# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-27T20:25:29+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 = 81 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
"4031762","6.5466","0.0002","9.2228","0.0003","20.4337","0.0007","90","","98.265","0.002","90","","1220.93","0.07","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C62 H54 N6 O6 -","2","1","","Dai, Wei; Jiang, Xiao-Li; Tao, Ji-Yu; Shi, Feng","Application of 3-Methyl-2-vinylindoles in Catalytic Asymmetric Povarov Reaction: Diastereo- and Enantioselective Synthesis of Indole-Derived Tetrahydroquinolines.","The Journal of organic chemistry","2016","81","1","185","192","10.1021/acs.joc.5b02476","","","1.54178","CuKα","","0.0692","0.0685","","","0.201","0.2015","","","","","","1.105","","","","has coordinates","175798","2020-10-21","18:00:00",""
"4031763","7.65835","0.00018","7.90588","0.00018","24.3938","0.0007","88.9061","0.0007","82.0333","0.0007","79.5504","0.0007","1438.41","0.06","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Br N O4 S -","- C33 H30 Br N O4 S -","- C66 H60 Br2 N2 O8 S2 -","2","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","","0.0373","","","","0.1071","","","","","","1.114","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031764","19.0086","0.0004","8.50881","0.00015","30.3715","0.0006","90","","103.946","0.0007","90","","4767.52","0.16","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 N O3 S -","- C27 H29 N O3 S -","- C216 H232 N8 O24 S8 -","8","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","0.0412","0.0378","","","0.0954","0.0972","","","","","","1.053","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031765","12.2761","0.0003","7.87636","0.00018","16.8396","0.0004","90","","92.7067","0.0008","90","","1626.42","0.07","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","2","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","0.0545","0.0397","","","0.0901","0.1008","","","","","","1.09","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4031766","8.6333","0.0003","8.8406","0.0003","12.4265","0.0004","96.9079","0.0007","105.026","0.0008","106.985","0.0008","856.1","0.05","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","","0.0513","","","","0.1468","","","","","","1.216","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031767","12.393","0.0003","11.2794","0.0002","15.7786","0.0003","90","","100.164","0.0007","90","","2171.01","0.08","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C104 H108 N4 O12 S4 -","4","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","","0.0439","","","","0.113","","","","","","1.132","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031768","14.7965","0.001","15.5327","0.001","16.1201","0.0011","92.062","0.006","93.177","0.006","92.837","0.006","3691.9","0.4","93","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H50 B F20 N2 O4 -","- C73.9994 H49.9986 B F20 N2 O4 -","- C147.999 H99.9972 B2 F40 N4 O8 -","2","1","","Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro","Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene.","The Journal of organic chemistry","2016","81","1","137","145","10.1021/acs.joc.5b02425","","","1.54187","CuKα","","0.163","0.0757","","","0.1856","0.2468","","","","","","1.019","","","","has coordinates,has disorder","175800","2020-10-21","18:00:00",""
"4031769","10.5157","0.0007","10.6941","0.0007","15.312","0.001","90","","106.942","0.004","90","","1647.19","0.19","93","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N2 O4 -","- C44 H36 N2 O4 -","- C88 H72 N4 O8 -","2","0.5","","Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro","Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene.","The Journal of organic chemistry","2016","81","1","137","145","10.1021/acs.joc.5b02425","","","1.54187","CuKα","","0.0496","0.0356","","","0.1094","0.1203","","","","","","0.917","","","","has coordinates","175800","2020-10-21","18:00:00",""
"4031770","22.6937","0.0015","25.4639","0.0017","31.677","0.002","90","","90","","90","","18305","2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C101 H57 B2 F40 N2 O4 -","- C89.7778 H50.6667 B1.77778 F35.5556 N1.77778 O3.55556 -","- C808 H456 B16 F320 N16 O32 -","9","1.125","","Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro","Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene.","The Journal of organic chemistry","2016","81","1","137","145","10.1021/acs.joc.5b02425","","","1.54187","CuKα","","0.05","0.039","","","0.1365","0.1475","","","","","","1.185","","","","has coordinates","175800","2020-10-21","18:00:00",""
"4031771","8.912","0.0008","5.8904","0.0006","18.4113","0.0016","90","","102.422","0.003","90","","943.88","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H16 Br2 N2 O3 S -","- C19 H16 Br2 N2 O3 S -","- C38 H32 Br4 N4 O6 S2 -","2","1","","Cheng, Yi An; Yu, Wesley Zongrong; Yeung, Ying-Yeung","An unexpected Bromolactamization of Olefinic Amides Using a Three-Component Co-catalyst System.","The Journal of organic chemistry","2016","81","2","545","552","10.1021/acs.joc.5b02390","","","0.71073","MoKα","","0.024","0.0203","","","0.0385","0.0393","","","","","","1.035","","","","has coordinates","175795","2020-10-21","18:00:00",""
"4031772","16.66","0.009","6.124","0.004","17.274","0.01","90","","106.504","0.012","90","","1689.8","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br N O3 S -","- C17 H16 Br N O3 S -","- C68 H64 Br4 N4 O12 S4 -","4","1","","Cheng, Yi An; Yu, Wesley Zongrong; Yeung, Ying-Yeung","An unexpected Bromolactamization of Olefinic Amides Using a Three-Component Co-catalyst System.","The Journal of organic chemistry","2016","81","2","545","552","10.1021/acs.joc.5b02390","","","0.71073","MoKα","","0.0461","0.0404","","","0.1098","0.114","","","","","","1.041","","","","has coordinates","175795","2020-10-21","18:00:00",""
"4031809","8.008","0.005","9.026","0.005","10.852","0.005","94.666","0.005","99.028","0.005","100.641","0.005","756.4","0.7","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C32 H32 N4 O10 -","2","1","","Das, Debapratim; Biswas, Aniruddha; Karmakar, Ujjwal; Chand, Santanu; Samanta, Rajarshi","C6-Selective Direct Alkylation of Pyridones with Diazo Compounds under Rh(III)-Catalyzed Mild Conditions.","The Journal of organic chemistry","2016","81","3","842","848","10.1021/acs.joc.5b02349","","","0.71069","MoKα","","0.0716","0.0547","","","0.1528","0.1653","","","","","","1.096","","","","has coordinates","177420","2020-10-21","18:00:00",""
"4031810","10.977","0.005","9.936","0.005","16.271","0.005","90","0.005","100.318","0.005","90","0.005","1745.9","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Das, Debapratim; Biswas, Aniruddha; Karmakar, Ujjwal; Chand, Santanu; Samanta, Rajarshi","C6-Selective Direct Alkylation of Pyridones with Diazo Compounds under Rh(III)-Catalyzed Mild Conditions.","The Journal of organic chemistry","2016","81","3","842","848","10.1021/acs.joc.5b02349","","","0.71073","MoKα","","0.0961","0.0522","","","0.1022","0.117","","","","","","1.026","","","","has coordinates","177420","2020-10-21","18:00:00",""
"4031811","12.8653","0.0012","9.0875","0.0009","15.0355","0.0014","90","","115.014","0.001","90","","1593","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Xia, Xiao-Feng; Zhu, Su-Li; Chen, Chao; Wang, Haijun; Liang, Yong-Min","Silver-Catalyzed Decarboxylative Addition/Cyclization of Activated Alkenes with Aliphatic Carboxylic Acids.","The Journal of organic chemistry","2016","81","3","1277","1284","10.1021/acs.joc.5b02594","","","0.71073","MoKα","","0.0448","0.038","","","0.1069","0.1129","","","","","","1.057","","","","has coordinates","177419","2020-10-21","18:00:00",""
"4031812","11.2623","0.0002","8.9195","0.0001","12.9754","0.0009","90","","114.397","0.008","90","","1187.04","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H34 O4 Si -","- C25 H34 O4 Si -","- C50 H68 O8 Si2 -","2","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54187","CuKα","","0.0602","0.0502","","","0.1154","0.1402","","","","","","1.111","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031813","7.7056","0.0001","31.3414","0.0006","12.9403","0.0009","90","","92.142","0.007","90","","3123","0.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 O4 Si2 -","- C30 H50 O4 Si2 -","- C120 H200 O16 Si8 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54178","CuKα","","0.0775","0.06","","","0.1564","0.1765","","","","","","1.099","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031814","7.702","0.0001","13.1321","0.0002","27.4999","0.0019","90","","90","","90","","2781.4","0.2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 O4 Si2 -","- C28 H44 O4 Si2 -","- C112 H176 O16 Si8 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54178","CuKα","","0.0375","0.0326","","","0.0727","0.0861","","","","","","1.143","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031815","9.3611","0.0003","10.4294","0.0004","12.5882","0.0009","91.067","0.006","109.523","0.008","106.48","0.007","1101.97","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H34 O5 -","- C25 H34 O5 -","- C50 H68 O10 -","2","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54178","CuKα","","0.0742","0.0543","","","0.1403","0.1716","","","","","","1.061","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031816","7.7133","0.0001","12.5483","0.0002","25.0132","0.0017","90","","90","","90","","2421","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O4 Si -","- C23 H36 O4 Si -","- C92 H144 O16 Si4 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54187","CuKα","","0.0646","0.0542","","","0.1417","0.1678","","","","","","1.228","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031817","10.07","0.0013","12.3582","0.0016","17.963","0.002","96.914","0.004","102.292","0.004","102.701","0.004","2097.7","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","1a in manuscript","","","- C40 H46 Cl4 N4 O0.5 Si2 -","- C40 H46 Cl4 N4 O0.235 Si2 -","- C80 H92 Cl8 N8 O0.47 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.1329","0.0717","","","0.1529","0.1875","","","","","","1.069","","","","has coordinates","177422","2020-10-21","18:00:00",""
"4031818","10.281","0.003","12.582","0.004","17.968","0.005","96.233","0.006","103.75","0.007","102.897","0.006","2168.4","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","1b in manuscript","","","- C40 H46 Br4 N4 O0.5 Si2 -","- C40 H46 Br4 N4 O0.123 Si2 -","- C80 H92 Br8 N8 O0.246 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.059","0.033","","","0.0696","0.0793","","","","","","1.031","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031819","10.1041","0.0012","12.3922","0.0014","17.938","0.002","97.224","0.002","102.464","0.002","101.81","0.002","2112.5","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","6a in manuscript","","","- C40 H48.46 Cl4 N4 O0.23 Si2 -","- C40 H48 Cl4 N4 O0.229 Si2 -","- C80 H96 Cl8 N8 O0.458 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.1165","0.0584","","","0.1174","0.1418","","","","","","1.043","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031820","7.2","0.003","8.974","0.004","17.429","0.007","81.59","0.011","82.046","0.012","77.789","0.011","1082.1","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","6b in manuscript","","","- C40 H48 Br4 N4 Si2 -","- C40 H48 Br4 N4 Si2 -","- C40 H48 Br4 N4 Si2 -","1","0.5","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.2023","0.1212","","","0.2871","0.3298","","","","","","1.11","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031821","8.777","0.002","8.817","0.002","29.942","0.007","88.066","0.006","87.812","0.006","76.754","0.006","2253.1","0.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","10 in manuscript","","","- C41 H49 Cl7 N4 Si2 -","- C41 H49 Cl7 N4 Si2 -","- C82 H98 Cl14 N8 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.1399","0.0805","","","0.1482","0.1765","","","","","","1.073","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031822","8.6568","0.001","14.0971","0.0017","17.111","0.002","77.906","0.003","85.32","0.003","87.277","0.004","2034","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","11 in manuscript","","","- C40 H46 Cl4 N4 Si2 -","- C40 H46 Cl4 N4 Si2 -","- C80 H92 Cl8 N8 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.0934","0.0538","","","0.1145","0.1302","","","","","","1.047","","","","has coordinates","177422","2020-10-21","18:00:00",""
"4031823","10.2142","0.0004","10.2142","0.0004","17.8299","0.0007","90","","90","","120","","1610.97","0.11","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- C26 H22 O5 -","- C26 H22 O5 -","- C78 H66 O15 -","3","1","","Yuan, Xiao; Lin, Lili; Chen, Weiliang; Wu, Wangbin; Liu, Xiaohua; Feng, Xiaoming","Synthesis of Chiral Tetrahydrofurans via Catalytic Asymmetric [3 + 2] Cycloaddition of Heterosubstituted Alkenes with Oxiranes.","The Journal of organic chemistry","2016","81","3","1237","1243","10.1021/acs.joc.5b02524","","x-ray","1.54184","CuKα","","0.075","0.0738","","","0.1613","0.1637","","","","","","1.095","","","","has coordinates","177418","2020-10-21","18:00:00",""
"4031824","12.6738","0.0003","19.3375","0.0005","20.0114","0.0007","88.963","0.002","72.912","0.001","75.267","0.001","4525.2","0.2","150","","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C91 H104 N34 O11 -","- C91 H104 N34 O11 -","- C182 H208 N68 O22 -","2","1","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.0516","0.0478","","","0.1365","0.1409","","","","","","1.023","","","","has coordinates,has disorder","182506","2020-10-21","18:00:00",""
