.1979","0.2146","","","","","","1.038","","","","has coordinates","227123","2020-10-21","18:00:00",""
"4035676","13.0781","0.0008","16.9366","0.0009","13.9466","0.0007","90","","108.598","0.002","90","","2927.8","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O7 -","- C32 H26 N4 O7 -","- C128 H104 N16 O28 -","4","1","","Qian, Siran; Xie, Zengyang; Liu, Jiaming; Li, Mingshuang; Wang, Shan; Luo, Naili; Wang, Cunde","DBU-Promoted Cascade Annulation of Nitroarylcyclopropane-1,1-dicarbonitriles and 3-Aryl-2-cyanoacrylates: An Access to Highly Functionalized Cyclopenta[ b]furan Derivatives.","The Journal of organic chemistry","2018","83","23","14768","14776","10.1021/acs.joc.8b02325","","","0.71073","MoKα","","0.134","0.0678","","","0.1594","0.1901","","","","","","1.036","","","","has coordinates","227124","2020-10-21","18:00:00",""
"4035677","16.2248","0.0016","21.607","0.002","8.7927","0.0008","90","","90","","90","","3082.5","0.5","143","1","143","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","2","","Kang, Houng; Herling, Madison R.; Niederer, Kyle A.; Lee, Young Eun; Vasu Govardhana Reddy, Peddiahgari; Dey, Sangeeta; Allen, Scott E.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Kim, Gina J.; Kozlowski, Marisa C.","Enantioselective Vanadium-Catalyzed Oxidative Coupling: Development and Mechanistic Insights.","The Journal of organic chemistry","2018","83","23","14362","14384","10.1021/acs.joc.8b02083","","","1.54178","CuKα","","0.031","0.0301","","","0.0829","0.0838","","","","","","1.027","","","","has coordinates","227125","2020-10-21","18:00:00",""
"4035678","9.475","0.002","10.144","0.002","13.66","0.003","98.118","0.003","91.348","0.003","100.871","0.003","1274.7","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O5 S2 -","- C27 H28 N2 O5 S2 -","- C54 H56 N4 O10 S4 -","2","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","Copper-Catalyzed Indole-Selective C-N Coupling Reaction of Indolyl(2-alkoxy-phenyl)iodonium Imides: Effect of Substituent on Iodoarene as Dummy Ligand.","The Journal of organic chemistry","2018","83","23","14827","14833","10.1021/acs.joc.8b02676","","","0.71073","MoKα","","0.0892","0.0508","","","0.1031","0.1223","","","","","","1.015","","","","has coordinates","227126","2020-10-21","18:00:00",""
"4035679","32.963","0.003","8.7052","0.0009","15.5575","0.0015","90","","114.78","0.003","90","","4053.2","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","u180316mor1","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C176 H160 N16 O32 S16 -","8","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","Copper-Catalyzed Indole-Selective C-N Coupling Reaction of Indolyl(2-alkoxy-phenyl)iodonium Imides: Effect of Substituent on Iodoarene as Dummy Ligand.","The Journal of organic chemistry","2018","83","23","14827","14833","10.1021/acs.joc.8b02676","","","1.54178","CuKα","","0.0352","0.0343","","","0.094","0.0951","","","","","","1.067","","","","has coordinates","227127","2020-10-21","18:00:00",""
"4035680","5.581","0.0004","18.9438","0.0014","9.1233","0.0007","90","","93.554","0.005","90","","962.71","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl N O3 -","- C24 H18 Cl N O3 -","- C48 H36 Cl2 N2 O6 -","2","1","","Balha, Megha; Pan, Subhas Chandra","Organocatalytic Asymmetric Synthesis of Bridged Acetals with Spirooxindole Skeleton.","The Journal of organic chemistry","2018","83","23","14703","14712","10.1021/acs.joc.8b02156","","","0.71073","MoKα","","0.0353","0.031","","","0.0561","0.0573","","","","","","1.143","","","","has coordinates","227128","2020-10-21","18:00:00",""
"4035681","19.8813","0.0007","8.7695","0.0003","23.6954","0.0008","90","","112.551","0.0018","90","","3815.4","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H57 N O5 S Si -","- C35 H57 N O5 S Si -","- C140 H228 N4 O20 S4 Si4 -","4","1","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1741","0.0833","","","0.2348","0.2747","","","","","","1.067","","","","has coordinates,has disorder","227129","2020-10-21","18:00:00",""
"4035682","8.0101","0.0006","8.1359","0.0007","33.077","0.002","90","","96.127","0.004","90","","2143.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H34 O5 Si -","- C18 H34 O5 Si -","- C72 H136 O20 Si4 -","4","2","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1686","0.1221","","","0.3039","0.3319","","","","","","1.029","","","","has coordinates,has disorder","227130","2020-10-21","18:00:00",""
"4035683","11.2358","0.0004","12.6433","0.0004","22.2439","0.0007","103.677","0.002","95.436","0.002","97.749","0.002","3015.85","0.18","164","2","164","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 N O5 S Si -","- C27 H47 N O5 S Si -","- C108 H188 N4 O20 S4 Si4 -","4","2","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1635","0.0602","","","0.133","0.1579","","","","","","1.061","","","","has coordinates,has disorder","227131","2020-10-21","18:00:00",""
"4035684","19.206","0.003","11.2062","0.0016","10.5976","0.0015","90","","92.178","0.008","90","","2279.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 O3 Si -","- C22 H36 O3 Si -","- C88 H144 O12 Si4 -","4","1","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.0852","0.0689","","","0.2031","0.2276","","","","","","1.026","","","","has coordinates","227132","2020-10-21","18:00:00",""
"4035685","32.4209","0.0009","8.0512","0.0003","16.2619","0.0005","90","","90.2238","0.0019","90","","4244.8","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H34 O5 Si -","- C18 H34 O5 Si -","- C144 H272 O40 Si8 -","8","2","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1223","0.0646","","","0.172","0.2191","","","","","","1.01","","","","has coordinates","227133","2020-10-21","18:00:00",""
"4035686","12.391","0.004","9.664","0.004","19.857","0.007","90","","107.03","0.005","90","","2273.5","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Br N4 O6 -","- C19 H21 Br N4 O6 -","- C76 H84 Br4 N16 O24 -","4","1","","Xia, Xuejian; Zhu, Qiongqiong; Wang, Jing; Chen, Jie; Cao, Weiguo; Zhu, Bo; Wu, Xiaoyu","Direct Asymmetric Vinylogous Mannich Addition of 3,5-Disubstituted-4-nitroisoxazoles to Isatin-Derived Imines Catalyzed by a Bifunctional Phase-Transfer-Catalyst.","The Journal of organic chemistry","2018","83","23","14617","14625","10.1021/acs.joc.8b02439","","","0.71073","MoKα","","0.0747","0.0388","","","0.0899","0.1025","","","","","","1.025","","","","has coordinates","227134","2020-10-21","18:00:00",""
"4035687","10.8985","0.0005","6.7166","0.0004","11.0406","0.0005","90","","90.531","0.003","90","","808.15","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Hirasawa, Shun; Mukai, Ken; Sakai, Shinnosuke; Wakamori, Shinnosuke; Hasegawa, Takahiro; Souma, Kazunori; Kanomata, Nobuhiro; Ogawa, Narihito; Aizawa, Mamoru; Emoto, Makoto","Elucidation of Racemization Process of Azaspirene Skeleton in Neutral Aqueous Media.","The Journal of organic chemistry","2018","83","23","14457","14464","10.1021/acs.joc.8b02223","","","1.54187","CuKα","","","0.0465","","","","0.1369","","","","","","1.232","","","","has coordinates","227135","2020-10-21","18:00:00",""
"4035688","11.0445","0.0003","5.4776","0.0001","15.3754","0.0005","90","","100.641","0.002","90","","914.18","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Szostak, Roman; Liu, Chengwei; Lalancette, Roger; Szostak, Michal","Twisted N-Acyl-hydantoins: Rotationally Inverted Urea-Imides of Relevance in N-C(O) Cross-coupling.","The Journal of organic chemistry","2018","83","23","14676","14682","10.1021/acs.joc.8b02691","","","1.54178","CuKα","","0.029","0.027","","","0.0671","0.0685","","","","","","1.063","","","","has coordinates","227136","2020-10-21","18:00:00",""
"4035689","9.7701","0.0019","5.8703","0.0011","20.14","0.004","90","","100.672","0.005","90","","1135.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Szostak, Roman; Liu, Chengwei; Lalancette, Roger; Szostak, Michal","Twisted N-Acyl-hydantoins: Rotationally Inverted Urea-Imides of Relevance in N-C(O) Cross-coupling.","The Journal of organic chemistry","2018","83","23","14676","14682","10.1021/acs.joc.8b02691","","","1.54178","CuKα","","0.0695","0.0532","","","0.1301","0.139","","","","","","1.043","","","","has coordinates","227137","2020-10-21","18:00:00",""
"4035690","7.3373","0.0007","10.0709","0.0008","17.0758","0.0016","90","","90","","90","","1261.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 F N O2 S -","- C12 H16 F N O2 S -","- C48 H64 F4 N4 O8 S4 -","4","1","","Huang, Wei; Yao, Yun; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Fluorination of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","23","14777","14785","10.1021/acs.joc.8b02375","","x-ray","0.71073","MoKα","","0.0399","0.0363","","","0.0783","0.0803","","","","","","1.013","","","","has coordinates","227138","2020-10-21","18:00:00",""
"4035691","5.751","0.0016","7.1296","0.0016","17.125","0.004","78.696","0.019","87.63","0.02","81.59","0.02","681.1","0.3","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F2 N O4 -","- C15 H13 F2 N O4 -","- C30 H26 F4 N2 O8 -","2","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","0.71073","MoKα","","0.0922","0.0553","","","0.1041","0.128","","","","","","1.034","","","","has coordinates","227139","2020-10-21","18:00:00",""
"4035692","5.7929","0.0011","10.1326","0.0013","13.119","0.003","92.577","0.013","94.129","0.016","93.294","0.013","765.8","0.2","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 F2 N O5 -","- C13 H19 F2 N O5 -","- C26 H38 F4 N2 O10 -","2","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","0.71073","MoKα","","0.063","0.0477","","","0.1078","0.1212","","","","","","1.042","","","","has coordinates","227140","2020-10-21","18:00:00",""
"4035693","12.1264","0.0007","12.1086","0.0004","13.6351","0.0009","90","","111.794","0.007","90","","1859","0.2","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 F2 N O5 -","- C19 H25 F2 N O5 -","- C76 H100 F8 N4 O20 -","4","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","0.71073","MoKα","","0.0657","0.0462","","","0.1022","0.1154","","","","","","1.061","","","","has coordinates","227141","2020-10-21","18:00:00",""
"4035694","17.5468","0.0008","10.6086","0.0005","16.1722","0.0007","90","","105.657","0.002","90","","2898.7","0.2","150","2","150.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 F4 O4 -","- C36 H30 F4 O4 -","- C144 H120 F16 O16 -","4","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","1.54178","CuKα","","0.0549","0.0505","","","0.1311","0.1352","","","","","","1.029","","","","has coordinates","227142","2020-10-21","18:00:00",""
"4035695","5.368","0.0006","8.8589","0.0009","15.7536","0.0014","74.167","0.008","81.776","0.009","84.811","0.009","712.28","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 F2 N O5 -","- C12 H17 F2 N O5 -","- C24 H34 F4 N2 O10 -","2","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","x-ray","1.54184","CuKα","","0.0921","0.076","","","0.2293","0.2588","","","","","","1.084","","","","has coordinates","227143","2020-10-21","18:00:00",""
"4035696","16.2255","0.0005","16.4626","0.0005","17.2473","0.0005","115.368","0.002","105.172","0.002","95.372","0.002","3904.2","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C84 H69 O15 P3 -","- C84 H69 O15 P3 -","- C168 H138 O30 P6 -","2","2","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","1.54178","CuKα","","0.1363","0.1032","","","0.2197","0.2423","","","","","","1.075","","","","has coordinates,has disorder","227144","2020-10-21","18:00:00",""
"4035697","11.5614","0.0005","12.8155","0.0006","16.0415","0.0007","87.862","0.003","76.7","0.003","79.546","0.003","2274.62","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H24 O2 -","- C31 H24 O2 -","- C124 H96 O8 -","4","2","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","1.54178","CuKα","","0.0982","0.0658","","","0.1722","0.1943","","","","","","1.048","","","","has coordinates","227145","2020-10-21","18:00:00",""
"4035698","14.7321","0.0005","14.9419","0.0005","15.1685","0.0005","62.715","0.001","61.024","0.001","84.505","0.001","2561.52","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H49 Cl3 O10 P2 -","- C59 H49 Cl3 O10 P2 -","- C118 H98 Cl6 O20 P4 -","2","1","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","1.54178","CuKα","","0.0462","0.0403","","","0.0964","0.1002","","","","","","1.029","","","","has coordinates,has disorder","227146","2020-10-21","18:00:00",""
"4035699","11.105","0.0008","11.4637","0.0008","11.6332","0.0008","68.869","0.003","68.313","0.003","64.712","0.003","1207.52","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C64 H52 O8 -","2","1","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","0.71073","MoKα","","0.056","0.0488","","","0.1371","0.1463","","","","","","1.023","","","","has coordinates","227147","2020-10-21","18:00:00",""
"4035700","25.3837","0.0015","23.3917","0.0009","19.2584","0.0016","90","","112.258","0.008","90","","10583","1.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H39 F5 N2 S2 -","- C51 H39 F5 N2 S2 -","- C408 H312 F40 N16 S16 -","8","1","","Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli","Dibenzidecaphyrins (1.0.0.1.1.1.0.0.1.1) and Their Bis-BF<sub>2</sub> Complexes.","The Journal of organic chemistry","2018","83","23","14277","14285","10.1021/acs.joc.8b01812","","","1.54184","CuKα","","0.1592","0.0947","","","0.2512","0.3119","","","","","","1.008","","","","has coordinates","227149","2020-10-21","18:00:00",""
"4035701","39.031","0.006","5.648","0.0009","23.048","0.004","90","","91.195","0.003","90","","5079.8","1.4","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","131129mis1","","","- C31 H26 N4 O7 -","- C31 H26 N4 O7 -","- C248 H208 N32 O56 -","8","1","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","0.71073","MoKα","","0.1604","0.1419","","","0.3482","0.3646","","","","","","1.49","","","","has coordinates","227150","2020-10-21","18:00:00",""
"4035702","9.4411","0.0005","13.9132","0.0007","20.7293","0.001","95.928","0.003","97.099","0.003","93.724","0.003","2679.2","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N4 O7 -","- C31 H26 N4 O7 -","- C124 H104 N16 O28 -","4","2","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","1.54178","CuKα","","0.0684","0.0533","","","0.1491","0.1608","","","","","","1.058","","","","has coordinates","227151","2020-10-21","18:00:00",""