"4031825","28.7618","0.0017","11.6367","0.0007","35.138","0.002","90","","90","","90","","11760.4","1.2","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H39 N15 O3 -","- C39 H39 N15 O3 -","- C312 H312 N120 O24 -","8","2","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.091","0.0645","","","0.1888","0.2146","","","","","","1.024","","","","has coordinates","182506","2020-10-21","18:00:00",""
"4031826","12.4986","0.0009","14.7043","0.001","20.3073","0.0013","70.131","0.004","74.396","0.004","72.114","0.004","3283.4","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 N15 O3 -","- C42 H45 N15 O3 -","- C84 H90 N30 O6 -","2","1","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.1307","0.0778","","","0.2234","0.2629","","","","","","0.993","","","","has coordinates","182506","2020-10-21","18:00:00",""
"4031827","29.665","0.006","9.049","0.002","31.666","0.006","90","","99.09","0.006","90","","8394","3","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 N15 O3 -","- C42 H45 N15 O3 -","- C168 H180 N60 O12 -","4","1","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.1538","0.0604","","","0.0947","0.1048","","","","","","0.989","","","","has coordinates","182506","2020-10-21","18:00:00",""
"4031828","10.0416","0.0005","12.3341","0.0006","14.3639","0.0007","99.687","0.003","97.512","0.003","104.946","0.003","1665.77","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Br N3 O S2 -","- C38 H30 Br N3 O S2 -","- C76 H60 Br2 N6 O2 S4 -","2","1","","Bodedla, Govardhana Babu; Justin Thomas, K. R.; Fan, Miao-Syuan; Ho, Kuo-Chuan","Benzimidazole-Branched Isomeric Dyes: Effect of Molecular Constitution on Photophysical, Electrochemical, and Photovoltaic Properties.","The Journal of organic chemistry","2016","81","2","640","653","10.1021/acs.joc.5b02590","","","0.71073","MoKα","","0.2493","0.0534","","","0.1326","0.2249","","","","","","0.877","","","","has coordinates","175694","2020-10-21","18:00:00",""
"4031829","7.123","0.002","10.302","0.003","17.193","0.005","88.54","0.004","79.136","0.003","76.363","0.004","1203.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,7-bis(5-(trimethylsilyl)thiophen-2-yl)-5,6-diycanobenzo[c][1,2,5]thiadiazole","","- C22 H22 N4 S3 Si2 -","- C22 H22 N4 S3 Si2 -","- C44 H44 N8 S6 Si4 -","2","1","","Zhang, Junxiang; Parker, Timothy C.; Chen, Wayne; Williams, LaRita; Khrustalev, Victor N.; Jucov, Evgheni V.; Barlow, Stephen; Timofeeva, Tatiana V.; Marder, Seth R.","C-H-Activated Direct Arylation of Strong Benzothiadiazole and Quinoxaline-Based Electron Acceptors.","The Journal of organic chemistry","2016","81","2","360","370","10.1021/acs.joc.5b02551","","","0.71073","MoKα","","0.0693","0.0618","","","0.1744","0.1783","","","","","","1.015","","","","has coordinates","175695","2020-10-21","18:00:00",""
"4031830","20.099","0.006","11.717","0.004","7.027","0.002","90","","90","","90","","1654.9","0.9","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","4,7-bis(5-methylthiophen-2-yl)-5,6-diycanobenzo[c][1,2,5]thiadiazole","","- C18 H10 N4 S3 -","- C18 H10 N4 S3 -","- C72 H40 N16 S12 -","4","1","","Zhang, Junxiang; Parker, Timothy C.; Chen, Wayne; Williams, LaRita; Khrustalev, Victor N.; Jucov, Evgheni V.; Barlow, Stephen; Timofeeva, Tatiana V.; Marder, Seth R.","C-H-Activated Direct Arylation of Strong Benzothiadiazole and Quinoxaline-Based Electron Acceptors.","The Journal of organic chemistry","2016","81","2","360","370","10.1021/acs.joc.5b02551","","","0.71073","MoKα","","0.0379","0.0318","","","0.0763","0.0791","","","","","","1.053","","","","has coordinates","175695","2020-10-21","18:00:00",""
"4031831","30.3461","0.0012","5.8463","0.0002","34.0783","0.0013","90","","96.57","0.0019","90","","6006.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(S)-3-((2R,5S)-2-((S)-(4-bromophenyl)((4-iodophenyl)amino)methyl) -5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one","","- C33 H29 Br F I N2 O4 -","- C33 H29 Br F I N2 O4 -","- C264 H232 Br8 F8 I8 N16 O32 -","8","4","","Limanto, John; Yoshikawa, Naoki; Reamer, Robert A.; Tan, Lushi; Brunskill, Andrew; Reibarkh, Mikhail","Promotion of a Ti-Mediated Mannich Reaction by a Proton Source.","The Journal of organic chemistry","2016","81","2","723","728","10.1021/acs.joc.5b02452","","","1.54178","CuKα","","0.0489","0.0446","","","0.0988","0.1014","","","","","","1.056","","","","has coordinates,has disorder","175696","2020-10-21","18:00:00",""
"4031832","5.7152","0.0003","15.4683","0.0007","22.7213","0.001","81.5151","0.0014","89.504","0.0016","89.5445","0.0014","1986.56","0.16","100","2","100","2","","","","","","","","7","P 1","P 1","1","","(S)-3-((2R,5S)-5-(4-fluorophenyl)-2-((S)-((4-iodophenyl)amino) (4-((trimethylsilyl)oxy) phenyl)methyl)-5-((trimethylsilyl)oxy) pentanoyl)-4-phenyloxazolidin-2-one","","- C39 H46 F I N2 O5 Si2 -","- C39 H46 F I N2 O5 Si2 -","- C78 H92 F2 I2 N4 O10 Si4 -","2","2","","Limanto, John; Yoshikawa, Naoki; Reamer, Robert A.; Tan, Lushi; Brunskill, Andrew; Reibarkh, Mikhail","Promotion of a Ti-Mediated Mannich Reaction by a Proton Source.","The Journal of organic chemistry","2016","81","2","723","728","10.1021/acs.joc.5b02452","","","1.54178","CuKα","","0.0571","0.0564","","","0.1474","0.1481","","","","","","1.047","","","","has coordinates,has disorder","175697","2020-10-21","18:00:00",""
"4031833","5.4629","0.0005","48.1","0.004","10.9336","0.001","90","","97.337","0.002","90","","2849.4","0.4","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H28 O9 -","- C34 H28 O9 -","- C136 H112 O36 -","4","2","","Lu, Tai-Ni; Chang, Che-Chien","Synthesis of 3-Deoxy-l-ketohexoses through Group Transfer.","The Journal of organic chemistry","2016","81","2","469","475","10.1021/acs.joc.5b02257","","","0.71073","MoKα","","0.0448","0.0358","","","0.0722","0.0779","","","","","","1.019","","","","has coordinates","175698","2020-10-21","18:00:00",""
"4031834","6.5358","0.0002","15.1093","0.0004","11.5347","0.0004","90","","90.698","0.002","90","","1138.98","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","","Han, Su Jin; Kim, Hyun Tae; Joo, Jung Min","Direct C-H Alkenylation of Functionalized Pyrazoles.","The Journal of organic chemistry","2016","81","2","689","698","10.1021/acs.joc.5b02398","","","0.71073","MoKα","","0.0579","0.0453","","","0.1033","0.1116","","","","","","1.052","","","","has coordinates","175699","2020-10-21","18:00:00",""
"4031835","6.8771","0.0001","12.2722","0.0002","15.4408","0.0003","73.338","0.001","84.595","0.001","83.906","0.001","1238.61","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","2","","Han, Su Jin; Kim, Hyun Tae; Joo, Jung Min","Direct C-H Alkenylation of Functionalized Pyrazoles.","The Journal of organic chemistry","2016","81","2","689","698","10.1021/acs.joc.5b02398","","","0.71073","MoKα","","0.0482","0.0431","","","0.1096","0.1144","","","","","","1.055","","","","has coordinates","175700","2020-10-21","18:00:00",""
"4031836","31.426","0.003","13.9013","0.0012","21.3552","0.0017","90","","105.307","0.002","90","","8998.3","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H51 O10 -","- C48 H52 O10 -","- C384 H416 O80 -","8","1","","Li, Xia; Han, Jianguang; Jones, Alexander X.; Lei, Xiaoguang","Chiral Boron Complex-Promoted Asymmetric Diels-Alder Cycloaddition and Its Application in Natural Product Synthesis.","The Journal of organic chemistry","2016","81","2","458","468","10.1021/acs.joc.5b02248","","","0.71073","MOKα","","0.1284","0.0603","","","0.1311","0.1434","","","","","","1.019","","","","has coordinates","175701","2020-10-21","18:00:00",""
"4031837","13.2491","0.0008","13.2491","0.0008","16.54","0.003","90","","90","","90","","2903.4","0.6","120","","120","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C24 F16 S8 -","- C24 F16 S8 -","- C96 F64 S32 -","4","0.5","","Skowron, Pierre-Thomas; Dumartin, Melissa; Jeamet, Emeric; Perret, Florent; Gourlaouen, Christophe; Baudouin, Anne; Fenet, Bernard; Naubron, Jean-Valère; Fotiadu, Frédéric; Vial, Laurent; Leclaire, Julien","On-Demand Cyclophanes: Substituent-Directed Self-Assembling, Folding, and Binding.","The Journal of organic chemistry","2016","81","2","654","661","10.1021/acs.joc.5b02605","","x-ray","1.54184","CuKα","","0.0718","0.0637","","0.139","0.1242","0.139","","","","","","1.0281","","","","has coordinates","175702","2020-10-21","18:00:00",""
"4031838","15.219","0.008","26.621","0.013","18.6197","0.001","90","","98.516","0.009","90","","7461","5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H93 B5 Cl4 O10 -","- C68 H93 B5 Cl4 O10 -","- C272 H372 B20 Cl16 O40 -","4","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.2738","0.1669","","","0.421","0.4675","","","","","","1.273","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031839","16.328","0.005","17.144","0.004","18.08","0.006","90","","115.848","0.009","90","","4555","2","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C65 H50 -","- C65 H50 -","- C260 H200 -","4","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.0612","0.0457","","","0.1216","0.1328","","","","","","1.027","","","","has coordinates","175703","2020-10-21","18:00:00",""
"4031840","48.644","0.006","13.8778","0.001","32.023","0.003","90","","90","","90","","21618","4","93","","93","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C141.75 H124.5 Cl2.5 O0.5 -","- C141.75 H124.5 Cl2.5 O0.5001 -","- C1134 H996 Cl20 O4.0008 -","8","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.0539","0.0513","","","0.1234","0.1246","","","","","","1.16","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031841","14.1754","0.0002","14.9606","0.0009","16.7799","0.0009","82.903","0.014","68.783","0.009","69.216","0.009","3101.4","0.4","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C79.41 H61.41 Cl4.22 -","- C79.414 H61.414 Cl4.221 -","- C158.828 H122.828 Cl8.442 -","2","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.0863","0.065","","","0.1958","0.2064","","","","","","1.026","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031842","64.223","0.019","7.8923","0.0019","32.435","0.01","90","","117.265","0.007","90","","14614","7","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C86.5 H74.5 Cl7.5 -","- C86.5 H74.5 Cl7.5 -","- C692 H596 Cl60 -","8","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.1236","0.082","","","0.2273","0.2668","","","","","","0.969","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031843","15.6972","0.0004","37.1771","0.0011","12.9487","0.0004","90","","90","","90","","7556.6","0.4","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C50 H42 N2 O4 -","- C50 H42 N2 O4 -","- C400 H336 N16 O32 -","8","0.5","","Schmidt, Hauke C.; Spulber, Mariana; Neuburger, Markus; Palivan, Cornelia G.; Meuwly, Markus; Wenger, Oliver S.","Charge Transfer Pathways in Three Isomers of Naphthalene-Bridged Organic Mixed Valence Compounds.","The Journal of organic chemistry","2016","81","2","595","602","10.1021/acs.joc.5b02427","","","1.54178","CuKα","","0.0238","0.0237","","0.026","0.0259","0.0259","","","","","","1.1238","","","","has coordinates","175704","2020-10-21","18:00:00",""
"4031844","5.7685","0.0003","7.7643","0.0005","42.4758","0.0018","90","","91.849","0.007","90","","1901.43","0.18","93","","93","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H12 F3 N O2 S2 -","- C23 H12 F3 N O2 S2 -","- C92 H48 F12 N4 O8 S8 -","4","2","","Nishida, Jun-Ichi; Ohura, Hokuto; Kita, Yasuyuki; Hasegawa, Hiroyuki; Kawase, Takeshi; Takada, Noriyuki; Sato, Hiroyasu; Sei, Yoshihisa; Yamashita, Yoshiro","Phthalimide Compounds Containing a Trifluoromethylphenyl Group and Electron-Donating Aryl Groups: Color-Tuning and Enhancement of Triboluminescence.","The Journal of organic chemistry","2016","81","2","433","441","10.1021/acs.joc.5b02191","","","1.54187","CuKα","","","0.0417","","","","0.1031","","","","","","0.979","","","","has coordinates,has disorder","175705","2020-10-21","18:00:00",""
"4031845","5.90211","0.00011","7.66146","0.00014","40.2458","0.0007","90","","93.335","0.007","90","","1816.78","0.06","93","","93","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H14 F3 N O2 -","- C25 H14 F3 N O2 -","- C100 H56 F12 N4 O8 -","4","2","","Nishida, Jun-Ichi; Ohura, Hokuto; Kita, Yasuyuki; Hasegawa, Hiroyuki; Kawase, Takeshi; Takada, Noriyuki; Sato, Hiroyasu; Sei, Yoshihisa; Yamashita, Yoshiro","Phthalimide Compounds Containing a Trifluoromethylphenyl Group and Electron-Donating Aryl Groups: Color-Tuning and Enhancement of Triboluminescence.","The Journal of organic chemistry","2016","81","2","433","441","10.1021/acs.joc.5b02191","","","1.54187","CuKα","","0.0429","0.0404","","","0.1147","0.1162","","","","","","1.089","","","","has coordinates","175706","2020-10-21","18:00:00",""
"4031846","11.0496","0.0004","7.8673","0.0002","13.8104","0.0005","90","","103.673","0.004","90","","1166.52","0.07","100.05","0.1","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Cl N3 S3 -","- C8 H12 Cl N3 S3 -","- C32 H48 Cl4 N12 S12 -","4","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","The Reaction of DABCO with 4-Chloro-5H-1,2,3-dithiazoles: Synthesis and Chemistry of 4-[N-(2-Chloroethyl)piperazin-1-yl]-5H-1,2,3-dithiazoles.","The Journal of organic chemistry","2016","81","2","615","631","10.1021/acs.joc.5b02497","","","1.54184","CuKα","","0.0351","0.0348","","","0.0985","0.0987","","","","","","1.092","","","","has coordinates","175707","2020-10-21","18:00:00",""
"4031847","8.7052","0.0001","12.2035","0.0002","16.0777","0.0004","75.2788","0.0007","88.3395","0.0007","83.2541","0.0012","1640.49","0.05","183","","183","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C33 H31 Br I N3 O8 -","- C33 H31 Br I N3 O8 -","- C66 H62 Br2 I2 N6 O16 -","2","1","","Sokolovs, Igors; Suna, Edgars","Para-Selective Cu-Catalyzed C-H Aryloxylation of Electron-Rich Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","2","371","379","10.1021/acs.joc.5b02728","","","0.71073","MoKα","","0.043","0.034","","0.068","0.066","0.066","","","1.037","1.009","1.009","1.006","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4031848","7.6059","0.0018","8.2702","0.0018","13.411","0.003","92.066","0.002","102.639","0.005","101.285","0.004","804.5","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N4 O2 S -","- C18 H14 N4 O2 S -","- C36 H28 N8 O4 S2 -","2","1","","Xie, Wucheng; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed C7-Thiolation and Selenation of Indolines.","The Journal of organic chemistry","2016","81","2","396","403","10.1021/acs.joc.5b01943","","","0.71073","MoKα","","0.0331","0.0305","","","0.0826","0.084","","","","","","1.058","","","","has coordinates","175709","2020-10-21","18:00:00",""
"4031849","13.406","0.003","11.18","0.003","11.221","0.003","90","","95.914","0.004","90","","1672.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Wang, Xing; Chen, Rui-Xi; Wei, Zeng-Feng; Zhang, Chen-Yang; Tu, Hai-Yang; Zhang, Ai-Dong","Chemoselective Transformation of Diarylethanones to Arylmethanoic Acids and Diarylmethanones and Mechanistic Insights.","The Journal of organic chemistry","2016","81","1","238","249","10.1021/acs.joc.5b02506","","","0.71073","MoKα","","0.085","0.046","","","0.1328","0.168","","","","","","1.029","","","","has coordinates","175710","2020-10-21","18:00:00",""
"4031850","6.315","0.003","11.949","0.006","12.068","0.006","63.09","0.005","87.201","0.006","79.911","0.005","799","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 N2 S -","- C21 H14 N2 S -","- C42 H28 N4 S2 -","2","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.0898","0.0488","","","0.124","0.1466","","","","","","0.964","","","","has coordinates","175711","2020-10-21","18:00:00",""
"4031851","11.103","0.007","11.545","0.007","18.556","0.012","90","","98.521","0.005","90","","2352","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 B F2 N2 O S2 -","- C28 H19 B F2 N2 O S2 -","- C112 H76 B4 F8 N8 O4 S8 -","4","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.0762","0.0472","","","0.1232","0.1444","","","","","","1.044","","","","has coordinates","175712","2020-10-21","18:00:00",""
"4031852","11.015","0.01","19.543","0.017","11.98","0.01","90","","116.043","0.01","90","","2317","4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N2 O S2 -","- C28 H20 N2 O S2 -","- C112 H80 N8 O4 S8 -","4","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.183","0.0587","","","0.1185","0.1651","","","","","","0.964","","","","has coordinates","175714","2020-10-21","18:00:00",""
"4031853","8.043","0.009","10.839","0.012","11.074","0.012","110.676","0.01","107.928","0.011","90.914","0.012","850.9","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 B F2 N2 S -","- C21 H13 B F2 N2 S -","- C42 H26 B2 F4 N4 S2 -","2","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.0674","0.0509","","","0.134","0.1521","","","","","","1.117","","","","has coordinates","175716","2020-10-21","18:00:00",""
"4031854","10.2181","0.0008","6.8051","0.0006","33.7995","0.0019","90","0.006","91.074","0.005","90","0.006","2349.8","0.3","294.39","0.1","294.39","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 O6 S -","- C26 H28 O6 S -","- C104 H112 O24 S4 -","4","1","","Zheng, Lan; Zhou, Zhao-Zhao; He, Yu-Tao; Li, Lian-Hua; Ma, Jun-Wei; Qiu, Yi-Feng; Zhou, Ping-Xin; Liu, Xue-Yuan; Xu, Peng-Fei; Liang, Yong-Min","Iodine-Promoted Radical Cyclization in Water: A Selective Reaction of 1,6-Enynes with Sulfonyl Hydrazides.","The Journal of organic chemistry","2016","81","1","66","76","10.1021/acs.joc.5b02161","","","0.71073","MoKα","","0.0622","0.0481","","","0.096","0.1045","","","","","","1.081","","","","has coordinates","175719","2020-10-21","18:00:00",""
"4031855","15.9991","0.0004","9.4815","0.0002","18.3873","0.0005","90","","95.082","0.003","90","","2778.31","0.12","293.64","0.1","293.64","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Cl I N O4 S2 -","- C27 H27 Cl I N O4 S2 -","- C108 H108 Cl4 I4 N4 O16 S8 -","4","1","","Zheng, Lan; Zhou, Zhao-Zhao; He, Yu-Tao; Li, Lian-Hua; Ma, Jun-Wei; Qiu, Yi-Feng; Zhou, Ping-Xin; Liu, Xue-Yuan; Xu, Peng-Fei; Liang, Yong-Min","Iodine-Promoted Radical Cyclization in Water: A Selective Reaction of 1,6-Enynes with Sulfonyl Hydrazides.","The Journal of organic chemistry","2016","81","1","66","76","10.1021/acs.joc.5b02161","","x-ray","0.71","MoKα","","0.0618","0.0415","","","0.0918","0.1059","","","","","","1.041","","","","has coordinates","175720","2020-10-21","18:00:00",""
"4031856","9.9158","0.0002","7.8871","0.0001","11.6418","0.0003","90","","112.716","0.003","90","","839.84","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O2 S -","- C17 H17 N3 O2 S -","- C34 H34 N6 O4 S2 -","2","1","","Doherty, William; Evans, Paul","Aminooxylation Horner-Wadsworth-Emmons Sequence for the Synthesis of Enantioenriched γ-Functionalized Vinyl Sulfones.","The Journal of organic chemistry","2016","81","4","1416","1424","10.1021/acs.joc.5b02556","","","0.71073","MoKα","","0.0411","0.0368","","","0.0924","0.0963","","","","","","1.043","","","","has coordinates","177416","2020-10-21","18:00:00",""
"4031857","14.7728","0.0002","14.5583","0.0002","22.2237","0.0004","90","","95.257","0.002","90","","4759.48","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl N2 O6 -","- C26 H23 Cl N2 O6 -","- C208 H184 Cl8 N16 O48 -","8","2","","Xu, Gong; Lüthy, Monique; Habegger, Jacqueline; Renaud, Philippe","Homologation Strategy for the Generation of 1-Chloroalkyl Radicals from Organoboranes.","The Journal of organic chemistry","2016","81","4","1506","1519","10.1021/acs.joc.5b02610","","","0.71073","MoKα","","0.0605","0.0448","","","0.1025","0.1123","","","","","","1.015","","","","has coordinates","177417","2020-10-21","18:00:00",""
"4031858","8.14393","0.00011","8.45999","0.00013","16.946","0.0002","90","","90","","90","","1167.54","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl O2 -","- C13 H13 Cl O2 -","- C52 H52 Cl4 O8 -","4","1","","Xu, Gong; Lüthy, Monique; Habegger, Jacqueline; Renaud, Philippe","Homologation Strategy for the Generation of 1-Chloroalkyl Radicals from Organoboranes.","The Journal of organic chemistry","2016","81","4","1506","1519","10.1021/acs.joc.5b02610","","","0.71069","MoKα","","0.0302","0.0273","","","0.0584","0.0602","","","","","","1.139","","","","has coordinates","177417","2020-10-21","18:00:00",""
"4031859","13.2938","0.0005","8.6528","0.0003","11.2228","0.0003","90","","97.224","0.003","90","","1280.7","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14.06 H16 Cl0.12 O3 -","- C14.0605 H16 Cl0.12 O3 -","- C56.242 H64 Cl0.48 O12 -","4","1","","Xu, Gong; Lüthy, Monique; Habegger, Jacqueline; Renaud, Philippe","Homologation Strategy for the Generation of 1-Chloroalkyl Radicals from Organoboranes.","The Journal of organic chemistry","2016","81","4","1506","1519","10.1021/acs.joc.5b02610","","","0.71073","MoKα","","0.0576","0.0439","","","0.1032","0.1107","","","","","","1.072","","","","has coordinates,has disorder","177417","2020-10-21","18:00:00",""
"4031860","12.8994","0.0007","10.6296","0.0005","9.552","0.0005","90","","99.323","0.001","90","","1292.43","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Motiwala, Hashim F.; Charaschanya, Manwika; Day, Victor W.; Aubé, Jeffrey","Remodeling and Enhancing Schmidt Reaction Pathways in Hexafluoroisopropanol.","The Journal of organic chemistry","2016","81","4","1593","1609","10.1021/acs.joc.5b02764","","","1.54178","CuKα","","0.0576","0.0568","","","0.1351","0.1357","","","","","","1.092","","","","has coordinates,has disorder","177414","2020-10-21","18:00:00",""
"4031861","5.991","0.0006","28.946","0.003","7.1474","0.0007","90","","111.95","0.006","90","","1149.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N5 -","- C12 H15 N5 -","- C48 H60 N20 -","4","1","","Motiwala, Hashim F.; Charaschanya, Manwika; Day, Victor W.; Aubé, Jeffrey","Remodeling and Enhancing Schmidt Reaction Pathways in Hexafluoroisopropanol.","The Journal of organic chemistry","2016","81","4","1593","1609","10.1021/acs.joc.5b02764","","","1.54178","CuKα","","0.0697","0.0645","","","0.1895","0.1931","","","","","","1.12","","","","has coordinates,has disorder","177414","2020-10-21","18:00:00",""
"4031862","8.7921","0.0018","11.303","0.002","15.658","0.003","90","","90","","90","","1556","0.5","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0604","0.0523","","","0.1311","0.14","","","","","","1.046","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031863","10.49","0.002","14.202","0.003","20.974","0.004","90","","103.52","0.03","90","","3038.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","2","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.092","0.0648","","","0.1348","0.1516","","","","","","1.063","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031864","7.0792","0.0014","10.326","0.002","14.979","0.003","90","","90","","90","","1095","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S2 -","- C11 H10 O2 S2 -","- C44 H40 O8 S8 -","4","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0304","0.0292","","","0.0767","0.0777","","","","","","1.129","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031865","11.059","0.002","11.569","0.002","17.329","0.004","90","","90","","90","","2217.1","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O2 S2 -","- C11 H14 O2 S2 -","- C88 H112 O16 S16 -","8","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0535","0.0465","","","0.1063","0.1148","","","","","","1.105","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031867","26.355","0.005","5.4089","0.0003","14.346","0.003","90","","136.39","0.04","90","","1410.6","1.1","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","- C56 H68 N12 O8 -","2","0.5","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","A Brønsted Acid-Amino Acid as a Synergistic Catalyst for Asymmetric List-Lerner-Barbas Aldol Reactions.","The Journal of organic chemistry","2016","81","6","2405","2419","10.1021/acs.joc.5b02896","","","1.54184","CuKα","","0.0343","0.0338","","","0.0904","0.0917","","","","","","1.057","","","","has coordinates","181439","2020-10-21","18:00:00",""
"4031868","4.9375","0.0005","13.7996","0.0013","10.2372","0.0009","90","","99.431","0.01","90","","688.09","0.11","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C26 H28 Cl2 N6 O4 -","2","1","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","A Brønsted Acid-Amino Acid as a Synergistic Catalyst for Asymmetric List-Lerner-Barbas Aldol Reactions.","The Journal of organic chemistry","2016","81","6","2405","2419","10.1021/acs.joc.5b02896","","","1.54184","CuKα","","0.0654","0.0622","","","0.1719","0.1803","","","","","","1.08","","","","has coordinates","181439","2020-10-21","18:00:00",""
"4031869","7.9139","0.0005","8.2369","0.0005","11.5044","0.0008","76.314","0.006","85.795","0.006","62.838","0.006","647.76","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Pan, Shanfei; Wu, Feifei; Yu, Ruicheng; Chen, Wanzhi","Palladium-Catalyzed Sequential Acylation/Cyanation of Aryl Iodides: A Regiospecific Synthesis of 2-Cyanoaryl Ketones.","The Journal of organic chemistry","2016","81","4","1558","1564","10.1021/acs.joc.5b02710","","","0.71073","MoKα","","0.0648","0.0448","","","0.1047","0.1239","","","","","","1.031","","","","has coordinates","177217","2020-10-21","18:00:00",""
"4031870","8.2207","0.0006","13.3837","0.001","17.1443","0.0013","90","","90","","90","","1886.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30.67 H21.33 N2.67 O5.33 -","- C30.6667 H21.3333 N2.66667 O5.33333 -","- C92 H64 N8 O16 -","3","0.75","","Devi, Rajkumari Vijilata; Garande, Ashok M.; Maity, Dilip K.; Bhate, Prakash M.","A Serendipitous Synthesis of 11a-Hydroxy-11,11a-dihydrobenzo[e]indeno[2,1-b][1,4]diazepine-10,12-dione Derivatives by Condensation of 2-Aminobenzamides with Ninhydrin in Water.","The Journal of organic chemistry","2016","81","4","1689","1695","10.1021/acs.joc.5b02327","","","0.71073","MoKα","","0.0318","0.0312","","","0.0816","0.0821","","","","","","1.045","","","","has coordinates","177218","2020-10-21","18:00:00",""
"4031871","5.0458","0.0008","19.062","0.003","12.879","0.002","90","","98.003","0.003","90","","1226.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 O3 -","- C16 H10 N2 O3 -","- C64 H40 N8 O12 -","4","1","","Devi, Rajkumari Vijilata; Garande, Ashok M.; Maity, Dilip K.; Bhate, Prakash M.","A Serendipitous Synthesis of 11a-Hydroxy-11,11a-dihydrobenzo[e]indeno[2,1-b][1,4]diazepine-10,12-dione Derivatives by Condensation of 2-Aminobenzamides with Ninhydrin in Water.","The Journal of organic chemistry","2016","81","4","1689","1695","10.1021/acs.joc.5b02327","","","0.71073","MoKα","","0.1192","0.0899","","","0.1607","0.1714","","","","","","1.23","","","","has coordinates","177219","2020-10-21","18:00:00",""
"4031872","8.2006","0.0016","16.758","0.003","11.927","0.002","90","","106.06","0.03","90","","1575.1","0.5","182","2","182","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","2","","Zhang, Mingliang; Ruan, Wenqing; Zhang, Hui-Jun; Li, Weiwei; Wen, Ting-Bin","Synthesis of α-Aminonaphthalenes via Copper-Catalyzed Aminobenzannulation of (o-Alkynyl)arylketones with Amines.","The Journal of organic chemistry","2016","81","4","1696","1703","10.1021/acs.joc.5b02340","","","0.71073","MoKα","","0.1455","0.096","","","0.2345","0.3058","","","","","","0.984","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031873","4.961","","16.81","","21.337","","108.34","","96.71","","98.43","","1645.4","","183","","183","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","2","","Zhang, Mingliang; Ruan, Wenqing; Zhang, Hui-Jun; Li, Weiwei; Wen, Ting-Bin","Synthesis of α-Aminonaphthalenes via Copper-Catalyzed Aminobenzannulation of (o-Alkynyl)arylketones with Amines.","The Journal of organic chemistry","2016","81","4","1696","1703","10.1021/acs.joc.5b02340","","","0.71073","MoKα","","0.0668","0.0429","","","0.1211","0.1572","","","","","","1.025","","","","has coordinates,has disorder","177221","2020-10-21","18:00:00",""