"4035703","19.0264","0.0006","10.9646","0.0004","15.906","0.0004","90","","101.399","0.002","90","","3252.81","0.18","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1b","","","- C35 H34 N4 O7 -","- C33.476 H30.444 N4 O7 -","- C133.904 H121.776 N16 O28 -","4","1","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","1.54178","CuKα","","0.0759","0.0486","","","0.1243","0.1414","","","","","","1.031","","","","has coordinates,has disorder","227152","2020-10-21","18:00:00",""
"4035704","19.2513","0.0008","11.5028","0.0005","15.544","0.0007","90","","106.146","0.003","90","","3306.4","0.3","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 Cl N4 O7 -","- C37 H31 Cl N4 O7 -","- C148 H124 Cl4 N16 O28 -","4","1","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","1.54178","CuKα","","0.0755","0.0478","","","0.121","0.1352","","","","","","1.025","","","","has coordinates","227153","2020-10-21","18:00:00",""
"4035705","9.1003","0.0001","18.7035","0.0002","20.7543","0.0002","90","","90","","90","","3532.54","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C176 H128 O24 S8 -","8","1","","Sun, Kai; Chen, Xiao-Lan; Li, Shi-Jun; Wei, Dong-Hui; Liu, Xiao-Ceng; Zhang, Yin-Li; Liu, Yan; Fan, Lu-Lu; Qu, Ling-Bo; Yu, Bing; Li, Kai; Sun, Yuan-Qiang; Zhao, Yu-Fen","Copper-Catalyzed Radical Cascade Cyclization To Access 3-Sulfonated Indenones with the AIE Phenomenon.","The Journal of organic chemistry","2018","83","23","14419","14430","10.1021/acs.joc.8b02175","","x-ray","1.54184","CuKα","","0.0353","0.0329","","","0.0888","0.0904","","","","","","1.068","","","","has coordinates","227154","2020-10-21","18:00:00",""
"4035706","18.775","0.007","10.002","0.004","31.332","0.012","90","","90","","90","","5884","4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C272 H256 O48 -","16","2","","Zeng, Linwei; Lai, Zhencheng; Cui, Sunliang","One-Pot Reaction of Carboxylic Acids and Ynol Ethers for The Synthesis of β-Keto Esters.","The Journal of organic chemistry","2018","83","23","14834","14841","10.1021/acs.joc.8b02715","","","0.71073","MoKα","","0.3378","0.0896","","","0.2041","0.3219","","","","","","0.933","","","","has coordinates","227155","2020-10-21","18:00:00",""
"4035707","8.2785","0.0008","8.9957","0.0009","26.839","0.003","90","","90","","90","","1998.7","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Br N O3 Si -","- C20 H22 Br N O3 Si -","- C80 H88 Br4 N4 O12 Si4 -","4","1","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","NHC-Copper-Catalyzed Asymmetric Dearomative Silylation of Indoles.","The Journal of organic chemistry","2018","83","23","14758","14767","10.1021/acs.joc.8b02308","","","0.71073","MoKα","","0.0519","0.0305","","","0.0561","0.0658","","","","","","0.998","","","","has coordinates","227156","2020-10-21","18:00:00",""
"4035708","24.1507","0.0018","12.2214","0.0009","7.8434","0.0006","90","","90","","90","","2315","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H26 B F2 N3 -","- C29 H26 B F2 N3 -","- C116 H104 B4 F8 N12 -","4","1","","Mula, Soumyaditya; Leclerc, Nicolas; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles","Synthesis of Indolo[3,2- b]carbazole-Based Boron Complexes with Tunable Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2018","83","23","14406","14418","10.1021/acs.joc.8b01948","","","0.71075","MoKα","","0.0428","0.0383","","","0.0924","0.0966","","","","","","1.054","","","","has coordinates","227157","2020-10-21","18:00:00",""
"4035709","10.916","0.0011","14.1012","0.0014","16.5017","0.0017","90","","90","","90","","2540.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 F N2 O2 S -","- C31 H27 F N2 O2 S -","- C124 H108 F4 N8 O8 S4 -","4","1","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.113","0.0611","","","0.1069","0.1289","","","","","","1.065","","","","has coordinates","227158","2020-10-21","18:00:00",""
"4035710","9.7286","0.0005","17.3772","0.0008","17.4481","0.0008","101.616","0.001","90.589","0.001","102.62","0.001","2814.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H27 Br Cl N3 O4 S -","- C31.5 H27 Br Cl N3 O4 S -","- C126 H108 Br4 Cl4 N12 O16 S4 -","4","2","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.1192","0.0608","","","0.1271","0.1476","","","","","","1.018","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4035711","9.4268","0.0007","11.8262","0.0009","13.4376","0.001","106.439","0.002","106.993","0.002","94.519","0.002","1352.63","0.18","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N3 O4 S -","- C30 H31 N3 O4 S -","- C60 H62 N6 O8 S2 -","2","1","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.07","0.0471","","","0.1125","0.1263","","","","","","1.033","","","","has coordinates","227160","2020-10-21","18:00:00",""
"4035712","9.7941","0.0005","10.1973","0.0005","10.1976","0.0005","68.884","0.001","89.368","0.002","85.706","0.001","947.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 N4 O6 -","- C48 H40 N4 O6 -","- C48 H40 N4 O6 -","1","0.5","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.0564","0.042","","","0.0967","0.1043","","","","","","1.056","","","","has coordinates","227161","2020-10-21","18:00:00",""
"4035713","13.885","0.003","14.002","0.003","14.446","0.003","86.624","0.004","89.65","0.005","87.08","0.004","2800","1","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Br2 N4 O8 S4 -","- C24 H18 Br2 N4 O8 S4 -","- C96 H72 Br8 N16 O32 S16 -","4","2","","Ashida, Shiomi; Tanaka, Naoki; Ito, Yukiko; Matsuoka, Mitsuru; Hashimoto, Takayoshi; Okano, Kentaro; Miyazaki, Yuji; Kobayashi, Tohru; Yaita, Tsuyoshi; Mori, Atsunori","Nosyl (2-Nitrobenzenesulfonyl) Annulation Strategy toward Winding Vine-Shaped Bithiophenes.","The Journal of organic chemistry","2018","83","23","14797","14801","10.1021/acs.joc.8b02382","","","0.71075","MoKα","","","0.1166","","","","0.266","","","","","","1.19","","","","has coordinates","227162","2020-10-21","18:00:00",""
"4035714","7.7479","0.0006","25.908","0.002","10.202","0.0007","90","","103.259","0.002","90","","1993.3","0.3","120","","120","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","2,8-Bis(phenoxazin-10-yl)dibenzothiophene-S,S-dioxide, deuterochloroform trisolvate","","- C39 H22 Cl9 D3 N2 O4 S -","- C39 H22 Cl9 D3 N2 O4 S -","- C78 H44 Cl18 D6 N4 O8 S2 -","2","0.5","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Batsanov, Andrei S.; Santos, Jose; Dias, Fernando B.; Bryce, Martin R.","Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence.","The Journal of organic chemistry","2018","83","23","14431","14442","10.1021/acs.joc.8b02187","","x-ray","0.71073","MoKα","","0.0596","0.0466","","","0.1107","0.1195","","","","","","1.032","","","","has coordinates,has disorder","227163","2020-10-21","18:00:00",""
"4035715","10.4124","0.0005","12.8726","0.0006","12.8871","0.0006","113.293","0.0017","105.355","0.0018","103.086","0.0018","1418.97","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","2,8-Bis(1-methyl-phenoxazin-10-yl)dibenzothiophene-S,S-dioxide","","- C38 H26 N2 O4 S -","- C38 H26 N2 O4 S -","- C76 H52 N4 O8 S2 -","2","1","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Batsanov, Andrei S.; Santos, Jose; Dias, Fernando B.; Bryce, Martin R.","Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence.","The Journal of organic chemistry","2018","83","23","14431","14442","10.1021/acs.joc.8b02187","","x-ray","0.71073","MoKα","","0.0734","0.0466","","","0.1048","0.1154","","","","","","1.018","","","","has coordinates","227163","2020-10-21","18:00:00",""
"4035716","7.524","0.006","8.604","0.007","10.117","0.009","78.717","0.013","80.118","0.013","84.188","0.013","631.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F N4 O -","- C15 H11 F N4 O -","- C30 H22 F2 N8 O2 -","2","1","","Xu, Cheng; Jiang, Shi-Fen; Wu, Yan-Dong; Jia, Feng-Cheng; Wu, An-Xin","Copper-Catalyzed Multicomponent Domino Reaction of 2-Bromobenzaldehydes, Aryl Methyl Ketones, and Sodium Azide: Access to 1 H-[1,2,3]Triazolo[4,5- c]quinoline Derivatives.","The Journal of organic chemistry","2018","83","23","14802","14810","10.1021/acs.joc.8b02476","","","0.71073","MoKα","","0.0849","0.0534","","","0.1548","0.181","","","","","","0.996","","","","has coordinates","227164","2020-10-21","18:00:00",""
"4035717","8.062","0.0013","19.221","0.003","11.3185","0.0018","90","","101.069","0.003","90","","1721.3","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N4 O3 S -","- C18 H16 N4 O3 S -","- C72 H64 N16 O12 S4 -","4","1","","Xu, Cheng; Jiang, Shi-Fen; Wu, Yan-Dong; Jia, Feng-Cheng; Wu, An-Xin","Copper-Catalyzed Multicomponent Domino Reaction of 2-Bromobenzaldehydes, Aryl Methyl Ketones, and Sodium Azide: Access to 1 H-[1,2,3]Triazolo[4,5- c]quinoline Derivatives.","The Journal of organic chemistry","2018","83","23","14802","14810","10.1021/acs.joc.8b02476","","","0.71073","MoKα","","0.0962","0.0481","","","0.1331","0.1622","","","","","","1.005","","","","has coordinates,has disorder","227165","2020-10-21","18:00:00",""
"4035718","11.9046","0.0017","12.6632","0.0018","18.593","0.003","90","","90","","90","","2802.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O3 S -","- C30 H36 N2 O3 S -","- C120 H144 N8 O12 S4 -","4","1","","Shen, Xianfu; Zhao, Jingfeng; Xi, Yongkai; Chen, Wen; Zhou, Yongyun; Yang, Xiaodong; Zhang, Hongbin","Enantioselective Total Synthesis of (+)-Nocardioazine B.","The Journal of organic chemistry","2018","83","23","14507","14517","10.1021/acs.joc.8b02329","","","0.71073","MoKα","","0.0426","0.0345","","","0.082","0.0862","","","","","","1.024","","","","has coordinates","227166","2020-10-21","18:00:00",""
"4035719","7.5067","0.0019","12.18","0.003","16.789","0.004","82.413","0.003","77.103","0.003","75.947","0.003","1446.6","0.6","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N4 O4 S2 -","- C32 H24 N4 O4 S2 -","- C64 H48 N8 O8 S4 -","2","1","","Wen, Hao; Cao, Wei; Liu, Yu; Wang, Liang; Chen, Ping; Tang, Yu","Metal-Free [2 + 2 + 2] Cycloaddition of Ynamide-Nitriles with Ynamides: A Highly Regio- and Chemoselective Synthesis of δ-Carboline Derivatives.","The Journal of organic chemistry","2018","83","21","13308","13324","10.1021/acs.joc.8b02112","","","0.71073","MoKα","","0.0707","0.0449","","","0.0983","0.1101","","","","","","1.005","","","","has coordinates","227167","2020-10-21","18:00:00",""
"4035720","10.0296","0.0018","13.277","0.002","14.687","0.003","64.959","0.002","81.93","0.002","89.212","0.002","1752.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C84 H80 N8 O4 -","4","2","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Selective Synthesis of Aminoisoquinolines via Rh(III)-Catalyzed C-H/N-H Bond Functionalization of N-Aryl Amidines with Cyclic 2-Diazo-1,3-diketones.","The Journal of organic chemistry","2018","83","21","13463","13472","10.1021/acs.joc.8b02286","","","0.71073","MoKα","","0.1027","0.059","","","0.1519","0.1812","","","","","","1.023","","","","has coordinates","227168","2020-10-21","18:00:00",""
"4035721","14.1476","0.0004","8.5323","0.0003","16.5469","0.0005","90","","105.099","0.0011","90","","1928.45","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","Brišar, Rok; Unglaube, Felix; Hollmann, Dirk; Jiao, Haijun; Mejía, Esteban","Aerobic Oxidative Homo- and Cross-Coupling of Amines Catalyzed by Phenazine Radical Cations.","The Journal of organic chemistry","2018","83","21","13481","13490","10.1021/acs.joc.8b02345","","","0.71073","MoKα","","0.0509","0.0451","","","0.1251","0.1324","","","","","","1.05","","","","has coordinates","227169","2020-10-21","18:00:00",""
"4035722","8.9486","0.0004","20.9444","0.0009","9.7258","0.0004","90","","108.262","0.0015","90","","1731.03","0.13","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","1","","Brišar, Rok; Unglaube, Felix; Hollmann, Dirk; Jiao, Haijun; Mejía, Esteban","Aerobic Oxidative Homo- and Cross-Coupling of Amines Catalyzed by Phenazine Radical Cations.","The Journal of organic chemistry","2018","83","21","13481","13490","10.1021/acs.joc.8b02345","","","0.71073","MoKα","","0.052","0.0406","","","0.1097","0.1195","","","","","","1.044","","","","has coordinates","227170","2020-10-21","18:00:00",""
"4035723","12.8096","0.0009","9.378","0.0007","17.6402","0.0012","90","","104.625","0.002","90","","2050.4","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 F6 N2 -","- C26 H16 F6 N2 -","- C104 H64 F24 N8 -","4","0.5","","Brišar, Rok; Unglaube, Felix; Hollmann, Dirk; Jiao, Haijun; Mejía, Esteban","Aerobic Oxidative Homo- and Cross-Coupling of Amines Catalyzed by Phenazine Radical Cations.","The Journal of organic chemistry","2018","83","21","13481","13490","10.1021/acs.joc.8b02345","","","0.71073","MoKα","","0.0514","0.0469","","","0.131","0.1368","","","","","","1.028","","","","has coordinates","227171","2020-10-21","18:00:00",""
"4035724","13.4563","0.0003","11.6667","0.0002","9.5707","0.0002","90","","108.431","0.002","90","","1425.44","0.05","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Ahmad, Tanveer; Qiu, Sheng-Qi; Xu, Yun-He; Loh, Teck-Peng","Palladium-Catalyzed One-Pot Highly Regioselective 6- Endo Cyclization and Alkylation of Enynoates: Synthesis of 2-Alkanone Pyrones.","The Journal of organic chemistry","2018","83","21","13414","13426","10.1021/acs.joc.8b02198","","","1.54184","CuKα","","0.0494","0.0424","","","0.1194","0.1257","","","","","","1.068","","","","has coordinates","227172","2020-10-21","18:00:00",""
"4035725","9.66","0.003","9.728","0.002","10.133","0.002","114.581","0.012","115.678","0.013","92.034","0.015","752.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","vbchem314_0m_a","","","- C16 H13 F3 N2 O2 -","- C16 H13 F3 N2 O2 -","- C32 H26 F6 N4 O4 -","2","1","","Ghosh, Payel; Mondal, Susmita; Hajra, Alakananda","Metal-Free Trifluoromethylation of Indazoles.","The Journal of organic chemistry","2018","83","21","13618","13623","10.1021/acs.joc.8b02312","","","0.71073","MoKα","","0.1169","0.0703","","","0.1868","0.2451","","","","","","1.096","","","","has coordinates","227173","2020-10-21","18:00:00",""