"4031874","9.223","0.0004","10.8655","0.0005","9.4767","0.0003","90","","115.29","0.002","90","","858.66","0.06","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0438","0.0407","","0.1043","0.1028","0.1043","","","","","","1.0084","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031875","10.1654","0.0002","23.4039","0.0007","27.844","0.0007","90","","97.126","0.0015","90","","6573.2","0.3","150","","150","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O6 -","- C24 H27 N3 O6 -","- C288 H324 N36 O72 -","12","3","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.1416","0.0758","","0.1563","0.1311","0.1563","","","","","","1.0345","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031876","25.4459","0.0004","7.8587","0.0001","26.2588","0.0004","90","","93.53","0.0007","90","","5241.05","0.13","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C228 H264 N24 O48 -","12","3","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.091","0.0484","","0.12","0.1018","0.12","","","","","","0.9661","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031877","8.1469","0.0002","21.0989","0.0006","10.1495","0.0003","90","","91.2076","0.0017","90","","1744.22","0.08","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0889","0.0478","","0.1153","0.0988","0.1153","","","","","","0.9578","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031878","8.7713","0.0004","8.2519","0.0003","12.8289","0.0005","90","","104.428","0.0019","90","","899.27","0.06","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.038","0.0346","","0.086","0.0839","0.086","","","","","","1.0081","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031879","6.5131","0.0004","15.578","0.001","17.347","0.0011","90","","99.532","0.004","90","","1735.74","0.19","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0897","0.0601","","0.1554","0.1303","0.1554","","","","","","1.0481","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031880","8.1146","0.0001","15.1903","0.0003","14.0567","0.0003","90","","105.362","0.001","90","","1670.77","0.05","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0536","0.0376","","0.1055","0.1013","0.1055","","","","","","0.9052","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031881","6.8438","0.0002","9.8978","0.0002","24.5997","0.0006","90","","97.1851","0.001","90","","1653.26","0.07","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0815","0.0705","","0.2157","0.2094","0.2157","","","","","","0.995","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031882","8.6793","0.0002","22.8503","0.0004","9.6857","0.0002","90","","91.2144","0.0009","90","","1920.48","0.07","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C19.5 H23 Cl N2 O4 -","- C19.5 H23 Cl N2 O4 -","- C78 H92 Cl4 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0933","0.0491","","0.1332","0.1227","0.1332","","","","","","0.8076","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031883","12.8137","0.0001","20.3565","0.0002","19.3212","0.0002","90","","94.288","0.0006","90","","5025.67","0.08","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 Cl2 N3 O6 -","- C25 H29 Cl2 N3 O6 -","- C200 H232 Cl16 N24 O48 -","8","2","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0693","0.0379","","0.0934","0.0876","0.0934","","","","","","0.821","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031884","7.6862","0.0003","10.4995","0.0004","28.4514","0.0011","90","","90","","90","","2296.06","0.15","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N3 O7 -","- C24 H27 N3 O7 -","- C96 H108 N12 O28 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0812","0.0582","","0.1576","0.1499","0.1576","","","","","","0.9925","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031885","13.2299","0.0002","13.607","0.0002","14.5131","0.0003","90","","91.0006","0.0011","90","","2612.24","0.08","200","","200","","","","","","","","local","5","C 1 c 1","C -2yc","9","","","","- C25 H28 Cl3 N3 O6 -","- C25 H28 Cl3 N3 O6 -","- C100 H112 Cl12 N12 O24 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.048","0.0422","","0.1106","0.1074","0.1106","","","","","","1.0363","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031886","15.2613","0.0003","6.8729","0.0001","17.2658","0.0003","90","","108.77","0.001","90","","1714.69","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54178","CuKα","","0.029","0.0277","","","0.0731","0.0741","","","","","","1.029","","","","has coordinates","177223","2020-10-21","18:00:00",""
"4031887","17.3559","0.0003","23.0476","0.0002","10.60473","0.00013","90","","106.077","0.0016","90","","4076.11","0.1","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 -","- C30 H24 -","- C240 H192 -","8","2","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54184","CuKα","","0.0497","0.0429","","","0.1072","0.1131","","","","","","1.033","","","","has coordinates","177224","2020-10-21","18:00:00",""
"4031888","10.5272","0.0001","15.2695","0.0002","17.9749","0.0002","90","","90","","90","","2889.38","0.06","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54178","CuKα","","0.0248","0.0245","","","0.0654","0.0657","","","","","","1.015","","","","has coordinates","177225","2020-10-21","18:00:00",""
"4031889","17.2175","0.0005","6.92","0.0002","17.2064","0.0005","90","","92.311","0.001","90","","2048.39","0.1","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 -","- C30 H24 -","- C120 H96 -","4","0.5","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54178","CuKα","","0.0283","0.0281","","","0.0722","0.0724","","","","","","1.034","","","","has coordinates","177226","2020-10-21","18:00:00",""
"4031890","7.6471","0.0008","10.1457","0.0011","10.4036","0.0011","108.059","0.002","102.095","0.002","102.883","0.002","713.47","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N O4 -","- C16 H16 N O4 -","- C32 H32 N2 O8 -","2","1","","Yang, Wei; Wang, Jingyi; Wei, Zhonglin; Zhang, Qian; Xu, Xianxiu","Kinetic Control of Rh(III)-Catalyzed Annulation of C-H Bonds with Quinones: Chemoselective Synthesis of Hydrophenanthridinones and Phenanthridinones.","The Journal of organic chemistry","2016","81","4","1675","1680","10.1021/acs.joc.5b02903","","","0.71073","MoKα","","0.0634","0.0501","","","0.139","0.1607","","","","","","1.057","","","","has coordinates","177227","2020-10-21","18:00:00",""
"4031891","10.3959","0.0014","20.556","0.003","11.7549","0.0016","90","","109.824","0.002","90","","2363.1","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","","Siva Kumari, A. Leela; Kumara Swamy, K. C.","Gold-Catalyzed Concomitant [3 + 3] Cycloaddition/Cascade Heterocyclization of Enynones/Enynals with Azides Leading to Furanotriazines.","The Journal of organic chemistry","2016","81","4","1425","1433","10.1021/acs.joc.5b02567","","","0.71073","MoKα","","0.0617","0.0466","","","0.1251","0.1397","","","","","","0.946","","","","has coordinates","177228","2020-10-21","18:00:00",""
"4031892","7.5985","0.0007","10.1256","0.0008","34.045","0.003","90","","94.613","0.003","90","","2610.9","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N3 O2 -","- C31 H25 N3 O2 -","- C124 H100 N12 O8 -","4","1","","Siva Kumari, A. Leela; Kumara Swamy, K. C.","Gold-Catalyzed Concomitant [3 + 3] Cycloaddition/Cascade Heterocyclization of Enynones/Enynals with Azides Leading to Furanotriazines.","The Journal of organic chemistry","2016","81","4","1425","1433","10.1021/acs.joc.5b02567","","","0.71073","MoKα","","0.1181","0.1012","","","0.2963","0.3112","","","","","","1.162","","","","has coordinates","177228","2020-10-21","18:00:00",""
"4031893","8.5086","0.0006","10.4268","0.0008","13.873","0.001","103.623","0.009","99.874","0.008","90.545","0.009","1176.83","0.16","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H23 Cl N2 O4 -","- C22 H23 Cl N2 O4 -","- C44 H46 Cl2 N4 O8 -","2","2","","Wangweerawong, Apiwat; Hummel, Joshua R.; Bergman, Robert G.; Ellman, Jonathan A.","Preparation of Enantiomerically Pure Perfluorobutanesulfinamide and Its Application to the Asymmetric Synthesis of α-Amino Acids.","The Journal of organic chemistry","2016","81","4","1547","1557","10.1021/acs.joc.5b02700","","","1.54178","CuKα","","0.1181","0.0792","","","0.1985","0.2282","","","","","","1.004","","","","has coordinates","177229","2020-10-21","18:00:00",""
"4031894","10.2071","0.0007","16.4858","0.0012","12.6284","0.0009","90","","113.189","0.002","90","","1953.3","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O11 S -","- C15 H18 N4 O11 S -","- C60 H72 N16 O44 S4 -","4","2","","Wangweerawong, Apiwat; Hummel, Joshua R.; Bergman, Robert G.; Ellman, Jonathan A.","Preparation of Enantiomerically Pure Perfluorobutanesulfinamide and Its Application to the Asymmetric Synthesis of α-Amino Acids.","The Journal of organic chemistry","2016","81","4","1547","1557","10.1021/acs.joc.5b02700","","","1.54178","CuKα","","0.0309","0.0307","","","0.0829","0.083","","","","","","1.026","","","","has coordinates","177230","2020-10-21","18:00:00",""
"4031895","7.17","0.003","9.128","0.004","11.218","0.005","98.826","0.007","90.908","0.007","92.801","0.007","724.4","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl O5 -","- C15 H13 Cl O5 -","- C30 H26 Cl2 O10 -","2","1","","Ram, Ram N.; Gupta, Dharmendra Kumar; Soni, Vineet Kumar","Copper(I)/Ligand-Catalyzed 5-endo Radical Cyclization-Aromatization of 2,2,2-Trichloroethyl Vinyl Ethers: Synthesis of 2,3-Difunctionalized 4-Chlorofurans.","The Journal of organic chemistry","2016","81","4","1665","1674","10.1021/acs.joc.5b02830","","","0.71073","MoKα","","0.0688","0.0468","","","0.1153","0.1235","","","","","","1.049","","","","has coordinates","177231","2020-10-21","18:00:00",""
"4031896","10.2313","0.0003","14.6185","0.0006","15.0517","0.0006","90","","90","","90","","2251.23","0.14","150","0.1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O3 P2 -","- C23 H32 O3 P2 -","- C92 H128 O12 P8 -","4","1","","Jaklińska, Magdalena; Cordier, Marie; Stankevič, Marek","Stereoselectivity of Michael Addition of P(X)-H-Type Nucleophiles to Cyclohexen-1-ylphosphine Oxide: The Case of Base-Selective Transformation.","The Journal of organic chemistry","2016","81","4","1378","1390","10.1021/acs.joc.5b02337","","","0.71069","MoKα","","0.0534","0.0468","","","0.1096","0.1154","","","","","","1.023","","","","has coordinates","177232","2020-10-21","18:00:00",""
"4031897","6.4902","0.0001","16.0682","0.0002","19.2321","0.0003","90","","91.03","0.001","90","","2005.31","0.05","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","2","","Zhang, Yu-Chen; Zhu, Qiu-Ning; Yang, Xue; Zhou, Lu-Jia; Shi, Feng","Merging Chiral Brønsted Acid/Base Catalysis: An Enantioselective [4 + 2] Cycloaddition of o-Hydroxystyrenes with Azlactones.","The Journal of organic chemistry","2016","81","4","1681","1688","10.1021/acs.joc.6b00078","","","1.54178","CuKα","","0.0465","0.0454","","","0.1169","0.1179","","","","","","1.053","","","","has coordinates","177233","2020-10-21","18:00:00",""
"4031898","9.1089","0.0018","9.794","0.002","10.309","0.002","90","","90","","90","","919.7","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H8 N4 O0 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","","Sun, Kai; Zhu, Zhonghong; Sun, Jingjing; Liu, Lulu; Wang, Xin","Copper-Catalyzed N-Arylation of Azoles and Mannich-Type Coupling of Ketones and Azoles under Metal-Free Conditions.","The Journal of organic chemistry","2016","81","4","1476","1483","10.1021/acs.joc.5b02593","","","0.71073","MoKα","","0.0374","0.0326","","","0.0883","0.0915","","","","","","1.051","","","","has coordinates","177234","2020-10-21","18:00:00",""
"4031899","21.104","0.004","5.9925","0.0012","20.403","0.004","90","","95.16","0.03","90","","2569.8","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","","Sun, Kai; Zhu, Zhonghong; Sun, Jingjing; Liu, Lulu; Wang, Xin","Copper-Catalyzed N-Arylation of Azoles and Mannich-Type Coupling of Ketones and Azoles under Metal-Free Conditions.","The Journal of organic chemistry","2016","81","4","1476","1483","10.1021/acs.joc.5b02593","","","0.71073","MoKα","","0.0957","0.0496","","","0.143","0.1795","","","","","","1.023","","","","has coordinates","177235","2020-10-21","18:00:00",""
"4031900","7.1498","0.0008","12.4223","0.0014","15.922","0.0017","90","","101.145","0.006","90","","1387.5","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Singh, Bijaya Kumar; Jana, Ranjan","Ligand-Enabled, Copper-Promoted Regio- and Chemoselective Hydroxylation of Arenes, Aryl Halides, and Aryl Methyl Ethers.","The Journal of organic chemistry","2016","81","3","831","841","10.1021/acs.joc.5b02302","","","0.71073","MoKα","","0.0642","0.045","","","0.1152","0.1293","","","","","","1.054","","","","has coordinates","177237","2020-10-21","18:00:00",""
"4031901","9.0301","0.0011","9.6899","0.0011","11.5773","0.0014","89.237","0.005","88.378","0.006","70.942","0.004","957.1","0.2","293","","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C46 H40 O10 -","2","1","","Mal, Kanchan; Das, Indrajit","Base Induced Chiral Substituted Furans and Imidazoles from Carbohydrate-Derived 2-Haloenones.","The Journal of organic chemistry","2016","81","3","932","945","10.1021/acs.joc.5b02500","","","0.71073","MoKα","","0.0492","0.0422","","","0.1106","0.1169","","","","","","1.055","","","","has coordinates","177238","2020-10-21","18:00:00",""
"4031902","15.0063","0.0014","18.8148","0.0017","19.7847","0.0017","81.121","0.004","75.859","0.004","71.583","0.004","5121.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 I2 O4 -","- C16 H16 I2 O4 -","- C192 H192 I24 O48 -","12","6","","Bentley, Keith W.; Joyce, Leo A.; Sherer, Edward C.; Sheng, Huaming; Wolf, Christian; Welch, Christopher J.","Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters.","The Journal of organic chemistry","2016","81","3","1185","1191","10.1021/acs.joc.5b02716","","","0.71073","MoKα","","0.0749","0.059","","","0.1521","0.162","","","","","","0.913","","","","has coordinates","177239","2020-10-21","18:00:00",""
"4031903","8.523","0.0002","10.0979","0.0003","12.3744","0.0003","67.425","0.001","86.163","0.001","69.144","0.001","915.95","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Br4 O4 -","- C16 H14 Br4 O4 -","- C32 H28 Br8 O8 -","2","1","","Bentley, Keith W.; Joyce, Leo A.; Sherer, Edward C.; Sheng, Huaming; Wolf, Christian; Welch, Christopher J.","Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters.","The Journal of organic chemistry","2016","81","3","1185","1191","10.1021/acs.joc.5b02716","","","0.71073","MoKα","","0.0208","0.0178","","","0.0433","0.0442","","","","","","1.015","","","","has coordinates","177240","2020-10-21","18:00:00",""
"4031904","13.0893","0.0003","11.2066","0.0003","17.8513","0.0004","90","","107.849","0.001","90","","2492.51","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","1","","Bentley, Keith W.; Joyce, Leo A.; Sherer, Edward C.; Sheng, Huaming; Wolf, Christian; Welch, Christopher J.","Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters.","The Journal of organic chemistry","2016","81","3","1185","1191","10.1021/acs.joc.5b02716","","","0.71073","MoKα","","0.0567","0.0403","","","0.1039","0.1121","","","","","","0.957","","","","has coordinates","177241","2020-10-21","18:00:00",""
"4031905","9.1784","0.0002","10.2343","0.0002","10.5109","0.0003","98.755","0.002","113.273","0.002","114.44","0.001","764.64","0.04","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 O -","- C22 H14 O -","- C44 H28 O2 -","2","1","","Paul, Kartick; Jalal, Swapnadeep; Kundal, Sandip; Jana, Umasish","Synthesis of Fused Dibenzofuran Derivatives via Palladium-Catalyzed Domino C-C Bond Formation and Iron-Catalyzed Cycloisomerization/Aromatization.","The Journal of organic chemistry","2016","81","3","1164","1174","10.1021/acs.joc.5b02637","","","0.71073","MoKα","","0.0903","0.0509","","","0.128","0.1476","","","","","","1.034","","","","has coordinates","177242","2020-10-21","18:00:00",""
"4031906","6.0855","0.0004","20.704","0.0013","9.2928","0.0006","90","","107.58","0.001","90","","1116.16","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 O5 P -","- C23 H33 O5 P -","- C46 H66 O10 P2 -","2","1","","Markley, Jana L.; Maitra, Soma; Hanson, Paul R.","Phosphate Tether-Mediated Ring-Closing Metathesis for the Generation of P-Stereogenic, Z-Configured Bicyclo[7.3.1]- and Bicyclo[8.3.1]phosphates.","The Journal of organic chemistry","2016","81","3","899","911","10.1021/acs.joc.5b02473","","","1.54178","CuKα","","0.0255","0.0255","","","0.0655","0.0656","","","","","","1.069","","","","has coordinates","177243","2020-10-21","18:00:00",""
"4031907","7.9652","0.0009","9.6983","0.001","9.7159","0.001","90","","99.7908","0.0016","90","","739.61","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 O4 P -","- C14 H23 O4 P -","- C28 H46 O8 P2 -","2","1","","Markley, Jana L.; Maitra, Soma; Hanson, Paul R.","Phosphate Tether-Mediated Ring-Closing Metathesis for the Generation of P-Stereogenic, Z-Configured Bicyclo[7.3.1]- and Bicyclo[8.3.1]phosphates.","The Journal of organic chemistry","2016","81","3","899","911","10.1021/acs.joc.5b02473","","","1.54178","CuKα","","0.022","0.022","","","0.0562","0.0562","","","","","","1.093","","","","has coordinates","177244","2020-10-21","18:00:00",""
"4031908","9.0005","0.0005","9.8533","0.0005","10.2837","0.0005","86.35","0.003","84.591","0.003","85.213","0.003","903.35","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Br N O5 S -","- C17 H16 Br N O5 S -","- C34 H32 Br2 N2 O10 S2 -","2","1","","Wei, Pei-Shun; Wang, Meng-Xue; Xu, Dong-Cheng; Xie, Jian-Wu","Synthesis of 2,3-Dihydrothieno(2,3-b)quinolines and Thieno(2,3-b)- quinolines via an Unexpected Domino Aza-MBH/Alkylation/Aldol Reaction.","The Journal of organic chemistry","2016","81","3","1216","1222","10.1021/acs.joc.5b02369","","","0.71073","MoKα","","0.0743","0.0489","","","0.1434","0.1626","","","","","","1.043","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031909","16.5377","0.0002","7.9752","0.0001","13.0814","0.0002","90","","92.575","0.001","90","","1723.58","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","","Wei, Pei-Shun; Wang, Meng-Xue; Xu, Dong-Cheng; Xie, Jian-Wu","Synthesis of 2,3-Dihydrothieno(2,3-b)quinolines and Thieno(2,3-b)- quinolines via an Unexpected Domino Aza-MBH/Alkylation/Aldol Reaction.","The Journal of organic chemistry","2016","81","3","1216","1222","10.1021/acs.joc.5b02369","","","0.71073","MoKα","","0.049","0.0427","","","0.1263","0.1331","","","","","","1.058","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031910","7.5963","0.0002","18.1171","0.0006","11.602","0.0003","90","","90","","90","","1596.7","0.08","571","2","571","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C72 H64 N8 O12 S4 -","4","1","","Wei, Jun; Jiang, Jingxing; Xiao, Xinsheng; Lin, Dongen; Deng, Yuanfu; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei","Copper-Catalyzed Regioselective C-H Sulfonylation of 8-Aminoquinolines.","The Journal of organic chemistry","2016","81","3","946","955","10.1021/acs.joc.5b02509","","","1.54178","CuKα","","0.0336","0.033","","","0.0875","0.0881","","","","","","1.08","","","","has coordinates","177247","2020-10-21","18:00:00",""
"4031911","9.0085","0.0005","11.9601","0.0007","16.9214","0.001","90","","90","","90","","1823.15","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl2 N O -","- C21 H17 Cl2 N O -","- C84 H68 Cl8 N4 O4 -","4","1","","Patel, Darshan C.; Breitbach, Zachary S.; Woods, Ross M.; Lim, Yeeun; Wang, Andy; Jr, Frank W Foss; Armstrong, Daniel W.","Gram Scale Conversion of R-BINAM to R-NOBIN.","The Journal of organic chemistry","2016","81","3","1295","1299","10.1021/acs.joc.5b02663","","","0.71073","MoKα","","0.0563","0.0545","","","0.198","0.2057","","","","","","1.321","","","","has coordinates","177248","2020-10-21","18:00:00",""
"4031912","8.9759","0.0002","9.7135","0.0002","14.17","0.0003","98.454","0.001","105.814","0.001","91.27","0.001","1173.25","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H28 O6 -","- C27 H28 O6 -","- C54 H56 O12 -","2","1","","Akbar, Sikkandarkani; Srinivasan, Kannupal","Iron-Catalyzed Tandem Conia-Ene/Friedel-Crafts Reactions of o-Alkynyldihydrochalcones: Access to Benzo[b]fluorenes.","The Journal of organic chemistry","2016","81","3","1229","1236","10.1021/acs.joc.5b02391","","","0.71073","MoKα","","0.0725","0.0453","","","0.1138","0.1327","","","","","","0.98","","","","has coordinates","177249","2020-10-21","18:00:00",""
"4031913","5.9887","0.0002","10.5588","0.0003","28.4505","0.0009","90","","90","","90","","1799.02","0.1","210","2","210","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","7,11,18,21-Tetrathiatrispiro[5.2.2.512.29.26]henicosane","","- C17 H28 S4 -","- C17 H28 S4 -","- C68 H112 S16 -","4","0.5","","Wessig, P.; Gerngroß, M; Freyse, D.; Bruhns, P.; Przezdziak, M.; Schilde, U.; Kelling, A.","Molecular Rods Based on Oligo-spiro-thioketals.","The Journal of organic chemistry","2016","81","3","1125","1136","10.1021/acs.joc.5b02670","","","0.71073","MoKα","","0.0397","0.0365","","","0.0972","0.0987","","","","","","1.072","","","","has coordinates","177250","2020-10-21","18:00:00",""
"4031914","12.119","0.004","7.848","0.002","27.185","0.008","90","","90.261","0.009","90","","2585.5","1.3","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 B F2 N2 -","- C37 H23 B F2 N2 -","- C148 H92 B4 F8 N8 -","4","1","","Yamazawa, Sho; Nakashima, Mika; Suda, Yukie; Nishiyabu, Ryuhei; Kubo, Yuji","2,3-Naphtho-Fused BODIPYs as Near-Infrared Absorbing Dyes.","The Journal of organic chemistry","2016","81","3","1310","1315","10.1021/acs.joc.5b02720","","","0.71075","MoKα","","0.0504","0.0387","","","0.1007","0.107","","","","","","1.041","","","","has coordinates","177251","2020-10-21","18:00:00",""
"4031915","11.8598","0.0004","19.9474","0.0011","13.9976","0.0005","90","","92.895","0.003","90","","3307.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14.25 H21 N8 O4.25 -","- C14.25 H21 N8 O4.25 -","- C114 H168 N64 O34 -","8","2","","Stancl, Marek; Gargulakova, Zuzana; Sindelar, Vladimir","Correction to ""Glycoluril Dimer Isomerization under Aqueous Acidic Conditions Related to Cucurbituril Formation"".","The Journal of organic chemistry","2016","81","3","1316","","10.1021/acs.joc.6b00024","","","0.71073","MoKα","","0.069","0.0396","","","0.1125","0.1314","","","","","","0.992","","","","has coordinates,has disorder","177252","2020-10-21","18:00:00",""
"4031916","12.2122","0.0014","9.7378","0.0012","11.5756","0.0014","90","","90.414","0.002","90","","1376.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","0.71073","MoKα","","0.0487","0.0429","","","0.1185","0.1239","","","","","","1.041","","","","has coordinates","177253","2020-10-21","18:00:00",""
"4031917","6.6165","0.0001","8.5077","0.0002","15.0826","0.0003","90","","90","","90","","849.02","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","1.54178","CuKα","","0.053","0.0468","","","0.1128","0.1345","","","","","","1.179","","","","has coordinates","177254","2020-10-21","18:00:00",""
"4031918","13.6518","0.0017","9.812","0.0012","12.3174","0.0015","90","","112.549","0.002","90","","1523.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","0.71073","MoKα","","0.0545","0.0429","","","0.1075","0.1158","","","","","","1.032","","","","has coordinates","177255","2020-10-21","18:00:00",""
"4031919","7.8685","0.0007","16.8026","0.0014","10.9944","0.0009","90","","106.843","0.001","90","","1391.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C72 H52 F4 N8 O4 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","0.71073","MoKα","","0.0724","0.0598","","","0.1732","0.1859","","","","","","1.069","","","","has coordinates","177256","2020-10-21","18:00:00",""
"4031920","7.6988","0.0004","10.1399","0.0006","10.4688","0.0005","98.485","0.003","110.24","0.002","103.21","0.003","723.16","0.07","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C14 H17 Cl N2 O4 -","- C14 H17 Cl N2 O4 -","- C28 H34 Cl2 N4 O8 -","2","1","","Durel, Vianney; Lalli, Claudia; Roisnel, Thierry; Weghe, Pierre van de","Synergistic Effect of the TiCl4/p-TsOH Promoter System on the Aza-Prins Cyclization.","The Journal of organic chemistry","2016","81","3","849","859","10.1021/acs.joc.5b02342","","x-ray","0.71073","MoKα","","0.0412","0.0352","","","0.0863","0.0904","","","","","","1.034","","","","has coordinates","177257","2020-10-21","18:00:00",""
"4031921","5.4944","0.0006","17.8095","0.0014","23.213","0.003","90","","90","","90","","2271.5","0.4","150","2","150","2","","","","","","","synthesis as described","5","P c a n","-P 2n 2c","60","","","","- C11 H13 Br Cl N -","- C11 H13 Br Cl N -","- C88 H104 Br8 Cl8 N8 -","8","1","","Durel, Vianney; Lalli, Claudia; Roisnel, Thierry; Weghe, Pierre van de","Synergistic Effect of the TiCl4/p-TsOH Promoter System on the Aza-Prins Cyclization.","The Journal of organic chemistry","2016","81","3","849","859","10.1021/acs.joc.5b02342","","x-ray","0.71073","MoKα","","0.0896","0.0446","","","0.0892","0.1052","","","","","","0.975","","","","has coordinates","177258","2020-10-21","18:00:00",""
"4031922","5.7757","0.0005","11.9628","0.0012","11.9927","0.0012","70.251","0.003","89.805","0.002","87.3","0.002","778.95","0.13","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","7-phenyl-6H-chromeno[4,3-b]quinoline","","- C22 H15 N O -","- C22 H15 N O -","- C44 H30 N2 O2 -","2","1","","Aradi, Klára; Bombicz, Petra; Novák, Zoltán","Modular Copper-Catalyzed Synthesis of Chromeno[4,3-b]quinolines with the Utilization of Diaryliodonium Salts.","The Journal of organic chemistry","2016","81","3","920","931","10.1021/acs.joc.5b02490","","","0.71075","MoKα","","0.0837","0.0549","","","0.1539","0.1962","","","","","","1.157","","","","has coordinates","177259","2020-10-21","18:00:00",""
"4031923","17.355","0.004","9.4432","0.0019","20.162","0.004","90","","90","","90","","3304.3","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 Cl O -","- C22 H15 Cl O -","- C176 H120 Cl8 O8 -","8","1","","Ouyang, Lu; Qi, Chaorong; He, Haitao; Peng, Youbin; Xiong, Wenfang; Ren, Yanwei; Jiang, Huanfeng","Base-Promoted Formal [4 + 3] Annulation between 2-Fluorophenylacetylenes and Ketones: A Route to Benzoxepines.","The Journal of organic chemistry","2016","81","3","912","919","10.1021/acs.joc.5b02487","","","0.71073","MoKα","","0.11","0.0539","","","0.1337","0.1638","","","","","","0.978","","","","has coordinates","177260","2020-10-21","18:00:00",""
"4031924","6.4783","0.0013","8.4999","0.0017","23.571","0.005","90","","90","","90","","1297.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Ouyang, Lu; Qi, Chaorong; He, Haitao; Peng, Youbin; Xiong, Wenfang; Ren, Yanwei; Jiang, Huanfeng","Base-Promoted Formal [4 + 3] Annulation between 2-Fluorophenylacetylenes and Ketones: A Route to Benzoxepines.","The Journal of organic chemistry","2016","81","3","912","919","10.1021/acs.joc.5b02487","","","0.71073","MoKα","","0.058","0.0276","","","0.0686","0.0833","","","","","","0.914","","","","has coordinates","177261","2020-10-21","18:00:00",""