"4035726","10.3382","0.0004","15.8744","0.0006","30.8331","0.0012","90","","96.297","0.001","90","","5029.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 B N2 O2 -","- C32 H23 B N2 O2 -","- C256 H184 B8 N16 O16 -","8","2","","Qiu, Feng; Zhang, Ning; Tang, Ruizhi; Zhou, Mingan; Wang, Yao; Wei, Weiwei; Bi, Shuai; Han, Sheng; Zhang, Fan","Asymmetric Boron-Cored Aggregation-Induced Emission Luminogen with Multiple Functions Synthesized through Stepwise Conversion from a Symmetric Ligand.","The Journal of organic chemistry","2018","83","21","12977","12984","10.1021/acs.joc.8b01340","","","0.71073","MoKα","","0.1541","0.0602","","","0.1368","0.1883","","","","","","1.001","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4035727","6.148","0.0003","9.3553","0.0007","21.4639","0.0014","97.508","0.006","91.047","0.005","93.474","0.005","1221.26","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Br N2 O6 -","- C27 H25 Br N2 O6 -","- C54 H50 Br2 N4 O12 -","2","1","","Zhang, Xiaofeng; Qiu, Weiqi; Ma, Xiaoming; Evans, Jason; Kaur, Manpreet; Jasinski, Jerry P.; Zhang, Wei","One-Pot Double [3 + 2] Cycloadditions for Diastereoselective Synthesis of Pyrrolidine-Based Polycyclic Systems.","The Journal of organic chemistry","2018","83","21","13536","13542","10.1021/acs.joc.8b02046","","x-ray","1.54184","CuKα","","0.0544","0.0437","","","0.111","0.1208","","","","","","1.037","","","","has coordinates","227175","2020-10-21","18:00:00",""
"4035728","14.6471","0.0003","9.827","0.0002","19.3981","0.0003","90","","104.564","0.002","90","","2702.39","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Br N2 O7 -","- C29 H29 Br N2 O7 -","- C116 H116 Br4 N8 O28 -","4","1","","Zhang, Xiaofeng; Qiu, Weiqi; Ma, Xiaoming; Evans, Jason; Kaur, Manpreet; Jasinski, Jerry P.; Zhang, Wei","One-Pot Double [3 + 2] Cycloadditions for Diastereoselective Synthesis of Pyrrolidine-Based Polycyclic Systems.","The Journal of organic chemistry","2018","83","21","13536","13542","10.1021/acs.joc.8b02046","","x-ray","1.54184","CuKα","","0.049","0.0404","","","0.1029","0.1098","","","","","","1.032","","","","has coordinates","227176","2020-10-21","18:00:00",""
"4035729","12.033","0.001","6.0968","0.0004","19.8777","0.0015","90","","100.626","0.006","90","","1433.28","0.19","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0945","0.0636","","","0.1545","0.1771","","","","","","0.964","","","","has coordinates","227177","2020-10-21","18:00:00",""
"4035730","7.852","0.0009","8.2413","0.001","9.9554","0.001","105.429","0.009","98.805","0.009","111.433","0.009","555.12","0.13","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C26 H16 Cl2 N6 O2 -","2","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0998","0.0519","","","0.128","0.1505","","","","","","0.866","","","","has coordinates","227178","2020-10-21","18:00:00",""
"4035731","6.077","0.0012","5.3497","0.0011","18.327","0.004","90","","91.47","0.03","90","","595.6","0.2","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 N3 O3 -","- C14 H9 N3 O3 -","- C28 H18 N6 O6 -","2","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.1167","0.0628","","","0.1516","0.1871","","","","","","1.01","","","","has coordinates","227179","2020-10-21","18:00:00",""
"4035732","9.6161","0.0019","9.1313","0.0018","12.11","0.002","90","","98.97","0.03","90","","1050.3","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl N2 O2 -","- C11 H9 Cl N2 O2 -","- C44 H36 Cl4 N8 O8 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.1312","0.0508","","","0.1124","0.1508","","","","","","1.005","","","","has coordinates","227180","2020-10-21","18:00:00",""
"4035733","6.565","0.0006","7.459","0.0007","12.7782","0.0013","76.752","0.008","85.465","0.007","84.582","0.007","605.29","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H5 F5 N2 O -","- C14 H5 F5 N2 O -","- C28 H10 F10 N4 O2 -","2","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0958","0.0611","","","0.1411","0.1564","","","","","","1.105","","","","has coordinates","227181","2020-10-21","18:00:00",""
"4035734","15.118","0.0013","4.9468","0.0003","19.2855","0.0016","90","","104.553","0.007","90","","1396.01","0.19","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0942","0.0451","","","0.1007","0.1189","","","","","","0.912","","","","has coordinates","227182","2020-10-21","18:00:00",""
"4035735","6.578","0.0013","7.3496","0.0015","19.89","0.004","96.85","0.03","97.83","0.03","99.42","0.03","929.9","0.4","170","2","170","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C44 H46 Cl2 N4 O4 -","2","2","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.1432","0.0621","","","0.1313","0.1688","","","","","","0.932","","","","has coordinates","227183","2020-10-21","18:00:00",""
"4035736","5.301","0.0004","9.2387","0.0005","24.657","0.002","90","","90.116","0.006","90","","1207.56","0.15","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0603","0.042","","","0.11","0.1258","","","","","","1.033","","","","has coordinates","227184","2020-10-21","18:00:00",""
"4035737","12.1285","0.0009","12.3249","0.0011","10.0239","0.0008","90","","108.372","0.004","90","","1422","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.0765","0.0404","","","0.0747","0.0862","","","","","","0.988","","","","has coordinates","227185","2020-10-21","18:00:00",""
"4035738","13.7083","0.0011","12.3985","0.0009","9.9543","0.0009","90","","106.045","0.004","90","","1625.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br Cl N O2 -","- C16 H13 Br Cl N O2 -","- C64 H52 Br4 Cl4 N4 O8 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.2673","0.0573","","","0.1208","0.186","","","","","","0.888","","","","has coordinates","227186","2020-10-21","18:00:00",""
"4035739","9.164","0.002","10.361","0.003","10.743","0.003","72.38","0.003","79.695","0.003","89.502","0.003","955.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cl N2 O4 -","- C22 H17 Cl N2 O4 -","- C44 H34 Cl2 N4 O8 -","2","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.0593","0.0433","","","0.0925","0.1","","","","","","0.933","","","","has coordinates","227187","2020-10-21","18:00:00",""
"4035740","12.1146","0.0016","12.3208","0.0018","10.0165","0.0011","90","","108.32","0.006","90","","1419.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.089","0.0496","","","0.0848","0.097","","","","","","0.953","","","","has coordinates","227188","2020-10-21","18:00:00",""
"4035741","9.868","0.003","12.526","0.003","24.997","0.007","90","","97.218","0.003","90","","3065.3","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 N O2 -","- C16 H13 Cl2 N O2 -","- C128 H104 Cl16 N8 O16 -","8","2","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.0693","0.0443","","","0.0956","0.1054","","","","","","1.009","","","","has coordinates","227189","2020-10-21","18:00:00",""
"4035742","5.445","0.01","19.36","0.03","20.96","0.04","90","","92.27","0.03","90","","2208","7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O5 S -","- C24 H22 N2 O5 S -","- C96 H88 N8 O20 S4 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.2407","0.0739","","","0.1778","0.2603","","","","","","0.945","","","","has coordinates","227190","2020-10-21","18:00:00",""
"4035743","10.0281","0.0003","13.8303","0.0003","14.9525","0.0003","90","","90","","90","","2073.79","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O5 -","- C23 H34 O5 -","- C92 H136 O20 -","4","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","1.54184","CuKα","","0.0586","0.046","","","0.1059","0.1164","","","","","","1.018","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035744","32.892","0.003","10.8432","0.0006","12.7644","0.0007","90","","100.51","0.008","90","","4476.1","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 O5 -","- C26 H36 O5 -","- C208 H288 O40 -","8","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0544","0.0419","","","0.1026","0.1115","","","","","","1.04","","","","has coordinates,has disorder","227191","2020-10-21","18:00:00",""
"4035745","8.8319","0.0004","10.1843","0.0005","12.079","0.0006","94.713","0.004","102.968","0.004","114.675","0.005","942.92","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C42 H56 O10 -","2","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","1.54184","CuKα","","0.0572","0.0431","","","0.1079","0.1192","","","","","","1.025","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035746","11.7913","0.0008","12.8318","0.0008","14.313","0.0004","84.236","0.003","83.69","0.004","64.991","0.006","1947.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 Br O4 -","- C21 H27 Br O4 -","- C84 H108 Br4 O16 -","4","2","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0736","0.035","","","0.0713","0.076","","","","","","0.853","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035747","11.9049","0.0008","13.0663","0.0007","14.3669","0.0006","82.833","0.004","82.432","0.004","65.736","0.006","2013.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 I O4 -","- C21 H27 I O4 -","- C84 H108 I4 O16 -","4","2","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0607","0.0432","","","0.0921","0.1035","","","","","","1.065","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035748","16.6717","0.0011","10.9343","0.0005","13.0037","0.0008","90","","102.86","0.007","90","","2311","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Br O4 -","- C26 H35 Br O4 -","- C104 H140 Br4 O16 -","4","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0846","0.0582","","","0.1459","0.1635","","","","","","1.029","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035749","12.0848","0.0005","12.2104","0.0005","18.6095","0.0008","100.616","0.003","91.338","0.003","117.941","0.004","2365.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H35 I O4 -","- C26 H35 I O4 -","- C104 H140 I4 O16 -","4","2","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0591","0.0417","","","0.0837","0.0921","","","","","","1.038","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035750","11.1181","0.0007","12.8001","0.0006","13.9682","0.0007","90","","110.718","0.007","90","","1859.3","0.19","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0721","0.046","","","0.0929","0.1055","","","","","","1.043","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035751","12.9743","0.0011","5.0822","0.0005","23.572","0.002","90","","95.159","0.001","90","","1548","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F I O2 -","- C18 H12 F I O2 -","- C72 H48 F4 I4 O8 -","4","1","","Li, Heng; Zhou, Peng; Xie, Feng; Hu, Jian-Qiang; Yang, Shi-Zhao; Wang, You-Jian; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","I<sub>2</sub>-Mediated Iodobenzannulation of Yne-Allenones toward 1-Naphthols and Their Synthetic Application.","The Journal of organic chemistry","2018","83","21","13335","13343","10.1021/acs.joc.8b02108","","","0.71073","MoKα","","0.1171","0.0855","","","0.1696","0.1795","","","","","","1.102","","","","has coordinates","227192","2020-10-21","18:00:00",""
"4035752","12.5461","0.0011","8.815","0.0008","20.0989","0.0017","90","","117.602","0.004","90","","1969.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Li, Heng; Zhou, Peng; Xie, Feng; Hu, Jian-Qiang; Yang, Shi-Zhao; Wang, You-Jian; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","I<sub>2</sub>-Mediated Iodobenzannulation of Yne-Allenones toward 1-Naphthols and Their Synthetic Application.","The Journal of organic chemistry","2018","83","21","13335","13343","10.1021/acs.joc.8b02108","","","0.71073","MoKα","","0.1831","0.061","","","0.0917","0.1126","","","","","","0.92","","","","has coordinates","227193","2020-10-21","18:00:00",""
"4035753","8.2852","0.0004","9.7366","0.0005","16.1667","0.0009","73.664","0.005","78.191","0.004","74.714","0.004","1195.18","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N3 O7.1 -","- C25 H31 N3 O7.1 -","- C50 H62 N6 O14.2 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0424","0.0338","","","0.0971","0.0998","","","","","","1.16","","","","has coordinates,has disorder","227194","2020-10-21","18:00:00",""
"4035754","15.4069","0.0005","8.8605","0.0003","21.2971","0.0006","90","","108.059","0.003","90","","2764.11","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 N2 O9 -","- C29 H34 N2 O9 -","- C116 H136 N8 O36 -","4","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0573","0.043","","","0.1216","0.1382","","","","","","1.109","","","","has coordinates","227195","2020-10-21","18:00:00",""
"4035755","10.0889","0.0003","10.3082","0.0004","13.8457","0.0005","98.23","0.003","100.885","0.003","102.672","0.003","1353.74","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cl2 N2 O8 -","- C28 H28 Cl2 N2 O8 -","- C56 H56 Cl4 N4 O16 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0403","0.033","","","0.0986","0.11","","","","","","1.094","","","","has coordinates","227196","2020-10-21","18:00:00",""
"4035756","10.343","0.0003","10.3673","0.0003","14.2508","0.0004","101.735","0.003","98.35","0.003","104.31","0.002","1418.63","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 Cl2 N3 O7 -","- C29 H31 Cl2 N3 O7 -","- C58 H62 Cl4 N6 O14 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0418","0.0366","","","0.0997","0.1049","","","","","","1.102","","","","has coordinates","227197","2020-10-21","18:00:00",""
"4035757","10.881","0.004","11.034","0.004","11.452","0.008","74.96","0.04","66.73","0.05","79.25","0.03","1214.3","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N2 O8 -","- C25.002 H25 N2 O8.002 -","- C50.004 H50 N4 O16.004 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.104","0.0476","","","0.1307","0.1439","","","","","","0.817","","","","has coordinates,has disorder","227198","2020-10-21","18:00:00",""
"4035758","5.383","0.005","11.95","0.012","19.616","0.019","89.964","0.013","89.969","0.014","85.193","0.012","1257","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N2 O7 -","- C11 H10 N2 O7 -","- C44 H40 N8 O28 -","4","2","","Islam, Abu Saleh Musha; Bhowmick, Rahul; Chandra Garain, Bidhan; Katarkar, Atul; Ali, Mahammad","Nitric Oxide Sensing through 1,2,3,4-Oxatriazole Formation from Acylhydrazide: A Kinetic Study.","The Journal of organic chemistry","2018","83","21","13287","13295","10.1021/acs.joc.8b02110","","","0.71073","MoKα","","0.3408","0.1113","","","0.2123","0.3119","","","","","","1.021","","","","has coordinates","227199","2020-10-21","18:00:00",""