"4031925","17.844","0.003","16.028","0.003","16.127","0.003","90","","93.772","0.005","90","","4602.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H47 Cl3 Cu N4 O2 -","- C55 H47 Cl3 Cu N4 O2 -","- C220 H188 Cl12 Cu4 N16 O8 -","4","1","","Gehrold, Andreas C.; Bruhn, Torsten; Bringmann, Gerhard","Axial, Helical, and Planar Chirality in Directly Linked Basket-Handle Porphyrin Arrays.","The Journal of organic chemistry","2016","81","3","1075","1088","10.1021/acs.joc.5b02638","","","0.71073","MoKα","","0.1174","0.0632","","","0.1541","0.1889","","","","","","1.026","","","","has coordinates,has disorder","177262","2020-10-21","18:00:00",""
"4031926","9.718","0.0005","22.6793","0.0013","13.0099","0.0007","90","","102.826","0.004","90","","2795.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H43 Br2 N4 O2.5 -","- C27 H43 Br2 N4 O2.5 -","- C108 H172 Br8 N16 O10 -","4","1","","Abdulwahaab, Bassim H.; Burke, Benjamin P.; Domarkas, Juozas; Silversides, Jon D.; Prior, Timothy J.; Archibald, Stephen J.","Mono- and Bis-Alkylation of Glyoxal-Bridged Tetraazamacrocycles Using Mechanochemistry.","The Journal of organic chemistry","2016","81","3","890","898","10.1021/acs.joc.5b02464","","","0.71073","MoKα","","0.0819","0.0534","","","0.143","0.1558","","","","","","1.013","","","","has coordinates","177263","2020-10-21","18:00:00",""
"4031927","14.54","0.0009","10.1743","0.0008","18.1427","0.0011","90","","102.778","0.005","90","","2617.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Br2 N4 O -","- C26 H38 Br2 N4 O -","- C104 H152 Br8 N16 O4 -","4","1","","Abdulwahaab, Bassim H.; Burke, Benjamin P.; Domarkas, Juozas; Silversides, Jon D.; Prior, Timothy J.; Archibald, Stephen J.","Mono- and Bis-Alkylation of Glyoxal-Bridged Tetraazamacrocycles Using Mechanochemistry.","The Journal of organic chemistry","2016","81","3","890","898","10.1021/acs.joc.5b02464","","","0.71073","MoKα","","0.1519","0.0998","","","0.2221","0.2426","","","","","","1.05","","","","has coordinates,has disorder","177264","2020-10-21","18:00:00",""
"4031928","10.7048","0.0007","13.9924","0.0008","18.8717","0.0013","90","","90","","90","","2826.7","0.3","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H42 Br2 N4 O -","- C28 H42 Br2 N4 O -","- C112 H168 Br8 N16 O4 -","4","0.5","","Abdulwahaab, Bassim H.; Burke, Benjamin P.; Domarkas, Juozas; Silversides, Jon D.; Prior, Timothy J.; Archibald, Stephen J.","Mono- and Bis-Alkylation of Glyoxal-Bridged Tetraazamacrocycles Using Mechanochemistry.","The Journal of organic chemistry","2016","81","3","890","898","10.1021/acs.joc.5b02464","","","0.71073","MoKα","","0.0842","0.0626","","","0.1441","0.1532","","","","","","0.914","","","","has coordinates","177265","2020-10-21","18:00:00",""
"4031929","8.087","0.0008","9.6789","0.0009","16.5891","0.0015","90.513","0.001","103.315","0.002","92.59","0.001","1262","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H17 Cl2 I N4 O3 S -","- C24 H17 Cl2 I N4 O3 S -","- C48 H34 Cl4 I2 N8 O6 S2 -","2","1","","Wang, Ai-Fang; Zhu, Yi-Long; Wang, Shu-Liang; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Metal-Free Radical Haloazidation of Benzene-Tethered 1,7-Enynes Leading to Polyfunctionalized 3,4-Dihydroquinolin-2(1H)-ones.","The Journal of organic chemistry","2016","81","3","1099","1105","10.1021/acs.joc.5b02655","","","0.71073","MoKα","","0.0656","0.0452","","","0.1121","0.1193","","","","","","1.057","","","","has coordinates","177266","2020-10-21","18:00:00",""
"4031931","8.4658","0.0012","12.7598","0.0018","14.619","0.002","75.041","0.002","89.508","0.002","87.31","0.002","1524","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","tetraethoxy dioxo-bis-bispidine","","","- C27 H46 Cl2 N4 O6 -","- C27 H46 Cl2 N4 O6 -","- C54 H92 Cl4 N8 O12 -","2","1","","Wang, Zhuo; Islam, Md Jahirul; Vukotic, V. Nicholas; Revington, Matthew J.","Conformational Study of N,N'-Diacyl Bispidines and Dioxo Bis-bispidines: Planar Chirality and Molecular Switching.","The Journal of organic chemistry","2016","81","7","2981","2986","10.1021/acs.joc.6b00250","","","0.71073","MoKα","","0.0862","0.0553","","","0.1235","0.1386","","","","","","1.018","","","","has coordinates","181438","2020-10-21","18:00:00",""
"4031932","8.2504","0.0011","9.6655","0.0013","11.6169","0.0015","100.467","0.001","91.12","0.001","107.542","0.001","865.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","diethoxy N,N'-di(chloroacetyl)bispidine","","","- C15 H24 Cl2 N2 O4 -","- C15 H24 Cl2 N2 O4 -","- C30 H48 Cl4 N4 O8 -","2","1","","Wang, Zhuo; Islam, Md Jahirul; Vukotic, V. Nicholas; Revington, Matthew J.","Conformational Study of N,N'-Diacyl Bispidines and Dioxo Bis-bispidines: Planar Chirality and Molecular Switching.","The Journal of organic chemistry","2016","81","7","2981","2986","10.1021/acs.joc.6b00250","","","0.71073","MoKα","","0.0354","0.0308","","","0.0761","0.0801","","","","","","0.996","","","","has coordinates","181438","2020-10-21","18:00:00",""
"4031933","16.3112","0.0009","5.7559","0.0003","17.7642","0.001","90","","94.2846","0.0015","90","","1663.14","0.16","93","0.2","93","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C76 H68 Br4 O8 -","4","2","","Ubukata, Shino; Ito, Jun-Ichi; Oguri, Ryota; Nishiyama, Hisao","Asymmetric Three-Component Coupling Reaction of Alkyne, Enone, and Aldehyde Catalyzed by Chiral Phebox Ruthenium Catalysts.","The Journal of organic chemistry","2016","81","8","3347","3355","10.1021/acs.joc.6b00374","","","0.71073","MoKα","","0.0279","0.0265","","","0.0647","0.0653","","","","","","1.171","","","","has coordinates","182507","2020-10-21","18:00:00",""
"4031934","6.1436","0.0004","6.8104","0.0006","10.8156","0.0009","87.661","0.007","78.156","0.007","83.52","0.006","439.99","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C18 H28 O6 -","2","1","","Li, Yuanzhen; Yang, Shuang; Wen, Genfa; Lin, Qiqiao; Zhang, Guoxiang; Qiu, Lin; Zhang, Xiaoyan; Du, Guangfen; Fang, Xinqiang","Asymmetric Desymmetrization of 1,3-Diketones via Intramolecular Benzoin Reaction.","The Journal of organic chemistry","2016","81","7","2763","2769","10.1021/acs.joc.5b02829","","","1.54184","CuKα","","0.042","0.0374","","","0.1009","0.1045","","","","","","1.088","","","","has coordinates","181337","2020-10-21","18:00:00",""
"4031935","7.083","0.0002","7.1796","0.0002","11.8698","0.0003","90","","92.156","0.003","90","","603.19","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 F O3 -","- C14 H15 F O3 -","- C28 H30 F2 O6 -","2","1","","Li, Yuanzhen; Yang, Shuang; Wen, Genfa; Lin, Qiqiao; Zhang, Guoxiang; Qiu, Lin; Zhang, Xiaoyan; Du, Guangfen; Fang, Xinqiang","Asymmetric Desymmetrization of 1,3-Diketones via Intramolecular Benzoin Reaction.","The Journal of organic chemistry","2016","81","7","2763","2769","10.1021/acs.joc.5b02829","","","1.54184","CuKα","","0.0313","0.0295","","","0.0808","0.0827","","","","","","1.058","","","","has coordinates","181338","2020-10-21","18:00:00",""
"4031936","21.975","0.0005","7.9493","0.0002","19.2418","0.0006","90","","104.993","0.001","90","","3246.84","0.15","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 N4 O -","- C19 H16 N4 O -","- C152 H128 N32 O8 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.094","0.0632","","","0.1328","0.1529","","","","","","1.103","","","","has coordinates","181339","2020-10-21","18:00:00",""
"4031937","9.392","0.0005","9.6342","0.0005","13.7713","0.0008","77.113","0.002","81.781","0.002","65.015","0.005","1099.35","0.11","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N3 -","- C27 H29 N3 -","- C54 H58 N6 -","2","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.061","0.0533","","","0.1408","0.1492","","","","","","1.017","","","","has coordinates,has disorder","181340","2020-10-21","18:00:00",""
"4031938","11.7471","0.0001","13.291","0.0001","11.5874","0.0001","90","","106.749","0.001","90","","1732.4","0.03","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 -","- C20 H23 N3 -","- C80 H92 N12 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0482","0.044","","","0.1111","0.115","","","","","","1.037","","","","has coordinates","181341","2020-10-21","18:00:00",""
"4031939","22.1401","0.0007","10.4147","0.0004","14.3555","0.0007","90","","100.699","0.003","90","","3252.6","0.2","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17.5 H19 N4 O0.5 -","- C17.5 H19 N4 O0.5 -","- C140 H152 N32 O4 -","8","2","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0403","0.0382","","","0.095","0.097","","","","","","1.035","","","","has coordinates,has disorder","181342","2020-10-21","18:00:00",""
"4031940","9.0878","0.0001","9.202","0.0001","9.5148","0.0002","95.924","0.001","110.639","0.001","96.782","0.001","730.37","0.02","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H23 N3 -","- C17 H23 N3 -","- C34 H46 N6 -","2","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0427","0.0412","","","0.1047","0.1061","","","","","","1.033","","","","has coordinates","181343","2020-10-21","18:00:00",""
"4031941","5.3908","0.0004","12.7036","0.0008","21.4042","0.0016","90","","92.502","0.003","90","","1464.42","0.18","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 -","- C19 H15 N3 -","- C76 H60 N12 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0913","0.0533","","","0.1232","0.1487","","","","","","1.046","","","","has coordinates","181344","2020-10-21","18:00:00",""
"4031942","14.5287","0.0001","5.131","0.0001","18.0984","0.0001","90","","106.735","0.001","90","","1292.04","0.03","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N4 -","- C17 H12 N4 -","- C68 H48 N16 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0569","0.0429","","","0.1094","0.12","","","","","","1.025","","","","has coordinates","181345","2020-10-21","18:00:00",""
"4031943","12.3812","0.0003","5.6553","0.0001","18.7769","0.0005","90","","92.864","0.001","90","","1313.11","0.05","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.0672","0.0459","","","0.1149","0.1262","","","","","","1.033","","","","has coordinates","181346","2020-10-21","18:00:00",""
"4031944","13.174","0.0006","9.647","0.0004","16.383","0.0007","90","","113.416","0.002","90","","1910.63","0.15","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 O -","- C21 H24 N4 O -","- C84 H96 N16 O4 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0524","0.047","","","0.1241","0.1294","","","","","","1.035","","","","has coordinates","181347","2020-10-21","18:00:00",""
"4031945","17.2832","0.0009","10.5241","0.0005","16.7531","0.0008","90","","102","0.005","90","","2980.6","0.3","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 N4 -","- C15 H22 N4 -","- C120 H176 N32 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0509","0.0427","","","0.1094","0.1162","","","","","","1.021","","","","has coordinates","181348","2020-10-21","18:00:00",""
"4031946","15.8339","0.0004","3.9749","0.0001","16.9483","0.0004","90","","101.628","0.001","90","","1044.8","0.04","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N2 -","- C14 H8 N2 -","- C56 H32 N8 -","4","0.5","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0495","0.0427","","","0.1085","0.1152","","","","","","1.055","","","","has coordinates","181349","2020-10-21","18:00:00",""
"4031947","16.8777","0.0004","9.1711","0.0002","21.9473","0.0006","90","","91.346","0.001","90","","3396.22","0.14","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N4 -","- C20 H22 N4 -","- C160 H176 N32 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.0573","0.051","","","0.1192","0.1257","","","","","","1.086","","","","has coordinates","181350","2020-10-21","18:00:00",""
"4031948","15.602","0.0004","12.952","0.0003","11.0992","0.0002","90","","103.31","0.001","90","","2182.65","0.09","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C104 H112 N16 O8 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.081","0.0607","","","0.128","0.1397","","","","","","1.09","","","","has coordinates","181351","2020-10-21","18:00:00",""
"4031949","11.6415","0.0007","14.699","0.0008","6.9416","0.0004","90","","100.918","0.004","90","","1166.33","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N5 S2 -","- C12 H7 N5 S2 -","- C48 H28 N20 S8 -","4","1","","Mota, Alberto A. R.; Corrêa, José R; Carvalho, Pedro H. P. R.; de Sousa, Núbia M P; de Oliveira, Heibbe C. B.; Gatto, Claudia C.; da Silva Filho, Demétrio A; de Oliveira, Aline L.; Neto, Brenno A. D.","Synthesis, Structure, Properties, and Bioimaging of a Fluorescent Nitrogen-Linked Bisbenzothiadiazole.","The Journal of organic chemistry","2016","81","7","2958","2965","10.1021/acs.joc.6b00245","","","0.71073","MoKα","","0.0838","0.0457","","","0.0966","0.1151","","","","","","1.039","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031950","11.2442","0.0006","12.6155","0.0007","11.9818","0.0007","90","","92.599","0.003","90","","1697.88","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O -","- C25 H18 O -","- C100 H72 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Park, Kyu Hyung; Das, Soumyajit; Herng, Tun Seng; Gonçalves, Théo P; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Octazethrene and Its Isomer with Different Diradical Characters and Chemical Reactivity: The Role of the Bridge Structure.","The Journal of organic chemistry","2016","81","7","2911","2919","10.1021/acs.joc.6b00172","","","1.54178","CuKα","","0.0463","0.0413","","","0.1161","0.13","","","","","","1.121","","","","has coordinates","181353","2020-10-21","18:00:00",""
"4031951","8.3105","0.0003","9.6129","0.0003","28.8543","0.001","90","","96.657","0.002","90","","2289.57","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 O -","- C31 H31 O -","- C124 H124 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Park, Kyu Hyung; Das, Soumyajit; Herng, Tun Seng; Gonçalves, Théo P; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Octazethrene and Its Isomer with Different Diradical Characters and Chemical Reactivity: The Role of the Bridge Structure.","The Journal of organic chemistry","2016","81","7","2911","2919","10.1021/acs.joc.6b00172","","","1.54178","CuKα","","0.0804","0.0483","","","0.1057","0.1187","","","","","","1.041","","","","has coordinates","181354","2020-10-21","18:00:00",""
"4031952","9.2006","0.0004","10.9573","0.0006","13.7554","0.0006","95.316","0.002","99.204","0.001","114.807","0.001","1222.66","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H48 F10 O2 -","- C63 H48 F10 O2 -","- C63 H48 F10 O2 -","1","0.5","","Hu, Pan; Lee, Sangsu; Park, Kyu Hyung; Das, Soumyajit; Herng, Tun Seng; Gonçalves, Théo P; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Octazethrene and Its Isomer with Different Diradical Characters and Chemical Reactivity: The Role of the Bridge Structure.","The Journal of organic chemistry","2016","81","7","2911","2919","10.1021/acs.joc.6b00172","","","0.71073","MoKα","","0.0635","0.0529","","","0.1401","0.1467","","","","","","1.059","","","","has coordinates,has disorder","181355","2020-10-21","18:00:00",""
"4031953","13.9053","0.0007","6.1919","0.0003","16.7754","0.0011","90","","99.909","0.002","90","","1422.82","0.14","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N5 O -","- C16 H15 N5 O -","- C64 H60 N20 O4 -","4","1","","Åkerbladh, Linda; Odell, Luke R.","Synthesis of 2-Aminoquinazolinones via Carbonylative Coupling of ortho-Iodoanilines and Cyanamide.","The Journal of organic chemistry","2016","81","7","2966","2973","10.1021/acs.joc.6b00249","","","0.71073","MoKα","","0.1721","0.0631","","","0.1142","0.1449","","","","","","0.969","","","","has coordinates","181356","2020-10-21","18:00:00",""
"4031954","5.304","0.0003","6.0907","0.0003","16.9947","0.001","90","","91.708","0.005","90","","548.77","0.05","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C24 H18 Br2 O6 -","2","1","","Li, Yanan; Hu, Yanbin; Zhang, Sheng; Sun, Jianan; Li, Lijun; Zha, Zhenggen; Wang, Zhiyong","Copper-Catalyzed Enantioselective Hetero-Diels-Alder Reaction of Danishefsky's Diene with Glyoxals.","The Journal of organic chemistry","2016","81","7","2993","2999","10.1021/acs.joc.5b02780","","","1.54184","CuKα","","0.0667","0.0661","","","0.1676","0.1681","","","","","","1.027","","","","has coordinates","181357","2020-10-21","18:00:00",""
"4031955","10.1738","0.0002","10.6826","0.0001","17.3464","0.0003","90","","103.28","0.0016","90","","1834.84","0.05","150","","150","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","Palladium-Catalyzed Ullmann Cross-Coupling/Tandem Reductive Cyclization Route to Key Members of the Uleine Alkaloid Family.","The Journal of organic chemistry","2016","81","7","2950","2957","10.1021/acs.joc.6b00240","","","1.54184","CuKα","","0.0353","0.0312","","0.075","0.0722","0.075","","","","","","0.9903","","","","has coordinates","181358","2020-10-21","18:00:00",""
"4031956","8.56836","0.0001","12.02612","0.00014","14.15115","0.00014","90","","90","","90","","1458.19","0.03","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","Palladium-Catalyzed Ullmann Cross-Coupling/Tandem Reductive Cyclization Route to Key Members of the Uleine Alkaloid Family.","The Journal of organic chemistry","2016","81","7","2950","2957","10.1021/acs.joc.6b00240","","","1.54184","CuKα","","0.0276","0.0269","","0.0691","0.0686","0.0691","","","","","","1.0024","","","","has coordinates","181359","2020-10-21","18:00:00",""
"4031957","8.0726","0.0005","10.504","0.0006","16.4544","0.0011","90","","90","","90","","1395.24","0.15","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","","Quinodoz, Pierre; Drouillat, Bruno; Wright, Karen; Marrot, Jérôme; Couty, François","N-Arylazetidines: Preparation through Anionic Ring Closure.","The Journal of organic chemistry","2016","81","7","2899","2910","10.1021/acs.joc.6b00169","","","0.71073","MoKα","","0.0478","0.0378","","","0.0934","0.0996","","","","","","1.077","","","","has coordinates","181360","2020-10-21","18:00:00",""
"4031958","9.6634","0.0005","9.6634","0.0005","14.0625","0.001","90","","90","","90","","1313.17","0.13","200","2","200","2","","","","","","","","3","P 43","P 4cw","78","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Quinodoz, Pierre; Drouillat, Bruno; Wright, Karen; Marrot, Jérôme; Couty, François","N-Arylazetidines: Preparation through Anionic Ring Closure.","The Journal of organic chemistry","2016","81","7","2899","2910","10.1021/acs.joc.6b00169","","","0.71073","MoKα","","0.0368","0.0329","","","0.0791","0.0818","","","","","","1.114","","","","has coordinates","181361","2020-10-21","18:00:00",""
"4031959","18.3402","0.0017","5.2971","0.0006","17.7876","0.0019","90","","108.308","0.012","90","","1640.6","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Vidyacharan, Shinde; Murugan, Arumugavel; Sharada, Duddu S.","C(sp(2))-H Functionalization of 2H-Indazoles at C3-Position via Palladium(II)-Catalyzed Isocyanide Insertion Strategy Leading to Diverse Heterocycles.","The Journal of organic chemistry","2016","81","7","2837","2848","10.1021/acs.joc.6b00048","","","1.54184","CuKα","","0.0781","0.0528","","","0.1402","0.1597","","","","","","1.0651","","","","has coordinates","181362","2020-10-21","18:00:00",""
"4031960","9.6457","0.0018","10.255","0.002","10.4809","0.0019","114.778","0.019","103.217","0.016","93.707","0.016","901.1","0.3","295.42","0.1","295.42","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O -","- C21 H23 N O -","- C42 H46 N2 O2 -","2","1","","Chen, Fei; Yang, Xiu-Long; Wu, Zhi-Wei; Han, Bing","Synthesis of Isoxazoline/Cyclic Nitrone-Featured Methylenes Using Unsaturated Ketoximes: A Dual Role of TEMPO.","The Journal of organic chemistry","2016","81","7","3042","3050","10.1021/acs.joc.6b00180","","x-ray","0.71073","MoKα","","0.1005","0.059","","","0.1169","0.1441","","","","","","1.037","","","","has coordinates","181363","2020-10-21","18:00:00",""
"4031961","9.9162","0.001","12.1827","0.0009","11.4435","0.0012","90","","106.801","0.012","90","","1323.4","0.2","293.66","0.1","293.66","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Chen, Fei; Yang, Xiu-Long; Wu, Zhi-Wei; Han, Bing","Synthesis of Isoxazoline/Cyclic Nitrone-Featured Methylenes Using Unsaturated Ketoximes: A Dual Role of TEMPO.","The Journal of organic chemistry","2016","81","7","3042","3050","10.1021/acs.joc.6b00180","","","0.71","MoKα","","0.0722","0.0486","","","0.12","0.1391","","","","","","1.046","","","","has coordinates","181364","2020-10-21","18:00:00",""
"4031962","10.59","0.002","6.6123","0.0013","10.786","0.002","90","","95.25","0.03","90","","752.1","0.3","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C34 H32 N4 O12 -","2","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0751","0.0683","","","0.1973","0.2361","","","","","","1.328","","","","has coordinates","181365","2020-10-21","18:00:00",""
"4031963","8.503","0.002","19.136","0.004","24.138","0.005","90","","90","","90","","3927.6","1.5","170","2","170","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C21 H24 N2 O7 -","- C21 H24 N2 O7 -","- C168 H192 N16 O56 -","8","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0518","0.0458","","","0.1119","0.1179","","","","","","1.001","","","","has coordinates","181366","2020-10-21","18:00:00",""
"4031964","14.8466","0.0006","9.9164","0.0004","15.3707","0.0006","90","","94.973","0.001","90","","2254.43","0.16","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 N5 O2 P Pd -","- C25 H24 N5 O2 P Pd -","- C100 H96 N20 O8 P4 Pd4 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0274","0.0217","","","0.0531","0.0558","","","","","","0.91","","","","has coordinates","181367","2020-10-21","18:00:00",""
"4031965","9.3167","0.0006","12.8999","0.0008","20.3246","0.0014","90","","90","","90","","2442.7","0.3","100","2","100","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C26 H24 N5 O3 P Pd -","- C26 H24 N5 O3 P Pd -","- C104 H96 N20 O12 P4 Pd4 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0459","0.0338","","","0.0734","0.078","","","","","","0.995","","","","has coordinates","181367","2020-10-21","18:00:00",""
"4031966","6.3928","0.0013","14.653","0.003","16.301","0.003","90","","90","","90","","1527","0.5","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O7 -","- C16 H16 N2 O7 -","- C64 H64 N8 O28 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0573","0.0437","","","0.1114","0.134","","","","","","1.14","","","","has coordinates","181368","2020-10-21","18:00:00",""
"4031967","14.795","0.0003","14.795","0.0003","7.3373","0.0002","90","","90","","90","","1606.08","0.06","296","2","296","2","","","","","","","","5","P 42","P 4c","77","","","","- C14 H25 N O4 S -","- C14 H25 N O4 S -","- C56 H100 N4 O16 S4 -","4","1","","Dowling, Matthew S.; Fernando, Dilinie P.; Hou, Jie; Liu, Bo; Smith, Aaron C.","Two Scalable Syntheses of (S)-2-Methylazetidine.","The Journal of organic chemistry","2016","81","7","3031","3036","10.1021/acs.joc.6b00149","","","1.54178","CuKα","","0.0458","0.039","","","0.0981","0.1018","","","","","","1.071","","","","has coordinates","181369","2020-10-21","18:00:00",""
"4031968","6.0845","0.0018","7.566","0.002","25.221","0.007","88.323","0.005","89.896","0.005","86.032","0.005","1157.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","2","","Xu, Cheng; Jia, Feng-Cheng; Zhou, Zhi-Wen; Zheng, Si-Jie; Li, Han; Wu, An-Xin","Copper-Catalyzed Multicomponent Domino Reaction of 2-Bromoaldehydes, Benzylamines, and Sodium Azide for the Assembly of Quinazoline Derivatives.","The Journal of organic chemistry","2016","81","7","3000","3006","10.1021/acs.joc.5b02843","","","0.71073","MoKα","","0.0576","0.0401","","","0.1193","0.1286","","","","","","0.924","","","","has coordinates","181370","2020-10-21","18:00:00",""
"4031969","11.3311","0.0008","19.2315","0.0011","10.608","0.0007","90","","92.046","0.006","90","","2310.2","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 N4 O15 -","- C44 H32 N4 O15 -","- C88 H64 N8 O30 -","2","0.5","","Ling, Fei; Wan, Yanjun; Wang, Dongxu; Ma, Cheng","Coupling and Decoupling Approach Enables Palladium-Catalyzed Aerobic Bimolecular Carbocyclizations of Enediynes to 2,6-Diacylnaphthalenes.","The Journal of organic chemistry","2016","81","7","2770","2781","10.1021/acs.joc.5b02870","","","0.71073","MoKα","","0.1051","0.0755","","","0.235","0.2661","","","","","","1.091","","","","has coordinates,has disorder","181371","2020-10-21","18:00:00",""
"4031970","10.929","0.0003","11.0375","0.0003","11.7658","0.0004","106.803","0.001","99.982","0.001","116.422","0.001","1138.79","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Br N O5 -","- C24 H24 Br N O5 -","- C48 H48 Br2 N2 O10 -","2","1","","Weng, Jian-Quan; Fan, Ren-Jie; Deng, Qiao-Man; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective Friedel-Crafts Alkylation Reactions of 3-Substituted Indoles with Electron-Deficient Alkenes.","The Journal of organic chemistry","2016","81","7","3023","3030","10.1021/acs.joc.6b00123","","","0.71073","MoKα","","0.0582","0.0476","","","0.136","0.1461","","","","","","1.03","","","","has coordinates","181372","2020-10-21","18:00:00",""
"4031971","9.6284","0.00013","9.6284","0.00013","34.587","0.0007","90","","90","","90","","3206.43","0.09","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C136 H120 Br8 N16 O16 -","8","1","","Weng, Jian-Quan; Fan, Ren-Jie; Deng, Qiao-Man; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective Friedel-Crafts Alkylation Reactions of 3-Substituted Indoles with Electron-Deficient Alkenes.","The Journal of organic chemistry","2016","81","7","3023","3030","10.1021/acs.joc.6b00123","","","1.54184","CuKα","","0.0388","0.0377","","","0.0999","0.1007","","","","","","1.068","","","","has coordinates","181373","2020-10-21","18:00:00",""
"4031972","21.203","0.004","5.8478","0.0009","20.613","0.004","90","","118.361","0.012","90","","2249.1","0.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H25 Cl N2 O4 -","- C24 H25 Cl N2 O4 -","- C96 H100 Cl4 N8 O16 -","4","1","","Liu, Hua-Chao; Tao, Hai-Yan; Cong, Hengjiang; Wang, Chun-Jiang","Silver(I)-Catalyzed Atroposelective Desymmetrization of N-Arylmaleimide via 1,3-Dipolar Cycloaddition of Azomethine Ylides: Access to Octahydropyrrolo[3,4-c]pyrrole Derivatives.","The Journal of organic chemistry","2016","81","9","3752","3760","10.1021/acs.joc.6b00396","","","1.54178","CuKα","","0.0652","0.0593","","","0.1559","0.1624","","","","","","1.074","","","","has coordinates","183592","2020-10-21","18:00:00",""
"4031987","11.722","0.002","6.0787","0.0012","12.996","0.003","90","","114.44","0.03","90","","843","0.4","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","","Qin, Zifeng; Liu, Wei; Wang, Danyang; He, Zhengjie","Phosphine-Catalyzed (4 + 1) Annulation of o-Hydroxyphenyl and o-Aminophenyl Ketones with Allylic Carbonates: Syntheses and Transformations of 3-Hydroxy-2,3-Disubstituted Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2016","81","11","4690","4700","10.1021/acs.joc.6b00596","","","0.71073","MoKα","","0.0555","0.0422","","","0.1101","0.1135","","","","","","1.082","","","","has coordinates","183590","2020-10-21","18:00:00",""
"4031988","10.881","0.002","19.835","0.004","11.526","0.005","90","","118.23","0.02","90","","2191.7","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 F N O6 -","- C21 H26 F N O6 -","- C84 H104 F4 N4 O24 -","4","1","","Qin, Zifeng; Liu, Wei; Wang, Danyang; He, Zhengjie","Phosphine-Catalyzed (4 + 1) Annulation of o-Hydroxyphenyl and o-Aminophenyl Ketones with Allylic Carbonates: Syntheses and Transformations of 3-Hydroxy-2,3-Disubstituted Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2016","81","11","4690","4700","10.1021/acs.joc.6b00596","","","0.71073","MoKα","","0.0615","0.0419","","","0.084","0.0914","","","","","","1.079","","","","has coordinates","183590","2020-10-21","18:00:00",""