"4035759","12.5876","0.0002","22.9066","0.0004","24.9791","0.0004","106.21","0.0014","90.5433","0.0013","95.2728","0.0013","6882.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C145.6 H196.4 Cl2 F5.2 N16 -","- C145.6 H196.4 Cl2 F5.2 N16 -","- C291.2 H392.8 Cl4 F10.4 N32 -","2","1","","Molina-Muriel, Ricardo; Aragay, Gemma; Escudero-Adán, Eduardo C; Ballester, Pablo","Switching from Negative-Cooperativity to No-Cooperativity in the Binding of Ion-Pair Dimers by a Bis(calix[4]pyrrole) Macrocycle.","The Journal of organic chemistry","2018","83","21","13507","13514","10.1021/acs.joc.8b02449","","","0.7107","MoKα","","0.1522","0.1046","","","0.3132","0.3467","","","","","","1.412","","","","has coordinates,has disorder","227200","2020-10-21","18:00:00",""
"4035760","11.409","0.0005","44.6389","0.0019","21.1247","0.0008","90","","101.254","0.004","90","","10551.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C115 H152 Cl2 F N16 -","- C115 H152 Cl2 F N16 -","- C460 H608 Cl8 F4 N64 -","4","1","","Molina-Muriel, Ricardo; Aragay, Gemma; Escudero-Adán, Eduardo C; Ballester, Pablo","Switching from Negative-Cooperativity to No-Cooperativity in the Binding of Ion-Pair Dimers by a Bis(calix[4]pyrrole) Macrocycle.","The Journal of organic chemistry","2018","83","21","13507","13514","10.1021/acs.joc.8b02449","","","0.7107","MoKα","","0.1922","0.0882","","","0.2054","0.2397","","","","","","1.207","","","","has coordinates,has disorder","227201","2020-10-21","18:00:00",""
"4035761","14.4582","0.0006","7.4973","0.0003","23.2194","0.0007","90","","128.512","0.002","90","","1969.44","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O7 -","- C22 H21 N O7 -","- C88 H84 N4 O28 -","4","1","","Yao, Tuanli; Guo, Zhen; Liang, Xiujuan; Qi, Lihan","Regio- and Stereoselective Electrophilic Cyclization Approach for the Protecting-Group-Free Synthesis of Alkaloids Lennoxamine, Chilenine, Fumaridine, 8-Oxypseudoplamatine, and 2- O-(Methyloxy)fagaronine.","The Journal of organic chemistry","2018","83","21","13370","13380","10.1021/acs.joc.8b02154","","","0.71073","MoKα","","0.2153","0.0661","","","0.1024","0.1411","","","","","","0.897","","","","has coordinates","227202","2020-10-21","18:00:00",""
"4035762","8.3905","0.0004","19.0515","0.0006","8.2699","0.0004","90","","116.65","0.006","90","","1181.52","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","","Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Smetanin, Ilia A.; Starova, Galina L.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 2-(Di/tri/tetraazolyl)-2 H-azirine-2-carboxylates by Halogen Substitution: Evidence for an S<sub>N</sub>2'-S<sub>N</sub>2' Cascade Mechanism.","The Journal of organic chemistry","2018","83","21","13473","13480","10.1021/acs.joc.8b02295","","x-ray","1.54184","CuKα","","0.0395","0.0357","","","0.0945","0.0987","","","","","","1.043","","","","has coordinates","227203","2020-10-21","18:00:00",""
"4035763","12.6636","0.0002","12.667","0.0002","17.6579","0.0003","90","","109.067","0.002","90","","2677.1","0.08","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N6 O3 -","- C31 H28 N6 O3 -","- C124 H112 N24 O12 -","4","1","","Li, Lingjun; Huang, Shenlong; Shang, Tongpeng; Zhang, Bo; Guo, Yuanyang; Zhu, Gongming; Zhou, Demin; Zhang, Guisheng; Zhu, Anlian; Zhang, Lihe","Medium Rings Bearing Bitriazolyls: Easily Accessible Structures with Superior Performance as Cu Catalyst Ligands.","The Journal of organic chemistry","2018","83","21","13166","13177","10.1021/acs.joc.8b01899","","x-ray","1.54184","CuKα","","0.0841","0.0562","","","0.1742","0.1789","","","","","","1.331","","","","has coordinates","227204","2020-10-21","18:00:00",""
"4035764","8.2396","0.0002","11.5901","0.0005","12.2867","0.0006","107.523","0.004","104.775","0.003","90.14","0.003","1077.91","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N6 O2 -","- C23 H24 N6 O2 -","- C46 H48 N12 O4 -","2","1","","Li, Lingjun; Huang, Shenlong; Shang, Tongpeng; Zhang, Bo; Guo, Yuanyang; Zhu, Gongming; Zhou, Demin; Zhang, Guisheng; Zhu, Anlian; Zhang, Lihe","Medium Rings Bearing Bitriazolyls: Easily Accessible Structures with Superior Performance as Cu Catalyst Ligands.","The Journal of organic chemistry","2018","83","21","13166","13177","10.1021/acs.joc.8b01899","","x-ray","1.54184","CuKα","","0.0738","0.0549","","","0.1661","0.174","","","","","","1.178","","","","has coordinates","227205","2020-10-21","18:00:00",""
"4035765","26.219","0.005","5.8096","0.0011","14.123","0.003","90","","105.602","0.005","90","","2072","0.7","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C88 H96 O40 -","8","2","","Vil', Vera A.; Gomes, Gabriel Dos Passos; Ekimova, Maria V.; Lyssenko, Konstantin A.; Syroeshkin, Mikhail A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Five Roads That Converge at the Cyclic Peroxy-Criegee Intermediates: BF<sub>3</sub>-Catalyzed Synthesis of β-Hydroperoxy-β-peroxylactones.","The Journal of organic chemistry","2018","83","21","13427","13445","10.1021/acs.joc.8b02218","","","0.71073","MoKα","","0.0658","0.0539","","","0.1312","0.1396","","","","","","1.023","","","","has coordinates","227206","2020-10-21","18:00:00",""
"4035766","28.22","0.004","5.8112","0.0007","14.3654","0.0018","90","","104.727","0.003","90","","2278.4","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl O5 -","- C11 H11 Cl O5 -","- C88 H88 Cl8 O40 -","8","2","","Vil', Vera A.; Gomes, Gabriel Dos Passos; Ekimova, Maria V.; Lyssenko, Konstantin A.; Syroeshkin, Mikhail A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Five Roads That Converge at the Cyclic Peroxy-Criegee Intermediates: BF<sub>3</sub>-Catalyzed Synthesis of β-Hydroperoxy-β-peroxylactones.","The Journal of organic chemistry","2018","83","21","13427","13445","10.1021/acs.joc.8b02218","","","0.71073","MoKα","","0.0788","0.0703","","","0.1824","0.1896","","","","","","1.122","","","","has coordinates,has disorder","227207","2020-10-21","18:00:00",""
"4035767","10.689","0.005","11.005","0.005","22.45","0.01","90","","90","","90","","2641","2","296","1","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N O8 -","- C26 H35 N O8 -","- C104 H140 N4 O32 -","4","1","","Vlahoviček-Kahlina, Kristina; Vazdar, Mario; Jakas, Andreja; Smrečki, Vilko; Jerić, Ivanka","Synthesis of Glycomimetics by Diastereoselective Passerini Reaction.","The Journal of organic chemistry","2018","83","21","13146","13156","10.1021/acs.joc.8b01874","","x-ray","1.54179","CuKα","","0.0699","0.0642","","","0.1701","0.1806","","","","","","0.998","","","","has coordinates","227208","2020-10-21","18:00:00",""
"4035768","6.4115","0.0017","8.767","0.002","14.597","0.004","78.988","0.003","83.727","0.003","86.868","0.003","800.1","0.4","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H17 N3 -","- C21 H17 N3 -","- C42 H34 N6 -","2","1","","Banerji, Biswadip; Chatterjee, Satadru; Chandrasekhar, Kadaiahgari; Ghosh, Saswati; Mukherjee, Kaustuv; Mandal, Chitra","Detection of Lysosome by a Fluorescent Heterocycle: Development of Fused Pyrido-Imidazo-Indole Framework via Cu-Catalyzed Tandem N-Arylation.","The Journal of organic chemistry","2018","83","21","13011","13018","10.1021/acs.joc.8b01513","","","0.71073","MoKα","","0.0948","0.0614","","","0.1521","0.182","","","","","","1.04","","","","has coordinates","227209","2020-10-21","18:00:00",""
"4035769","7.64","0.003","8.93","0.004","11.458","0.005","72.751","0.004","75.543","0.005","79.079","0.005","717.3","0.5","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H12 N4 -","- C19 H12 N4 -","- C38 H24 N8 -","2","1","","Banerji, Biswadip; Chatterjee, Satadru; Chandrasekhar, Kadaiahgari; Ghosh, Saswati; Mukherjee, Kaustuv; Mandal, Chitra","Detection of Lysosome by a Fluorescent Heterocycle: Development of Fused Pyrido-Imidazo-Indole Framework via Cu-Catalyzed Tandem N-Arylation.","The Journal of organic chemistry","2018","83","21","13011","13018","10.1021/acs.joc.8b01513","","","0.71073","MoKα","","0.0767","0.0588","","","0.1583","0.1796","","","","","","1.026","","","","has coordinates","227210","2020-10-21","18:00:00",""
"4035770","17.4965","0.0008","8.3662","0.0003","24.4494","0.0012","90","","112.004","0.006","90","","3318.2","0.3","290.04","0.1","290.04","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Cl F2 N2 O3 -","- C15 H15 Cl F2 N2 O3 -","- C120 H120 Cl8 F16 N16 O24 -","8","1","","Ma, Jun-Wei; Wang, Qiang; Wang, Xin-Gang; Liang, Yong-Min","Palladium-Catalyzed Cascade Difluoroalkylation/Cyclization of N-Propargylamides: Synthesis of Oxazoles and Oxazolines.","The Journal of organic chemistry","2018","83","21","13296","13307","10.1021/acs.joc.8b02111","","x-ray","0.71073","MoKα","","0.073","0.0472","","","0.1023","0.1219","","","","","","1.062","","","","has coordinates","227211","2020-10-21","18:00:00",""
"4035771","6.1733","0.0005","8.5095","0.001","14.0773","0.0018","92.458","0.01","99.125","0.009","104.26","0.009","705.05","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Cl F2 N2 O3 -","- C13 H11 Cl F2 N2 O3 -","- C26 H22 Cl2 F4 N4 O6 -","2","1","","Ma, Jun-Wei; Wang, Qiang; Wang, Xin-Gang; Liang, Yong-Min","Palladium-Catalyzed Cascade Difluoroalkylation/Cyclization of N-Propargylamides: Synthesis of Oxazoles and Oxazolines.","The Journal of organic chemistry","2018","83","21","13296","13307","10.1021/acs.joc.8b02111","","","1.54184","CuKα","","0.1006","0.0934","","","0.2842","0.315","","","","","","1.292","","","","has coordinates","227212","2020-10-21","18:00:00",""
"4035772","8.3559","0.0007","23.62","0.002","12.4025","0.001","90","","100.823","0.004","90","","2404.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","vbchem255_a","","- C27 H20 F N O5 S2 -","- C27 H20 F N O5 S2 -","- C108 H80 F4 N4 O20 S8 -","4","1","","Samanta, Sadhanendu; Hajra, Alakananda","Divergent Synthesis of Allenylsulfonamide and Enaminonesulfonamide via In(III)-Catalyzed Couplings of Propargylamine and N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2018","83","21","13157","13165","10.1021/acs.joc.8b01882","","","0.71073","MoKα","","0.0978","0.0734","","","0.1931","0.2133","","","","","","1.406","","","","has coordinates","227213","2020-10-21","18:00:00",""
"4035773","8.993","0.007","15.405","0.012","19.491","0.015","104.505","0.008","90.034","0.009","90.131","0.008","2614","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","vbchem288_a","","","- C28 H23 N O4 S2 -","- C28 H23 N O4 S2 -","- C112 H92 N4 O16 S8 -","4","2","","Samanta, Sadhanendu; Hajra, Alakananda","Divergent Synthesis of Allenylsulfonamide and Enaminonesulfonamide via In(III)-Catalyzed Couplings of Propargylamine and N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2018","83","21","13157","13165","10.1021/acs.joc.8b01882","","","0.71073","MoKα","","0.136","0.0898","","","0.2277","0.2557","","","","","","1.428","","","","has coordinates","227214","2020-10-21","18:00:00",""
"4035774","28.5703","0.001","28.5703","0.001","9.311","0.0004","90","","90","","120","","6582","0.4","293","2","293.15","","","","","","","","","4","P 64","P 64","172","","","","- C43 H53 N O8 -","- C43 H53 N O8 -","- C258 H318 N6 O48 -","6","1","","Song, Tengfei; Chen, Mengxuan; Ge, Zhi-Wei; Chai, Weiyun; Li, Xing-Cong; Zhang, Zhizhen; Lian, Xiao-Yuan","Bioactive Penicipyrrodiether A, an Adduct of GKK1032 Analogue and Phenol A Derivative, from a Marine-Sourced Fungus Penicillium sp. ZZ380.","The Journal of organic chemistry","2018","83","21","13395","13401","10.1021/acs.joc.8b02172","","","1.54184","CuKα","","0.0935","0.0792","","","0.2187","0.238","","","","","","1.097","","","","has coordinates","227215","2020-10-21","18:00:00",""
"4035775","6.5496","0.0004","10.8428","0.0006","27.6666","0.0015","90","","90","","90","","1964.77","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LMC-04-038","LMC-04-038","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","1","","Chapman, Lauren M.; Beck, Jordan C.; Lacker, Caitlin R.; Wu, Linglin; Reisman, Sarah E.","Evolution of a Strategy for the Enantioselective Total Synthesis of (+)-Psiguadial B.","The Journal of organic chemistry","2018","83","11","6066","6085","10.1021/acs.joc.8b00728","","","1.54178","CuKα","","0.03","0.0272","","","0.0655","0.0672","","","","","","1.021","","","","has coordinates","227216","2020-10-21","18:00:00",""
"4035776","5.2551","0.0006","8.3833","0.0008","15.9413","0.0016","80.053","0.008","84.296","0.009","86.691","0.009","687.72","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Wu, Feifei; Zhang, Min; Zhou, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Copper(I)-Catalyzed N-O Bond Formation through Vinyl Nitrene Mediated Pathway under Mild Conditions.","The Journal of organic chemistry","2018","83","11","5999","6005","10.1021/acs.joc.8b00605","","","0.71073","MoKα","","0.0684","0.0498","","","0.1236","0.1412","","","","","","1.017","","","","has coordinates","227217","2020-10-21","18:00:00",""
"4035777","5.3098","0.0005","15.9656","0.0013","19.7582","0.0019","113.815","0.009","93.449","0.008","93.537","0.007","1522.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","2","","Wu, Feifei; Zhang, Min; Zhou, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Copper(I)-Catalyzed N-O Bond Formation through Vinyl Nitrene Mediated Pathway under Mild Conditions.","The Journal of organic chemistry","2018","83","11","5999","6005","10.1021/acs.joc.8b00605","","","0.71073","MoKα","","0.0983","0.0608","","","0.1517","0.1893","","","","","","1.023","","","","has coordinates","227218","2020-10-21","18:00:00",""
"4035778","10.578","0.004","10.734","0.004","12.077","0.005","90.378","0.007","104.548","0.007","109.881","0.007","1241.8","0.8","298","2","298.15","","","","","","","","","5","P 1","P 1","1","","","","- C27 H30 N2 O4 S -","- C27 H30 N2 O4 S -","- C54 H60 N4 O8 S2 -","2","2","","Mason, Jeremy D.; Weinreb, Steven M.","Synthesis of Alstoscholarisines A-E, Monoterpene Indole Alkaloids with Modulating Effects on Neural Stem Cells.","The Journal of organic chemistry","2018","83","11","5877","5896","10.1021/acs.joc.8b00889","","","0.71073","MoKα","","0.1023","0.0744","","","0.1872","0.209","","","","","","1.03","","","","has coordinates","227219","2020-10-21","18:00:00",""
"4035779","13.6366","0.0008","24.0463","0.0011","36.97","0.002","90","","90","","90","","12122.8","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C656 H512 N32 O16 -","16","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1129","0.059","","","0.1202","0.1335","","","","","","1.022","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035780","13.4284","0.0013","14.8108","0.0014","18.7925","0.0018","85.621","0.003","85.759","0.003","64.039","0.003","3347.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cl N2 O -","- C41 H31 Cl N2 O -","- C164 H124 Cl4 N8 O4 -","4","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1388","0.0748","","","0.1999","0.2209","","","","","","1.09","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035781","11.9933","0.0012","26.441","0.003","10.9468","0.0011","90","","91.761","0.004","90","","3469.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N2 O -","- C42 H34 N2 O -","- C168 H136 N8 O4 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1546","0.0756","","","0.2047","0.2342","","","","","","1.047","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035782","10.0551","0.0012","13.9307","0.0016","14.3219","0.0016","105.884","0.004","101.048","0.004","101.07","0.004","1829.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N2 O -","- C42 H34 N2 O -","- C84 H68 N4 O2 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1519","0.0758","","","0.2328","0.2594","","","","","","1.075","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035783","11.639","0.002","13.469","0.002","14.068","0.003","118.311","0.005","106.032","0.005","95.844","0.005","1794.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Cl4 N2 O -","- C42 H32 Cl4 N2 O -","- C84 H64 Cl8 N4 O2 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1656","0.0666","","","0.1359","0.155","","","","","","1.014","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035784","11.4683","0.0017","12.6934","0.0017","13.202","0.0019","76.23","0.005","74.653","0.005","78.53","0.003","1781","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H35 Cl N2 O -","- C40 H35 Cl N2 O -","- C80 H70 Cl2 N4 O2 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1319","0.0871","","","0.2474","0.262","","","","","","1.08","","","","has coordinates,has disorder","227220","2020-10-21","18:00:00",""
"4035785","13.4054","0.001","21.7037","0.0015","9.9449","0.0007","90","","97.042","0.002","90","","2871.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 N2 O3 -","- C35 H34 N2 O3 -","- C140 H136 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1495","0.0619","","","0.1285","0.1571","","","","","","1.018","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035786","18.6639","0.0014","19.7338","0.0016","30.808","0.003","90","","90","","90","","11346.9","1.7","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H30 N2 O -","- C34 H30 N2 O -","- C544 H480 N32 O16 -","16","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1303","0.0696","","","0.1813","0.2203","","","","","","1.059","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035787","19.7225","0.0007","19.7225","0.0007","15.4255","0.0006","90","","90","","90","","6000.2","0.4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H27 Cl N2 O -","- C33 H27 Cl N2 O -","- C264 H216 Cl8 N16 O8 -","8","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.0824","0.0516","","","0.1218","0.1351","","","","","","1.05","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035788","10.1559","0.0012","11.5592","0.0013","12.7266","0.0014","64.486","0.003","71.763","0.004","64.08","0.003","1198.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cl N2 O3 -","- C28 H25 Cl N2 O3 -","- C56 H50 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.0858","0.0555","","","0.1298","0.1399","","","","","","1.058","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035789","12.1429","0.0007","7.2183","0.0004","17.3189","0.0011","90","","92.941","0.004","90","","1516.02","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C72 H56 Cl4 N4 O8 -","4","1","","Das, Malay; Saikia, Anil K.","Stereoselective Synthesis of Pyrroloisoindolone and Pyridoisoindolone via aza-Prins Cyclization of Endocyclic N-Acyliminium Ions.","The Journal of organic chemistry","2018","83","11","6178","6185","10.1021/acs.joc.8b00440","","","0.71073","MoKα","","0.0705","0.0397","","","0.068","0.0787","","","","","","0.904","","","","has coordinates","227221","2020-10-21","18:00:00",""
"4035790","8.1721","0.0003","10.6004","0.0005","13.6501","0.0005","90","","95.223","0.003","90","","1177.56","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N O2 Si -","- C24 H31 N O2 Si -","- C48 H62 N2 O4 Si2 -","2","1","","Zheng, Nan; Song, Wangze; Zhang, Tiexin; Li, Ming; Zheng, Yubin; Chen, Lingyue","Rhodium-Catalyzed Highly Regioselective and Stereoselective Intermolecular Hydrosilylation of Internal Ynamides under Mild Conditions.","The Journal of organic chemistry","2018","83","11","6210","6216","10.1021/acs.joc.8b00695","","","0.71073","MoKα","","0.0402","0.0346","","","0.0839","0.0874","","","","","","1.039","","","","has coordinates","227222","2020-10-21","18:00:00",""
"4035791","8.4214","0.0005","11.5257","0.0007","22.6933","0.0015","90","","90","","90","","2202.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.0612","0.0415","","","0.0989","0.1099","","","","","","1.073","","","","has coordinates","227223","2020-10-21","18:00:00",""
"4035792","9.1524","0.0006","11.9912","0.0007","16.2594","0.001","90","","104.48","0.002","90","","1727.76","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.0609","0.0451","","","0.1211","0.144","","","","","","1.073","","","","has coordinates","227224","2020-10-21","18:00:00",""
"4035793","10.6766","0.0019","12.442","0.002","12.841","0.002","109.01","0.002","106.262","0.002","107.322","0.002","1398.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H25 N O4 S2 -","- C33 H25 N O4 S2 -","- C66 H50 N2 O8 S4 -","2","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.0838","0.052","","","0.1288","0.1579","","","","","","1.061","","","","has coordinates","227225","2020-10-21","18:00:00",""
"4035794","9.2961","0.0019","11.453","0.003","13.679","0.003","66.577","0.007","83.279","0.007","87.817","0.007","1327.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 N O5 S -","- C31 H29 N O5 S -","- C62 H58 N2 O10 S2 -","2","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.1381","0.0785","","","0.1865","0.2156","","","","","","1.03","","","","has coordinates","227226","2020-10-21","18:00:00",""
"4035795","14.0165","0.0001","9.9285","0.0001","18.7196","0.0002","90","","90.997","0.001","90","","2604.68","0.04","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N O5 -","- C30 H29 N O5 -","- C120 H116 N4 O20 -","4","1","","Xu, Hui; Liu, Hong-Wei; Chen, Kuan; Wang, Guan-Wu","One-Pot Multicomponent Mechanosynthesis of Polysubstituted trans-2,3-Dihydropyrroles and Pyrroles from Amines, Alkyne Esters, and Chalcones.","The Journal of organic chemistry","2018","83","11","6035","6049","10.1021/acs.joc.8b00665","","","1.54184","CuKα","","0.0533","0.0494","","","0.1419","0.1465","","","","","","1.045","","","","has coordinates","227227","2020-10-21","18:00:00",""
"4035796","5.1273","0.0014","7.9444","0.0019","30.291","0.007","90","","90","","90","","1233.9","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F6 N2 O4 -","- C24 H28 F6 N2 O4 -","- C48 H56 F12 N4 O8 -","2","0.5","","Cui, Bin; Sun, Hui; Xu, Yibo; Li, Lin; Duan, Lili; Li, Yue-Ming","Mn(OAc)<sub>3</sub>-Mediated Hydrotrifluoromethylation of Unactivated Alkenes Using CF<sub>3</sub>SO<sub>2</sub>Na as the Trifluoromethyl Source.","The Journal of organic chemistry","2018","83","11","6015","6024","10.1021/acs.joc.8b00633","","","0.71073","MoKα","","0.0823","0.0778","","","0.2407","0.2446","","","","","","1.028","","","","has coordinates","227228","2020-10-21","18:00:00",""
"4035797","16.2416","0.0005","16.56","0.0006","14.0383","0.0004","90","","91.79","0.002","90","","3773.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C176 H168 N8 O24 -","8","2","","Ramanathan, Mani; Wang, Yu-Hao; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Yuan-Chung; Liu, Shiuh-Tzung","Preparation of Ketimines from Aryldiazonium Salts, Arenes, and Nitriles via Intermolecular Arylation of N-Arylnitrilium Ions.","The Journal of organic chemistry","2018","83","11","6133","6141","10.1021/acs.joc.8b01000","","","0.71073","MoKα","","0.0852","0.0477","","","0.1012","0.1228","","","","","","1.003","","","","has coordinates","227229","2020-10-21","18:00:00",""
"4035798","11.228","0.006","16.224","0.008","18.542","0.009","90","","90","","90","","3378","3","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H32 N2 O -","- C39 H32 N2 O -","- C156 H128 N8 O4 -","4","1","","Wang, Jing-Yi; Wu, Ping; Wu, Jia-Le; Mei, Guang-Jian; Shi, Feng","Chemodivergent Tandem Cyclizations of 2-Indolylmethanols with Tryptophols: C-N versus C-C Bond Formation.","The Journal of organic chemistry","2018","83","11","5931","5946","10.1021/acs.joc.8b00414","","","0.71073","MoKα","","0.1074","0.0762","","","0.2088","0.2341","","","","","","0.934","","","","has coordinates","227230","2020-10-21","18:00:00",""
"4035799","23.869","0.003","13.815","0.002","19.332","0.003","90","","103.665","0.002","90","","6194.3","1.5","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H33 Cl N2 O -","- C39.5 H33 Cl N2 O -","- C316 H264 Cl8 N16 O8 -","8","1","","Wang, Jing-Yi; Wu, Ping; Wu, Jia-Le; Mei, Guang-Jian; Shi, Feng","Chemodivergent Tandem Cyclizations of 2-Indolylmethanols with Tryptophols: C-N versus C-C Bond Formation.","The Journal of organic chemistry","2018","83","11","5931","5946","10.1021/acs.joc.8b00414","","","0.71073","MoKα","","0.1219","0.0648","","","0.1705","0.2013","","","","","","1.034","","","","has coordinates","227231","2020-10-21","18:00:00",""
"4035800","5.272","0.003","11.037","0.007","14.722","0.01","90","","90","","90","","856.6","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Khan, Hina P. A.; Das, Dipendu; Chakraborty, Tushar Kanti","Application of Cp<sub>2</sub>TiCl-Promoted Radical Cyclization: A Unified Strategy for the Syntheses of Iridoid Monoterpenes.","The Journal of organic chemistry","2018","83","11","6086","6092","10.1021/acs.joc.8b00752","","x-ray","0.71073","MoKα","","0.0383","0.0304","","","0.0682","0.0736","","","","","","1.09","","","","has coordinates","227233","2020-10-21","18:00:00",""
"4035801","17.1569","0.001","7.1445","0.0004","12.2275","0.0008","90","","90.144","0.004","90","","1498.81","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N3 O2 -","- C17 H12 Cl N3 O2 -","- C68 H48 Cl4 N12 O8 -","4","1","","Sarkar, Tanumay; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Ruthenium(II)-Catalyzed Positional Selective C-H Oxygenation of N-Aryl-2-pyrimidines.","The Journal of organic chemistry","2018","83","12","6444","6453","10.1021/acs.joc.8b00714","","","0.71073","MoKα","","0.0448","0.0345","","","0.0873","0.0937","","","","","","1.045","","","","has coordinates","227234","2020-10-21","18:00:00",""
"4035802","9.9305","0.0001","12.059","0.0001","18.5891","0.0002","90","","90","","90","","2226.08","0.04","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Br N2 O4 -","- C20 H27 Br N2 O4 -","- C80 H108 Br4 N8 O16 -","4","1","","Liu, Kun; Jiang, Hua-Jie; Li, Na; Li, Hui; Wang, Jing; Zhang, Zheng-Zhu; Yu, Jie","Enantioselective Bromocyclization of Tryptamines Induced by Chiral Co(III)-Complex-Templated Brønsted Acids under an Air Atmosphere.","The Journal of organic chemistry","2018","83","12","6815","6823","10.1021/acs.joc.8b01196","","","1.54184","CuKα","","0.0306","0.0297","","","0.0785","0.0793","","","","","","1.043","","","","has coordinates","227235","2020-10-21","18:00:00",""
"4035803","8.7173","0.0004","10.9529","0.0005","25.4242","0.001","90","","94.556","0.004","90","","2419.82","0.18","293","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Cl N O2 Rh -","- C27 H31 Cl N O2 Rh -","- C108 H124 Cl4 N4 O8 Rh4 -","4","1","","Tian, Miaomiao; Zheng, Guangfan; Fan, Xuesen; Li, Xingwei","Rhodium(III)-Catalyzed Redox-Neutral Synthesis of Isoquinolinium Salts via C-H Activation of Imines.","The Journal of organic chemistry","2018","83","12","6477","6488","10.1021/acs.joc.8b00758","","","0.71073","MoKα","","0.0359","0.031","","","0.0668","0.0689","","","","","","1.084","","","","has coordinates","227236","2020-10-21","18:00:00",""
"4035804","31.492","","9.345","","21.839","","90","","112.88","","90","","5921.39","","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 F12 N4 O16 S4 -","- C50 H48 F12 N4 O16 S4 -","- C200 H192 F48 N16 O64 S16 -","4","0.5","","Tian, Miaomiao; Zheng, Guangfan; Fan, Xuesen; Li, Xingwei","Rhodium(III)-Catalyzed Redox-Neutral Synthesis of Isoquinolinium Salts via C-H Activation of Imines.","The Journal of organic chemistry","2018","83","12","6477","6488","10.1021/acs.joc.8b00758","","","0.71073","MoKα","","0.1179","0.0918","","","0.3113","0.3455","","","","","","1.367","","","","has coordinates","227237","2020-10-21","18:00:00",""
"4035805","7.5477","0.0004","8.0801","0.0004","11.7891","0.0006","94.924","0.003","106.559","0.003","96.266","0.003","679.86","0.06","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 B F6 N2 -","- C15 H9 B F6 N2 -","- C30 H18 B2 F12 N4 -","2","1","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","0.71073","MoKα","","0.0713","0.0471","","","0.1201","0.1342","","","","","","1.034","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035806","22.7561","0.0011","9.3087","0.0004","20.1701","0.0009","90","","100.347","0.004","90","","4203.1","0.3","110","0.5","110","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 B2 F12 N6 -","- C42 H26 B2 F12 N6 -","- C168 H104 B8 F48 N24 -","4","0.5","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","0.71073","MoKα","","0.0611","0.0424","","","0.0969","0.1032","","","","","","1.048","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035807","32.7756","0.0017","33.3988","0.0018","16.7223","0.0009","90","","120.683","0.003","90","","15742.7","1.5","105","0.5","105","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H15 B F12 N2 -","- C29 H15 B F12 N2 -","- C696 H360 B24 F288 N48 -","24","3","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","1.54184","CuKα","","0.1806","0.1518","","","0.3601","0.3944","","","","","","1.555","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035808","14.0984","0.0013","7.4733","0.0004","30.328","0.003","90","","102.619","0.007","90","","3118.2","0.5","110","0.5","110","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 B F6 N2 S2 -","- C29 H21 B F6 N2 S2 -","- C116 H84 B4 F24 N8 S8 -","4","1","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","1.54184","CuKα","","0.1728","0.1141","","","0.2761","0.3126","","","","","","0.939","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035809","12.6276","0.0005","14.8535","0.0007","16.4118","0.0008","112.252","0.003","94.497","0.003","95.789","0.003","2811.7","0.2","105","0.5","105","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 B F6 N2 S2 -","- C29 H21 B F6 N2 S2 -","- C116 H84 B4 F24 N8 S8 -","4","2","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","1.54184","CuKα","","0.1032","0.0739","","","0.2006","0.2196","","","","","","0.998","","","","has coordinates,has disorder","227238","2020-10-21","18:00:00",""
"4035810","11.966","0.004","13.517","0.005","19.836","0.005","95.32","0.03","104.25","0.03","106.6","0.03","2933.8","1.8","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H52 Br N8 Na O2 -","- C40 H48 Br0.999 N8 Na O1.91633 -","- C120 H144 Br2.997 N24 Na3 O5.749 -","3","3","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1837","0.095","","","0.2062","0.2642","","","","","","1.002","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035811","12.092","0.004","27.403","0.008","23.358","0.009","90","","93.3","0.03","90","","7727","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.7 H52.6 Br K N8 O1.6 -","- C40.6765 H50.706 Br0.99975 K N8 O1.55625 -","- C325.412 H405.648 Br7.998 K8 N64 O12.45 -","8","4","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1385","0.0775","","","0.1372","0.1589","","","","","","1.001","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035812","21.201","0.004","26.732","0.006","26.969","0.005","90","","90","","90","","15285","5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40.8 H52.6 Br K N8 O1.5 -","- C40.8125 H51.25 Br K N8 O1.49625 -","- C653 H820 Br16 K16 N128 O23.94 -","16","4","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1395","0.0791","","","0.1939","0.2211","","","","","","1.023","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035813","11.232","0.002","12.217","0.002","33.308","0.008","90","","90","","90","","4570.6","1.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52.8 Cl4 N8 O16.4 -","- C40 H52.822 Cl4 N8 O16.411 -","- C160 H211.288 Cl16 N32 O65.644 -","4","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1199","0.0746","","","0.1461","0.1668","","","","","","1.02","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035814","12.559","0.003","12.559","0.003","56.211","0.009","90","","90","","90","","8866","3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C33 H61 Cl4 N7 O7 -","- C33 H47 Cl4 N7 O7 -","- C264 H376 Cl32 N56 O56 -","8","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","1.5418","CuKα","","0.1052","0.1027","","","0.2799","0.2819","","","","","","1.08","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035815","16.703","0.003","18.692","0.004","18.76","0.004","90","","90","","90","","5857","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H80 N8 O8 S2 -","- C62 H80 N8 O8 S2 -","- C248 H320 N32 O32 S8 -","4","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.0909","0.0605","","","0.1326","0.1417","","","","","","0.941","","","","has coordinates","227239","2020-10-21","18:00:00",""
"4035816","10.417","0.009","10.557","0.009","14.063","0.012","91.01","0.005","106.752","0.018","104.575","0.017","1426","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 N O2 P -","- C37 H30 N O2 P -","- C74 H60 N2 O4 P2 -","2","1","","Nagahora, Noriyoshi; Goto, Shoko; Inatomi, Takahiro; Tokumaru, Hiroshi; Matsubara, Kouki; Shioji, Kosei; Okuma, Kentaro","Buchwald-Hartwig Amination of Phosphinines and the Effect of Amine Substituents on Optoelectronic Properties of the Resulting Coupling Products.","The Journal of organic chemistry","2018","83","12","6373","6381","10.1021/acs.joc.8b00592","","","0.71075","MoKα","","0.1178","0.0822","","","0.219","0.2517","","","","","","1.003","","","","has coordinates","227240","2020-10-21","18:00:00",""
"4035817","22.2044","0.0012","8.5077","0.0007","7.4456","0.0006","90","","90","","90","","1406.54","0.18","298","0.1","298","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Shi, Xiaonan; Chen, Xi; Wang, Muhua; Zhang, Xinying; Fan, Xuesen","Regioselective Synthesis of Acylated N-Heterocycles via the Cascade Reactions of Saturated Cyclic Amines with 2-Oxo-2-arylacetic Acids.","The Journal of organic chemistry","2018","83","12","6524","6533","10.1021/acs.joc.8b00805","","x-ray","0.71073","MoKα","","0.0462","0.0434","","","0.0984","0.0999","","","","","","1.111","","","","has coordinates","227241","2020-10-21","18:00:00",""
"4035818","11.1647","0.0007","11.6691","0.0007","16.6362","0.0011","90","","90","","90","","2167.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 N2 O4 -","- C19 H34 N2 O4 -","- C76 H136 N8 O16 -","4","1","","Almond-Thynne, Joshua; Han, Jiaxu; White, Andrew J. P.; Polyzos, Anastasios; Parsons, Philip J.; Barrett, Anthony G. M.","Bidirectional Synthesis of Di- tert-butyl (2 S,6 S,8 S)- and (2 R,6 R,8 R)-1,7-Diazaspiro[5.5]undecane-2,8-dicarboxylate and Related Spirodiamines.","The Journal of organic chemistry","2018","83","12","6783","6787","10.1021/acs.joc.8b00794","","","1.54184","CuKα","","0.1112","0.0681","","","0.161","0.1985","","","","","","0.978","","","","has coordinates,has disorder","227242","2020-10-21","18:00:00",""
"4035819","7.4452","0.0007","9.2054","0.0009","26.702","0.003","90","","90","","90","","1830","0.3","104","2","104","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C84 H128 N8 O4 -","4","1","","Menger, Martina; Lentz, Dieter; Christmann, Mathias","Synthesis of (+)-Vitepyrroloid A and (+)-Vitepyrroloid B by Late-Stage Ni-Catalyzed C(sp2)-C(sp3) Cross-Electrophile Coupling.","The Journal of organic chemistry","2018","83","12","6793","6797","10.1021/acs.joc.8b00882","","","1.54178","CuKα","","0.0276","0.0276","","","0.0704","0.0704","","","","","","1.092","","","","has coordinates","227243","2020-10-21","18:00:00",""
"4035820","15.4095","0.001","90.764","0.006","4.2446","0.0003","90","","90","","90","","5936.6","0.7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","iodo chlorophenyl phenylselenophene","3-iodo-4-(4-chlorophenyl)-2-phenylselenophene","","- C16 H10 Cl I Se -","- C16 H10 Cl I Se -","- C256 H160 Cl16 I16 Se16 -","16","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","1.54178","CuKα","","0.0336","0.0335","","","0.0958","0.0959","","","","","","1.088","","","","has coordinates","227244","2020-10-21","18:00:00",""
"4035821","5.7033","0.0002","22.7969","0.0009","23.3729","0.0009","90","","90.033","0.002","90","","3038.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bromo naphthalen tetrahydrobenzo selenophene","3-bromo-2-(naphthalen-2-yl)-4,5,6,7-tetrahydrobenzo[b]selenophene","","- C18 H15 Br Se -","- C18 H15 Br Se -","- C144 H120 Br8 Se8 -","8","2","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","1.54178","CuKα","","0.0401","0.0364","","","0.1023","0.1057","","","","","","1.098","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4035822","9.4395","0.0004","8.61","0.0004","16.0486","0.0006","90","","98.143","0.001","90","","1291.18","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","iodo phenyl tetrahydrobenzo selephene","3-iodo-2-phenyl-4,5,6,7-tetrahydrobenzo[b]selephene","","- C14 H13 I Se -","- C14 H13 I Se -","- C56 H52 I4 Se4 -","4","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","0.56086","AgKα","","0.0224","0.019","","","0.0408","0.0477","","","","","","1.212","","","","has coordinates","227246","2020-10-21","18:00:00",""
"4035823","17.7202","0.0019","5.9497","0.0007","13.9707","0.0015","90","","95.958","0.003","90","","1465","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","iodo methylphenyl phenylselenophene","3-iodo-4-(4-methylphenyl)-2-phenylselenophene","","- C17 H13 I Se -","- C17 H13 I Se -","- C68 H52 I4 Se4 -","4","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","0.71073","MoKα","","0.0312","0.0284","","","0.0761","0.0786","","","","","","1.06","","","","has coordinates","227247","2020-10-21","18:00:00",""
"4035824","40.01","0.0002","5.3146","0.0003","15.5045","0.0009","90","","91.234","0.002","90","","3296.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","phenyl phenylethynyl tetrahydrobenzo selenophene","2-phenyl-3-(phenylethynyl)-4,5,6,7-tetrahydrobenzo[b]selenophene","","- C22 H18 Se -","- C22 H18 Se -","- C176 H144 Se8 -","8","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","0.71073","MoKα","","0.0437","0.0349","","","0.0817","0.0844","","","","","","1.052","","","","has coordinates","227248","2020-10-21","18:00:00",""
"4035825","16.6619","0.0006","10.7864","0.0003","11.6368","0.0003","90","","101.846","0.003","90","","2046.85","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O7 S -","- C21 H21 N O7 S -","- C84 H84 N4 O28 S4 -","4","1","","Alamillo-Ferrer, Carla; Curle, Jonathan M.; Davidson, Stuart C.; Lucas, Simon C. C.; Atkinson, Stephen J.; Campbell, Matthew; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Alkene Oxyamination Using Malonoyl Peroxides: Preparation of Pyrrolidines and Isoxazolidines.","The Journal of organic chemistry","2018","83","12","6728","6740","10.1021/acs.joc.8b00392","","","1.5418","CuKα","","0.0534","0.0456","","","0.1218","0.1296","","","","","","1.037","","","","has coordinates","227249","2020-10-21","18:00:00",""
"4035826","14.2564","0.001","7.5171","0.0005","21.4885","0.0016","90","","92.211","0.007","90","","2301.1","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O8 S -","- C24 H27 N O8 S -","- C96 H108 N4 O32 S4 -","4","1","","Alamillo-Ferrer, Carla; Curle, Jonathan M.; Davidson, Stuart C.; Lucas, Simon C. C.; Atkinson, Stephen J.; Campbell, Matthew; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Alkene Oxyamination Using Malonoyl Peroxides: Preparation of Pyrrolidines and Isoxazolidines.","The Journal of organic chemistry","2018","83","12","6728","6740","10.1021/acs.joc.8b00392","","","0.71073","MoKα","","0.0691","0.0541","","","0.1081","0.1166","","","","","","1.111","","","","has coordinates","227249","2020-10-21","18:00:00",""
"4035827","8.15","0.002","15.852","0.004","10.041","0.003","90","","99.101","0.004","90","","1280.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Wei, Lin-Su; He, Guo-Xue; Kong, Xiang-Fei; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","Gold(III)-Catalyzed Selective Cyclization of Alkynyl Quinazolinone-Tethered Pyrroles: Synthesis of Fused Quinazolinone Scaffolds.","The Journal of organic chemistry","2018","83","12","6719","6727","10.1021/acs.joc.8b00168","","","0.71073","MoKα","","0.0517","0.0429","","","0.1227","0.1334","","","","","","1.051","","","","has coordinates","227250","2020-10-21","18:00:00",""
"4035828","14.4722","0.0013","7.4682","0.0007","19.5138","0.0014","90","","113.454","0.005","90","","1934.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 F O4 -","- C22 H29 F O4 -","- C88 H116 F4 O16 -","4","1","","Schiavo, Lucie; Lebedel, Ludivine; Massé, Paul; Choppin, Sabine; Hanquet, Gilles","Access to Wieland-Miescher Diketone-Derived Building Blocks by Stereoselective Construction of the C-9 Quaternary Carbon Center Using the Mukaiyama Aldol Reaction.","The Journal of organic chemistry","2018","83","12","6247","6258","10.1021/acs.joc.7b02862","","","0.71073","MoKα","","0.1412","0.0654","","","0.1637","0.1935","","","","","","1.04","","","","has coordinates,has disorder","227251","2020-10-21","18:00:00",""
"4035829","7.8995","0.0003","8.2826","0.0003","29.6905","0.0012","90","","90","","90","","1942.6","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Schiavo, Lucie; Lebedel, Ludivine; Massé, Paul; Choppin, Sabine; Hanquet, Gilles","Access to Wieland-Miescher Diketone-Derived Building Blocks by Stereoselective Construction of the C-9 Quaternary Carbon Center Using the Mukaiyama Aldol Reaction.","The Journal of organic chemistry","2018","83","12","6247","6258","10.1021/acs.joc.7b02862","","","0.71073","MoKα","","0.0522","0.0396","","","0.0887","0.0945","","","","","","1.024","","","","has coordinates","227252","2020-10-21","18:00:00",""
"4035830","8.0167","0.0016","8.298","0.0018","9.931","0.002","76.343","0.012","74.733","0.012","85.06","0.013","619.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C32 H24 O4 -","2","1","","Mancuso, Raffaella; Pomelli, Christian S.; Chiappetta, Piera; Gioia, Katia F.; Maner, Asif; Marino, Nadia; Veltri, Lucia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent Syntheses of ( Z)-3-Alkylideneisobenzofuran-1(3 H)-ones and 1 H-Isochromen-1-ones by Copper-Catalyzed Cycloisomerization of 2-Alkynylbenzoic Acids in Ionic Liquids.","The Journal of organic chemistry","2018","83","12","6673","6680","10.1021/acs.joc.8b00923","","","0.71073","MoKα","","0.0897","0.0645","","","0.1859","0.2072","","","","","","1.027","","","","has coordinates","227253","2020-10-21","18:00:00",""
"4035831","13.1964","0.001","17.5953","0.0012","14.6919","0.001","90","","96.304","0.003","90","","3390.8","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C180 H120 O24 -","12","3","","Mancuso, Raffaella; Pomelli, Christian S.; Chiappetta, Piera; Gioia, Katia F.; Maner, Asif; Marino, Nadia; Veltri, Lucia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent Syntheses of ( Z)-3-Alkylideneisobenzofuran-1(3 H)-ones and 1 H-Isochromen-1-ones by Copper-Catalyzed Cycloisomerization of 2-Alkynylbenzoic Acids in Ionic Liquids.","The Journal of organic chemistry","2018","83","12","6673","6680","10.1021/acs.joc.8b00923","","","0.71073","MoKα","","0.042","0.032","","","0.0891","0.1067","","","","","","1.11","","","","has coordinates","227254","2020-10-21","18:00:00",""
"4035832","9.4156","0.0007","16.2735","0.0013","10.0456","0.0008","90","","100.074","0.002","90","","1515.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 S -","- C17 H18 O4 S -","- C68 H72 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin","Stereocontrolled Synthesis of 3-Sulfonyl Chroman-4-ols.","The Journal of organic chemistry","2018","83","12","6798","6804","10.1021/acs.joc.8b01043","","","0.71073","MoKα","","0.0411","0.0348","","","0.0817","0.0852","","","","","","1.03","","","","has coordinates","227255","2020-10-21","18:00:00",""
"4035833","15.4645","0.0014","18.338","0.0016","5.4053","0.0004","90","","93.229","0.003","90","","1530.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 S -","- C17 H18 O4 S -","- C68 H72 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin","Stereocontrolled Synthesis of 3-Sulfonyl Chroman-4-ols.","The Journal of organic chemistry","2018","83","12","6798","6804","10.1021/acs.joc.8b01043","","","0.71073","MoKα","","0.0716","0.0632","","","0.1514","0.1573","","","","","","1.136","","","","has coordinates","227255","2020-10-21","18:00:00",""
"4035834","11.2544","0.0015","17.5322","0.0014","7.5684","0.001","90","","108.024","0.013","90","","1420.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F2 N3 O3 -","- C15 H13 F2 N3 O3 -","- C60 H52 F8 N12 O12 -","4","1","","Han, Wen-Yong; Wang, Jian-Shu; Zhao, Jia; Long, Lin; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","A Protocol for the Synthesis of CF<sub>2</sub>H-Containing Pyrazolo[1,5- c]quinazolines from 3-Ylideneoxindoles and in Situ Generated CF<sub>2</sub>HCHN<sub>2</sub>.","The Journal of organic chemistry","2018","83","12","6556","6565","10.1021/acs.joc.8b00866","","","0.71073","MoKα","","0.1231","0.0564","","","0.1247","0.1563","","","","","","1.005","","","","has coordinates","227256","2020-10-21","18:00:00",""
"4035835","9.1373","0.0005","22.4412","0.001","17.6747","0.001","90","","103.855","0.006","90","","3518.8","0.3","297","","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 N2 O -","- C20 H14 Cl2 N2 O -","- C160 H112 Cl16 N16 O8 -","8","2","","Li, Zhen-Hua; Jiang, Zhi-Jiang; Shao, Qiao-Ling; Qin, Jin-Jing; Shu, Qiang-Feng; Lu, Wen-Hao; Su, Wei-Ke","One-Pot Cascade Heterocyclization of γ- and β-Ketomalononitriles to 2,4-Dichloro-Substituted Pyrano[2,3- d]pyrimidines and Furo[2,3- d]pyrimidines Mediated by Triphosgene and Triphenylphosphine Oxide.","The Journal of organic chemistry","2018","83","12","6423","6431","10.1021/acs.joc.8b00669","","","0.71073","MoKα","","0.0888","0.0499","","","0.0982","0.1159","","","","","","1.068","","","","has coordinates","227257","2020-10-21","18:00:00",""
"4035836","13.7079","0.0006","5.7149","0.0002","21.2609","0.0009","90","","102.121","0.003","90","","1628.43","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Verma, Shalini; Mishra, Pawan K.; Kumar, Manoj; Sur, Souvik; Verma, Akhilesh K.","Transition-Metal-Free Access to Pyridocarbazoles from 2-Alkynylindole-3-carbaldehydes via Azomethine Ylide.","The Journal of organic chemistry","2018","83","12","6650","6663","10.1021/acs.joc.8b00980","","","0.71073","MoKα","","0.0611","0.0479","","","0.1298","0.1388","","","","","","1.067","","","","has coordinates","227258","2020-10-21","18:00:00",""
"4035837","13.187","0.005","5.857","0.002","20.28","0.009","90","","96.89","0.03","90","","1555","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C60 H64 Cl4 N4 O8 S4 -","4","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","","0.71073","MoKα","","0.1514","0.0847","","","0.2281","0.2535","","","","","","1.053","","","","has coordinates","227259","2020-10-21","18:00:00",""
"4035838","13.6044","0.0011","5.8328","0.0005","19.6597","0.0015","90","","99.815","0.004","90","","1537.2","0.2","298","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C60 H64 Cl4 N4 O8 S4 -","4","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","","0.71073","MoKα","","0.0906","0.0435","","","0.1019","0.115","","","","","","1.02","","","","has coordinates","227259","2020-10-21","18:00:00",""
"4035839","32.547","0.002","4.2555","0.0002","30.366","0.0019","90","","114.419","0.007","90","","3829.6","0.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 F3 N O4 -","- C22 H14 F3 N O4 -","- C176 H112 F24 N8 O32 -","8","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","","0.71073","MoKα","","0.1771","0.0775","","","0.1544","0.19","","","","","","1.074","","","","has coordinates,has disorder","227259","2020-10-21","18:00:00",""
"4035840","7.1559","0.0003","9.9916","0.0006","13.054","0.0004","95.328","0.004","91.807","0.003","102.699","0.004","905.28","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","svk_591","","- C22 H14 F3 N O4 -","- C22 H14 F3 N O4 -","- C44 H28 F6 N2 O8 -","2","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","x-ray","0.71073","MoKα","","0.0582","0.049","","","0.1165","0.1241","","","","","","1.06","","","","has coordinates","227259","2020-10-21","18:00:00",""
"4035841","29.204","0.003","5.9824","0.0006","18.1623","0.0017","90","","120.993","0.014","90","","2720.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cl N O4 S -","- C13 H12 Cl N O4 S -","- C104 H96 Cl8 N8 O32 S8 -","8","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1087","0.0566","","","0.1378","0.1657","","","","","","0.917","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035842","13.4599","0.0013","5.9693","0.0004","8.7884","0.001","90","","101.719","0.009","90","","691.4","0.12","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H14 F N O4 -","- C15 H14 F N O4 -","- C30 H28 F2 N2 O8 -","2","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.107","0.0484","","","0.0936","0.1149","","","","","","0.84","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035843","17.576","0.005","6.016","0.003","15.422","0.005","90","","103.26","0.03","90","","1587.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.3019","0.0972","","","0.1902","0.2669","","","","","","0.792","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035844","12.0094","0.0017","9.0315","0.0011","59.748","0.006","90","","90","","90","","6480.4","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C288 H304 N16 O64 -","16","2","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.2183","0.09","","","0.2084","0.2593","","","","","","1.014","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035845","12.141","0.003","12.9427","0.0019","8.5151","0.0019","90","","109.14","0.03","90","","1264.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1991","0.0566","","","0.1002","0.1338","","","","","","0.798","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035846","10.874","0.002","8.3249","0.0015","19.94","0.004","90","","90","","90","","1805.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N -","- C11 H13 N -","- C88 H104 N8 -","8","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1278","0.0468","","","0.0828","0.098","","","","","","0.888","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035847","6.2978","0.0007","8.5419","0.0009","13.3191","0.0012","87.397","0.008","77.332","0.008","76.803","0.009","680.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C30 H38 N2 O4 S2 -","2","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.0571","0.0426","","","0.1057","0.1146","","","","","","0.998","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035848","6.3634","0.0016","17.543","0.007","12.5068","0.0018","90","","104.343","0.019","90","","1352.7","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 Br N O2 -","- C14 H14 Br N O2 -","- C56 H56 Br4 N4 O8 -","4","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1353","0.0568","","","0.1046","0.1394","","","","","","0.887","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035849","12.23985","0.00013","21.8131","0.0002","14.46867","0.00014","90","","99.1751","0.001","90","","3813.55","0.07","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 -","- C58 H40 -","- C232 H160 -","4","1","","Melidonie, Jason; Liu, Junzhi; Fu, Yubin; Weigand, Jan J.; Berger, Reinhard; Feng, Xinliang","Pyrene-Fused s-Indacene.","The Journal of organic chemistry","2018","83","12","6633","6639","10.1021/acs.joc.8b00925","","x-ray","1.54184","CuKα","","0.0556","0.0506","","","0.1432","0.1492","","","","","","1.037","","","","has coordinates","227261","2020-10-21","18:00:00",""
"4035850","13.5895","0.0004","11.2987","0.0003","16.7039","0.0005","90","","90.669","0.003","90","","2564.6","0.13","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C70.08 H65.5 -","- C70.074 H65.506 -","- C140.148 H131.012 -","2","0.5","","Melidonie, Jason; Liu, Junzhi; Fu, Yubin; Weigand, Jan J.; Berger, Reinhard; Feng, Xinliang","Pyrene-Fused s-Indacene.","The Journal of organic chemistry","2018","83","12","6633","6639","10.1021/acs.joc.8b00925","","x-ray","1.54184","CuKα","","0.0742","0.0646","","","0.1893","0.2038","","","","","","1.045","","","","has coordinates,has disorder","227262","2020-10-21","18:00:00",""
"4035851","16.313","0.0007","11.6843","0.0005","9.3275","0.0004","90","","122.965","0.003","90","","1491.64","0.12","200","1","200","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H13 Br N2 O3 -","- C16 H13 Br N2 O3 -","- C64 H52 Br4 N8 O12 -","4","1","","Vila, Carlos; Rostoll-Berenguer, Jaume; Sánchez-García, Rubén; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 2-Amino-1,1-diarylalkanes Bearing a Carbocyclic Ring Substituted Indole through Asymmetric Catalytic Reaction of Hydroxyindoles with Nitroalkenes.","The Journal of organic chemistry","2018","83","12","6397","6407","10.1021/acs.joc.8b00612","","","0.71073","MoKα","","0.0708","0.0464","","","0.104","0.1246","","","","","","0.893","","","","has coordinates","227263","2020-10-21","18:00:00",""
"4035852","8.2991","0.0003","5.68602","0.00017","15.9291","0.0004","90","","103.299","0.003","90","","731.52","0.04","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Br N2 O3 -","- C16 H12 Br N2 O3 -","- C32 H24 Br2 N4 O6 -","2","1","","Vila, Carlos; Rostoll-Berenguer, Jaume; Sánchez-García, Rubén; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 2-Amino-1,1-diarylalkanes Bearing a Carbocyclic Ring Substituted Indole through Asymmetric Catalytic Reaction of Hydroxyindoles with Nitroalkenes.","The Journal of organic chemistry","2018","83","12","6397","6407","10.1021/acs.joc.8b00612","","","0.71073","MoKα","","0.0622","0.0414","","","0.0705","0.0802","","","","","","0.985","","","","has coordinates","227264","2020-10-21","18:00:00",""
"4035853","9.76","0.03","8.667","0.017","27.31","0.05","90.08","0.09","91.13","0.14","89.89","0.09","2310","9","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 N O3 S -","- C23 H33 N O3 S -","- C92 H132 N4 O12 S4 -","4","2","","Reddy, Leleti Rajender; Kotturi, Sharadsrikar; Waman, Yogesh; Patel, Chirag; Danidharia, Megha; Shenoy, Rajesh","Asymmetric Synthesis of α-(Diarylmethyl) Alkyl Amines through Regioselective Lithiation of α-Diarylmethanes and the Diastereoselective Addition to Ellman's Imines.","The Journal of organic chemistry","2018","83","12","6573","6579","10.1021/acs.joc.8b00879","","","0.71075","MoKα","","","0.082","","","","0.2058","","","","","","0.951","","","","has coordinates","227265","2020-10-21","18:00:00",""
"4035854","9.896","0.002","12.3718","0.0016","26.501","0.003","90","","90","","90","","3244.6","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41.25 H37.5 N2.5 O5 Si1.25 -","- C39 H36 N2 O4 Si -","- C156 H144 N8 O16 Si4 -","4","1","","Yoshioka, Shohei; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro","Cascade Multiple Diels-Alder Reactions of Styrene Derivatives with Maleimide or Maleic Anhydride.","The Journal of organic chemistry","2018","83","12","6599","6606","10.1021/acs.joc.8b00890","","","0.71073","MoKα","","0.1202","0.0765","","","0.1892","0.2297","","","","","","0.887","","","","has coordinates","227266","2020-10-21","18:00:00",""
"4035855","14.513","0.004","13.967","0.004","20.43","0.006","90","","95.626","0.005","90","","4121","2","293","2","123","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 Cl3 N3 O7 Si -","- C45 H40 Cl3 N3 O7 Si -","- C180 H160 Cl12 N12 O28 Si4 -","4","1","","Yoshioka, Shohei; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro","Cascade Multiple Diels-Alder Reactions of Styrene Derivatives with Maleimide or Maleic Anhydride.","The Journal of organic chemistry","2018","83","12","6599","6606","10.1021/acs.joc.8b00890","","x-ray","0.71073","MoKα","","0.1404","0.0982","","","0.2916","0.3349","","","","","","1.02","","","","has coordinates","227267","2020-10-21","18:00:00",""
"4035856","8.71268","0.00006","16.9165","0.00012","9.2721","0.00007","90","","95.227","0.0006","90","","1360.91","0.017","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 F3 N O3 S Si -","- C9 H14 F3 N O3 S Si -","- C36 H56 F12 N4 O12 S4 Si4 -","4","1","","Ohta, Reiya; Matsumoto, Nao; Ueyama, Yoshifumi; Kuboki, Yuichi; Aoyama, Hiroshi; Murai, Kenichi; Arisawa, Mitsuhiro; Maegawa, Tomohiro; Fujioka, Hiromichi","Highly Discriminative and Chemoselective Deprotection/Transformations of Acetals with the Combination of Trialkylsilyl Triflate/2,4,6-Collidine.","The Journal of organic chemistry","2018","83","12","6432","6443","10.1021/acs.joc.8b00675","","","1.54184","CuKα","","0.046","0.0446","","","0.1201","0.1211","","","","","","1.03","","","","has coordinates","227268","2020-10-21","18:00:00",""
"4035857","17.105","0.0013","8.9423","0.0006","16.1115","0.0015","90","","95.622","0.007","90","","2452.5","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 F3 N O3 S -","- C9 H12 F3 N O3 S -","- C72 H96 F24 N8 O24 S8 -","8","1","","Ohta, Reiya; Matsumoto, Nao; Ueyama, Yoshifumi; Kuboki, Yuichi; Aoyama, Hiroshi; Murai, Kenichi; Arisawa, Mitsuhiro; Maegawa, Tomohiro; Fujioka, Hiromichi","Highly Discriminative and Chemoselective Deprotection/Transformations of Acetals with the Combination of Trialkylsilyl Triflate/2,4,6-Collidine.","The Journal of organic chemistry","2018","83","12","6432","6443","10.1021/acs.joc.8b00675","","","1.54184","CuKα","","0.1708","0.1461","","","0.329","0.35","","","","","","1.407","","","","has coordinates","227269","2020-10-21","18:00:00",""
"4035858","27.7776","0.0014","44.788","0.003","6.8825","0.0004","90","","90","","90","","8562.5","0.9","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H44 I2 N16 Na2 O10 -","- C28 H44 I2 N16 Na2 O10 -","- C224 H352 I16 N128 Na16 O80 -","8","0.5","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0575","0.037","","","0.0556","0.0611","","","","","","1.001","","","","has coordinates","227270","2020-10-21","18:00:00",""
"4035859","3.858","0.011","6.027","0.013","29.82","0.07","90","","93.35","0.09","90","","692","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0829","0.059","","","0.1136","0.1211","","","","","","1.117","","","","has coordinates","227271","2020-10-21","18:00:00",""
"4035860","3.9913","0.0002","6.7117","0.0003","13.3807","0.0007","90","","97.162","0.003","90","","355.65","0.03","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C12 H10 Cl2 N8 -","2","0.5","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","1.54178","CuKα","","0.085","0.0787","","","0.2115","0.2229","","","","","","1.119","","","","has coordinates,has disorder","227272","2020-10-21","18:00:00",""
"4035861","16.1345","0.0009","17.9552","0.0008","13.8025","0.0007","90","","90","","90","","3998.6","0.4","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H36 I3 N16 Na3 O6 -","- C28 H36 I3 N16 Na3 O6 -","- C112 H144 I12 N64 Na12 O24 -","4","0.5","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0288","0.0226","","","0.0513","0.0547","","","","","","1.035","","","","has coordinates","227273","2020-10-21","18:00:00",""
"4035862","8.176","0.003","12.399","0.004","7.156","0.002","90","","95.259","0.009","90","","722.4","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","","1.54178","CuKα","","0.0657","0.0545","","","0.1417","0.164","","","","","","1.126","","","","has coordinates","227274","2020-10-21","18:00:00",""
"4035863","7.008","0.008","13.971","0.015","7.564","0.009","90","","108.474","0.019","90","","702.4","1.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0587","0.0465","","","0.0982","0.1035","","","","","","1.159","","","","has coordinates,has disorder","227275","2020-10-21","18:00:00",""
"4035864","9.381","0.007","12.286","0.008","6.591","0.005","90","","93.71","0.03","90","","758.1","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N4 O -","- C7 H8 N4 O -","- C28 H32 N16 O4 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.1309","0.0561","","","0.0972","0.1159","","","","","","0.919","","","","has coordinates","227276","2020-10-21","18:00:00",""
"4035865","3.816","0.01","13.38","0.03","14.05","0.03","90","","96.91","0.04","90","","712","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0362","0.0289","","","0.0653","0.0683","","","","","","1.059","","","","has coordinates","227277","2020-10-21","18:00:00",""
"4035866","8.095","0.013","13.644","0.014","7.107","0.008","90","","114.09","0.04","90","","716.6","1.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","","1.54184","CuKα","","0.0335","0.0314","","","0.0734","0.0743","","","","","","1.071","","","","has coordinates","227278","2020-10-21","18:00:00",""
"4035867","3.8226","0.0005","7.1075","0.0012","27.806","0.004","90","","90","","90","","755.46","0.19","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 N4 O -","- C7 H8 N4 O -","- C28 H32 N16 O4 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.043","0.0403","","","0.1067","0.1089","","","","","","1.074","","","","has coordinates","227279","2020-10-21","18:00:00",""
"4035868","18.322","0.012","5.73","0.004","19.274","0.013","90","","108.83","0.017","90","","1915","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C76 H112 N8 O16 -","4","1","","Dumonteil, Geoffrey; Bhattacharjee, Nicholus; Angelici, Gaetano; Roy, Olivier; Faure, Sophie; Jouffret, Laurent; Jolibois, Franck; Perrin, Lionel; Taillefumier, Claude","Exploring the Conformation of Mixed Cis- Trans α,β-Oligopeptoids: A Joint Experimental and Computational Study.","The Journal of organic chemistry","2018","83","12","6382","6396","10.1021/acs.joc.8b00606","","","0.71073","MoKα","","0.181","0.0978","","","0.2205","0.2674","","","","","","1.011","","","","has coordinates","227280","2020-10-21","18:00:00",""
"4035869","21.4018","0.0011","9.5715","0.0004","19.6398","0.001","90","","110.448","0.006","90","","3769.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","D3-trishomocubane","rearranged cage ketone","","- C28 H26 O -","- C28 H26 O -","- C224 H208 O8 -","8","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","Molecular Acrobatics in Polycyclic Frames: Synthesis of Functionalized D<sub>3</sub>-Trishomocubanes via the Rearrangement Approach.","The Journal of organic chemistry","2018","83","12","6315","6324","10.1021/acs.joc.8b00449","","x-ray","0.71073","MoKα","","0.043","0.039","","","0.0931","0.0966","","","","","","1.043","","","","has coordinates","227281","2020-10-21","18:00:00",""
"4035870","7.3329","0.0005","11.999","0.0008","13.2043","0.0009","90","","97.019","0.006","90","","1153.11","0.14","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","Molecular Acrobatics in Polycyclic Frames: Synthesis of Functionalized D<sub>3</sub>-Trishomocubanes via the Rearrangement Approach.","The Journal of organic chemistry","2018","83","12","6315","6324","10.1021/acs.joc.8b00449","","x-ray","0.71073","MoKα","","0.0643","0.0459","","","0.1016","0.1104","","","","","","1.057","","","","has coordinates","227282","2020-10-21","18:00:00",""
"4035871","16.8592","0.0013","9.1588","0.0007","14.7664","0.0012","90","","107.041","0.001","90","","2180","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B2 Br5 F4 N5 -","- C14 H12 B2 Br5 F4 N5 -","- C56 H48 B8 Br20 F16 N20 -","4","1","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.061","0.04","","","0.0979","0.1084","","","","","","1.0245","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035872","6.275","0.005","10.748","0.008","11.424","0.009","79.967","0.009","85.892","0.009","85.819","0.01","755.3","1","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 B2 Br5 F4 N8 -","- C20 H24 B2 Br5 F4 N8 -","- C20 H24 B2 Br5 F4 N8 -","1","0.5","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.0757","0.0454","","","0.1001","0.1138","","","","","","1.0194","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035873","17.745","0.003","8.6108","0.0016","19.469","0.004","90","","110.002","0.002","90","","2795.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 B2 Br2 F4 N6 -","- C24 H27 B2 Br2 F4 N6 -","- C96 H108 B8 Br8 F16 N24 -","4","1","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.0835","0.0541","","","0.1417","0.1608","","","","","","1.0419","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035874","7.097","0.002","8.061","0.003","24.763","0.008","90","","94.572","0.004","90","","1412.2","0.8","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 B2 F4 N6 -","- C26 H26 B2 F4 N6 -","- C52 H52 B4 F8 N12 -","2","0.5","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","","0.71073","MoKα","","0.1228","0.0776","","","0.1993","0.2277","","","","","","1.025","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035875","7.0907","0.001","16.573","0.002","8.3518","0.0012","90","","111.312","0.002","90","","914.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 B2 F4 N4 S2 -","- C18 H12 B2 F4 N4 S2 -","- C36 H24 B4 F8 N8 S4 -","2","0.5","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.0601","0.0528","","","0.1308","0.1345","","","","","","1.112","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035876","10.4612","0.0005","11.1373","0.0004","13.829","0.0005","96.925","0.003","112.16","0.004","98.871","0.003","1445.95","0.11","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N9 O3 S2 -","- C31 H21 N9 O3 S2 -","- C62 H42 N18 O6 S4 -","2","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0739","0.0499","","","0.1055","0.1175","","","","","","1.026","","","","has coordinates","227284","2020-10-21","18:00:00",""
"4035877","7.975","0.003","22.255","0.007","20.676","0.007","90","","98.222","0.006","90","","3632","2","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 N9 O8 S2 -","- C34 H31 N9 O8 S2 -","- C136 H124 N36 O32 S8 -","4","2","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.1196","0.097","","","0.2257","0.2462","","","","","","1.08","","","","has coordinates,has disorder","227285","2020-10-21","18:00:00",""
"4035878","23.9941","0.00019","11.7595","0.00008","24.6196","0.00016","90","","90","","90","","6946.63","0.09","173.2","0.3","173.2","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H25 N11 O7 S -","- C34 H25 N11 O7 S -","- C272 H200 N88 O56 S8 -","8","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","x-ray","1.54184","CuKα","","0.0638","0.0445","","","0.1125","0.1246","","","","","","1.022","","","","has coordinates","227286","2020-10-21","18:00:00",""
"4037530","10.262","0.004","11.055","0.004","14.296","0.005","77.026","0.012","86.941","0.015","88.442","0.017","1578","1","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C39 H35 N3 O -","- C39 H35 N3 O -","- C78 H70 N6 O2 -","2","1","","Mishra, Shachi; Awasthi, Pallavi; Singh, Jagriti; Gupta, Rahul Kumar; Singh, Vikram; Kant, Ruchir; Jeet, Ram; Goswami, Debabrata; Goel, Atul","White Light Induced E/Z-Photoisomerization of Diphenylamine-Tethered Fluorescent Stilbene Derivatives: Synthesis, Photophysical, and Electrochemical Investigation.","The Journal of organic chemistry","2018","83","7","3669","3678","10.1021/acs.joc.8b00033","","","0.71075","MoKα","","0.1621","0.0607","","","0.1393","0.175","","","","","","0.861","","","","has coordinates","236284","2020-10-21","18:00:00",""
"4037531","9.761","0.003","16.583","0.005","15.105","0.006","90","","90.036","0.008","90","","2445","1.4","293","2","293","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O4 -","- C28 H33 N O4 -","- C112 H132 N4 O16 -","4","1","","Vaishanv, Narendra Kumar; Gupta, Ashis Kumar; Kant, Ruchir; Mohanan, Kishor","Fluoride-Mediated α-Selective 1,6-Conjugate Addition of Allenic Esters to p-Quinone Methides.","The Journal of organic chemistry","2018","83","15","8759","8767","10.1021/acs.joc.8b01074","","","0.71075","MoKα","","0.0824","0.0497","","","0.1207","0.1321","","","","","","1.029","","","","has coordinates","236286","2020-10-21","18:00:00",""
"4037532","13.235","0.005","14.871","0.004","14.848","0.005","90","","108.269","0.006","90","","2775","1.6","293","2","293","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 O6 -","- C30 H40 O6 -","- C120 H160 O24 -","4","1","","Vaishanv, Narendra Kumar; Gupta, Ashis Kumar; Kant, Ruchir; Mohanan, Kishor","Fluoride-Mediated α-Selective 1,6-Conjugate Addition of Allenic Esters to p-Quinone Methides.","The Journal of organic chemistry","2018","83","15","8759","8767","10.1021/acs.joc.8b01074","","","0.71075","MoKα","","0.1409","0.0708","","","0.1837","0.2144","","","","","","0.99","","","","has coordinates","236287","2020-10-21","18:00:00",""
"4037533","9.037","0.006","27.363","0.016","10.344","0.006","90","","100.635","0.013","90","","2514","3","293","2","293","2","","","","","","","see text","4","C 1 c 1","C -2yc","9","","","","- C26 H30 N6 O -","- C26 H30 N6 O -","- C104 H120 N24 O4 -","4","1","","Singh, Kartikey; Sharma, Gaurav; Shukla, Manjulika; Kant, Ruchir; Chopra, Sidharth; Shukla, Sanjeev K.; Tripathi, Rama P.","Metal- and Phenol-Free Synthesis of Biaryl Ethers: Access to Dibenzobistriazolo-1,4,7-oxadiazonines and Vancomycin-Like Glyco-Macrocycles as Antibacterial Agents.","The Journal of organic chemistry","2018","83","24","14882","14893","10.1021/acs.joc.8b01631","","","0.71075","MoKα","","0.1053","0.055","","","0.1253","0.1415","","","","","","0.904","","","","has coordinates","236289","2020-10-21","18:00:00",""
"4037535","14.4289","0.0012","9.7749","0.0009","35.171","0.003","90","","99.897","0.004","90","","4886.7","0.7","100","","100","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C15 H27 N O3 -","- C15 H27 N O3 -","- C180 H324 N12 O36 -","12","6","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0416","0.0386","","","0.0942","0.0956","","","","","","1.052","","","","has coordinates","236293","2020-10-21","18:00:00",""
"4037536","8.262","0.0009","8.262","0.0009","27.103","0.003","90","","90","","90","","1850.1","0.4","100","","100","","","","","","","","see text","2","P 41 21 2","P 4abw 2nw","92","","","","- C20 H38 -","- C20 H38 -","- C80 H152 -","4","0.5","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0331","0.03","","","0.0804","0.082","","","","","","1.095","","","","has coordinates","236295","2020-10-21","18:00:00",""
"4037537","29.435","0.002","18.8296","0.0012","20.487","0.003","90","","132.126","0.001","90","","8421.6","1.5","100","","100","","","","","","","","see text","4","C 1 2 1","C 2y","5","","","","- C22 H29 O P -","- C22 H29 O P -","- C352 H464 O16 P16 -","16","4","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0412","0.036","","","0.08","0.0821","","","","","","1.066","","","","has coordinates","236297","2020-10-21","18:00:00",""
"4037538","12.625","0.003","18.139","0.003","27.006","0.005","90","","90","","90","","6185","2","100","","100","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H39 O P -","- C20 H39 O P -","- C240 H468 O12 P12 -","12","3","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0483","0.0437","","","0.1085","0.1112","","","","","","1.043","","","","has coordinates,has disorder","236299","2020-10-21","18:00:00",""
"4037539","19.146","0.016","10.517","0.008","23.277","0.017","90","","90.669","0.015","90","","4687","6","293","2","293","2","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H22 F4 L N2 O -","- C25.5 H22 Cl F4 N2 O -","- C204 H176 Cl8 F32 N16 O8 -","8","1","","Gupta, Ekta; Nair, Sindoori R.; Kant, Ruchir; Mohanan, Kishor","Additive-Free Three-Component Synthesis of Spiro-isoxazolidine-oxindoles Employing Trifluorodiazoethane.","The Journal of organic chemistry","2018","83","23","14811","14819","10.1021/acs.joc.8b02504","","","0.71075","MoKα","","0.1644","0.0845","","","0.2074","0.2435","","","","","","0.919","","","","has coordinates","236301","2020-10-21","18:00:00",""
"4037540","9.3196","0.0014","25.211","0.003","10.6153","0.0013","90","","108.592","0.015","90","","2364","0.6","293","2","293","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 F3 N2 O3 -","- C27 H23 F3 N2 O3 -","- C108 H92 F12 N8 O12 -","4","1","","Gupta, Ekta; Nair, Sindoori R.; Kant, Ruchir; Mohanan, Kishor","Additive-Free Three-Component Synthesis of Spiro-isoxazolidine-oxindoles Employing Trifluorodiazoethane.","The Journal of organic chemistry","2018","83","23","14811","14819","10.1021/acs.joc.8b02504","","","0.71075","MoKα","","0.2677","0.1063","","","0.2524","0.3931","","","","","","0.929","","","","has coordinates","236302","2020-10-21","18:00:00",""
"4038945","13.3732","0.0007","13.3732","0.0007","10.8212","0.0007","90","","90","","120","","1676.01","0.16","150","","150","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19 -nonaene-4,5,11,12,17,18-hexol unknown solvate","","- C20 H14 O6 -","- C20 H14 O6 -","- C40 H28 O12 -","2","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.0493","0.0488","","","0.1623","0.1635","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","260362","2021-01-02","03:47:05",""