"4031989","14.2112","0.0004","17.5594","0.0007","19.6273","0.0007","90","","90","","90","","4897.8","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H57 F6 O P3 Ru -","- C56 H57 F6 O P3 Ru -","- C224 H228 F24 O4 P12 Ru4 -","4","1","","Ma, Hao-Wei; Chen, Pei-Min; Lo, Ji-Xian; Lin, Ying-Chih; Huang, Shou-Ling; Chen, Chi-Ren; Chia, Pi-Yeh","Domino Cyclization of 1,n-Enynes (n = 7, 8, 9) Giving Derivatives of Pyrane, Chromene, Fluorene, Phenanthrene and Dibenzo[7]annulene by Ruthenium Complexes.","The Journal of organic chemistry","2016","81","11","4494","4505","10.1021/acs.joc.6b00260","","","0.71073","MoKα","","0.0507","0.0429","","","0.0993","0.1045","","","","","","1.04","","","","has coordinates,has disorder","183591","2020-10-21","18:00:00",""
"4031993","29.279","0.002","9.9611","0.0005","15.2419","0.0012","90","","96.311","0.006","90","","4418.4","0.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C240 H168 N8 O16 -","8","1","","Pusch, Stefan; Kowalczyk, Danuta; Opatz, Till","A Photoinduced Cobalt-Catalyzed Synthesis of Pyrroles through in Situ-Generated Acylazirines.","The Journal of organic chemistry","2016","81","10","4170","4178","10.1021/acs.joc.6b00511","","","0.71073","MoKα","","0.0886","0.0415","","","0.0858","0.1003","","","","","","0.936","","","","has coordinates","183542","2020-10-21","18:00:00",""
"4031994","6.3347","0.0002","12.7819","0.0004","22.8824","0.0007","90","","90","","90","","1852.78","0.1","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","XFL-13-32","","","- C16 H27 F2 N O7 S -","- C16 H27 F2 N O7 S -","- C64 H108 F8 N4 O28 S4 -","4","1","","Liang, Xiaofei; Gopalaswamy, Ramesh; Navas, 3rd, Frank; Toone, Eric J.; Zhou, Pei","A Scalable Synthesis of the Difluoromethyl-allo-threonyl Hydroxamate-Based LpxC Inhibitor LPC-058.","The Journal of organic chemistry","2016","81","10","4393","4398","10.1021/acs.joc.6b00589","","","0.71073","MoKα","","0.0379","0.0303","","","0.0676","0.0708","","","","","","1.024","","","","has coordinates","183543","2020-10-21","18:00:00",""
"4031995","8.308","0.002","12.155","0.003","16.137","0.004","90","","90","","90","","1629.6","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Zheng, Yin; Cui, Lei; Wang, Youming; Zhou, Zhenghong","Stereocontrolled Construction of Tetrahydropyrano[2,3-c]pyrazole Scaffold via an Organocatalyzed Formal [3 + 3] Annulation.","The Journal of organic chemistry","2016","81","10","4340","4346","10.1021/acs.joc.6b00196","","","1.54187","CuKα","","0.0245","0.0244","","","0.0661","0.0662","","","","","","1.051","","","","has coordinates","183544","2020-10-21","18:00:00",""
"4031996","20.1569","0.0013","7.495","0.0006","13.1446","0.0005","90","","95.77","0.007","90","","1975.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Majee, Debashis; Biswas, Soumen; Mobin, Shaikh M.; Samanta, Sampak","Access to 4,6-Diarylpicolinates via a Domino Reaction of Cyclic Sulfamidate Imines with Morita-Baylis-Hillman Acetates of Nitroolefins/Nitrodienes.","The Journal of organic chemistry","2016","81","10","4378","4385","10.1021/acs.joc.6b00472","","","0.71073","MoKα","","0.0674","0.0586","","","0.2271","0.2411","","","","","","0.773","","","","has coordinates","183545","2020-10-21","18:00:00",""
"4031997","33.3","0.1","5.412","0.005","15","0.03","90","","91.1","0.5","90","","2703","10","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H40 N2 O5 -","- C28 H40 N2 O5 -","- C112 H160 N8 O20 -","4","1","","Oliveira Udry, Guillermo A.; Repetto, Evangelina; Vega, Daniel R.; Varela, Oscar","Synthesis of Enantiomeric Polyhydroxyalkylpyrrolidines from 1,3-Dipolar Cycloadducts. Evaluation as Inhibitors of a β-Galactofuranosidase.","The Journal of organic chemistry","2016","81","10","4179","4189","10.1021/acs.joc.6b00514","","","0.71073","MoKα","","0.0927","0.0526","","","0.1307","0.1441","","","","","","1.013","","","","has coordinates","183546","2020-10-21","18:00:00",""
"4031998","5.5207","0.0006","12.938","0.0012","17.1775","0.0013","94.761","0.007","93.119","0.007","97.721","0.008","1208.9","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H37 N O5 -","- C26 H37 N O5 -","- C52 H74 N2 O10 -","2","2","","Oliveira Udry, Guillermo A.; Repetto, Evangelina; Vega, Daniel R.; Varela, Oscar","Synthesis of Enantiomeric Polyhydroxyalkylpyrrolidines from 1,3-Dipolar Cycloadducts. Evaluation as Inhibitors of a β-Galactofuranosidase.","The Journal of organic chemistry","2016","81","10","4179","4189","10.1021/acs.joc.6b00514","","","0.71073","MoKα","","0.1027","0.0729","","","0.1612","0.1889","","","","","","1.03","","","","has coordinates","183546","2020-10-21","18:00:00",""
"4031999","14.3541","0.0008","12.9841","0.0009","23.2417","0.0013","90","","90","","90","","4331.7","0.5","295.06","0.1","295.06","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 F2 N2 O2 -","- C23 H26 F2 N2 O2 -","- C184 H208 F16 N16 O16 -","8","1","","Wang, Chao; Chen, Qiao; Guo, Quanping; Liu, Hong; Xu, Zhaoqing; Liu, Yubing; Wang, Mengran; Wang, Rui","Silver-Catalyzed Difluoroamidation of Activated Alkenes for the Construction of Difluorinated 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2016","81","13","5782","5788","10.1021/acs.joc.6b01013","","x-ray","0.71073","MoKα","","0.2101","0.0951","","","0.2415","0.3318","","","","","","1.002","","","","has coordinates","184936","2020-10-21","18:00:00",""
"4032000","20.7774","0.0014","13.3315","0.0005","17.7511","0.0011","90","","114.656","0.008","90","","4468.7","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O4 -","- C26 H29 N O4 -","- C208 H232 N8 O32 -","8","2","","Zhurkin, Fedor E.; Hu, Xile","γ-Selective Allylation of (E)-Alkenylzinc Iodides Prepared by Reductive Coupling of Arylacetylenes with Alkyl Iodides.","The Journal of organic chemistry","2016","81","13","5795","5802","10.1021/acs.joc.6b01306","","","0.71073","MoKα","","0.104","0.0603","","","0.1352","0.1574","","","","","","1.024","","","","has coordinates,has disorder","184152","2020-10-21","18:00:00",""
"4032001","12.2536","0.0007","11.1077","0.0006","19.8629","0.0012","90","","96.9","0.002","90","","2683.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O9 -","- C29 H26 N2 O9 -","- C116 H104 N8 O36 -","4","1","","Mukherjee, Prasun; Das, Asish R.","Diastereoselective Synthesis of Structurally and Stereochemically Diversified 2-Oxa-7-azabicyclo[4.1.0]hept-3-enyl Carboxylates and Their Potential Application toward the Synthesis of Functionalized Pyranooxazolone and Pyrrole Derivatives through Skeletal Transformations.","The Journal of organic chemistry","2016","81","13","5513","5524","10.1021/acs.joc.6b00849","","","0.71073","MoKα","","0.0888","0.0588","","","0.1762","0.2192","","","","","","0.838","","","","has coordinates","184153","2020-10-21","18:00:00",""
"4032002","10.3945","0.0006","14.251","0.0008","10.8994","0.0005","90","","104.558","0.002","90","","1562.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","2","","Mukherjee, Prasun; Das, Asish R.","Diastereoselective Synthesis of Structurally and Stereochemically Diversified 2-Oxa-7-azabicyclo[4.1.0]hept-3-enyl Carboxylates and Their Potential Application toward the Synthesis of Functionalized Pyranooxazolone and Pyrrole Derivatives through Skeletal Transformations.","The Journal of organic chemistry","2016","81","13","5513","5524","10.1021/acs.joc.6b00849","","","0.71073","MoKα","","0.0905","0.0538","","","0.1613","0.2075","","","","","","0.83","","","","has coordinates","184154","2020-10-21","18:00:00",""
"4032003","9.3748","0.001","14.9234","0.0016","17.0073","0.0018","90","","105.626","0.002","90","","2291.4","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Br Cl N3 O4 -","- C26 H21 Br Cl N3 O4 -","- C104 H84 Br4 Cl4 N12 O16 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Antonov, Alexander S.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Borodkin, Gennady S.; Fedik, Nikita S.; Dyablo, Olga V.","10-Dimethylamino Derivatives of Benzo[h]quinoline and Benzo[h]quinazolines: Fluorescent Proton Sponge Analogues with Opposed peri-NMe2/-N═ Groups. How to Distinguish between Proton Sponges and Pseudo-Proton Sponges.","The Journal of organic chemistry","2016","81","13","5574","5587","10.1021/acs.joc.6b00917","","","0.71073","MoKα","","0.0891","0.0476","","","0.0861","0.0996","","","","","","1.014","","","","has coordinates","184155","2020-10-21","18:00:00",""
"4032004","6.2123","0.0009","11.7333","0.0017","9.8071","0.0014","90","","103.073","0.003","90","","696.32","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 B F4 N2 -","- C15 H15 B F4 N2 -","- C30 H30 B2 F8 N4 -","2","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Antonov, Alexander S.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Borodkin, Gennady S.; Fedik, Nikita S.; Dyablo, Olga V.","10-Dimethylamino Derivatives of Benzo[h]quinoline and Benzo[h]quinazolines: Fluorescent Proton Sponge Analogues with Opposed peri-NMe2/-N═ Groups. How to Distinguish between Proton Sponges and Pseudo-Proton Sponges.","The Journal of organic chemistry","2016","81","13","5574","5587","10.1021/acs.joc.6b00917","","","0.71073","MoKα","","0.0556","0.0461","","","0.0951","0.1007","","","","","","1","","","","has coordinates","184156","2020-10-21","18:00:00",""
"4032005","9.464","0.004","9.749","0.004","24.118","0.009","89.146","0.006","89.296","0.006","89.079","0.006","2224.5","1.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cl N3 O4 -","- C26 H22 Cl N3 O4 -","- C104 H88 Cl4 N12 O16 -","4","2","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Antonov, Alexander S.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Borodkin, Gennady S.; Fedik, Nikita S.; Dyablo, Olga V.","10-Dimethylamino Derivatives of Benzo[h]quinoline and Benzo[h]quinazolines: Fluorescent Proton Sponge Analogues with Opposed peri-NMe2/-N═ Groups. How to Distinguish between Proton Sponges and Pseudo-Proton Sponges.","The Journal of organic chemistry","2016","81","13","5574","5587","10.1021/acs.joc.6b00917","","","0.71073","MoKα","","0.1549","0.0954","","","0.2255","0.2539","","","","","","1.126","","","","has coordinates,has disorder","184157","2020-10-21","18:00:00",""
"4032006","10.4681","0.0004","10.6574","0.0005","17.3657","0.0009","90","","90","","90","","1937.36","0.15","298","","297.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Yugandar, S.; Konda, S.; Parameshwarappa, G.; Ila, H.","One-Pot Synthesis of 2,4,5-Trisubstituted Imidazoles via [2 + 2 + 1] Cycloannulation of 1,3-Bishet(aryl)-monothio-1,3-diketones, α-Substituted Methylamines and Sodium Nitrite through α-Nitrosation of Enaminones.","The Journal of organic chemistry","2016","81","13","5606","5622","10.1021/acs.joc.6b00938","","","0.71073","MoKα","","0.0815","0.0525","","","0.1086","0.1198","","","","","","1.059","","","","has coordinates","184158","2020-10-21","18:00:00",""
"4032007","11.4995","0.0004","11.1353","0.0003","15.3917","0.0005","90","","109.315","0.001","90","","1859.98","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C84 H76 N12 O12 -","4","1","","Yugandar, S.; Konda, S.; Parameshwarappa, G.; Ila, H.","One-Pot Synthesis of 2,4,5-Trisubstituted Imidazoles via [2 + 2 + 1] Cycloannulation of 1,3-Bishet(aryl)-monothio-1,3-diketones, α-Substituted Methylamines and Sodium Nitrite through α-Nitrosation of Enaminones.","The Journal of organic chemistry","2016","81","13","5606","5622","10.1021/acs.joc.6b00938","","","0.71073","MoKα","","0.0856","0.0701","","","0.1793","0.2163","","","","","","1.201","","","","has coordinates","184158","2020-10-21","18:00:00",""
"4032008","13.195","0.005","23.759","0.005","24.771","0.005","90","0.005","90","0.005","90","0.005","7766","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C85 H96 Cl2 Mg2 N10 O2 S -","- C85 H96 Cl2 Mg2 N10 O2 S -","- C340 H384 Cl8 Mg8 N40 O8 S4 -","4","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71069","MoKα","","0.0987","0.0631","","","0.1445","0.1679","","","","","","1.01","","","","has coordinates,has disorder","184159","2020-10-21","18:00:00",""
"4032009","13.376","0.002","24.659","0.004","24.538","0.004","90","","90.141","0.003","90","","8094","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C177 H209 Cl3 Mg4 N20 O4 S2 -","- C177 H209 Cl3 Mg4 N20 O4 S2 -","- C354 H418 Cl6 Mg8 N40 O8 S4 -","2","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71073","MoKα","","0.155","0.0893","","","0.193","0.2391","","","","","","1.012","","","","has coordinates","184160","2020-10-21","18:00:00",""
"4032010","13.6073","0.0011","24.816","0.002","25.86","0.002","90","","90","","90","","8732.4","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C96 H112 Mg2 N8 O4 S -","- C96 H112 Mg2 N8 O4 S -","- C384 H448 Mg8 N32 O16 S4 -","4","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71073","MoKα","","0.0768","0.0579","","","0.1399","0.1522","","","","","","1.047","","","","has coordinates,has disorder","184161","2020-10-21","18:00:00",""
"4032011","22.7449","0.0006","19.7482","0.0006","11.4956","0.0003","90","","115.335","0.001","90","","4666.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 B2 F8 N3 -","- C24 H21 B2 F8 N3 -","- C192 H168 B16 F64 N24 -","8","1","","Zhang, Xiaoping; Clennan, Edward L.; Arulsamy, Navamoney; Weber, Rachael; Weber, Jacob","Synthesis, Structure, and Photochemical Behavior of [5]Heli-viologen Isomers.","The Journal of organic chemistry","2016","81","13","5474","5486","10.1021/acs.joc.6b00835","","","0.71073","MoKα","","0.0989","0.0745","","","0.2156","0.2443","","","","","","1.036","","","","has coordinates,has disorder","184162","2020-10-21","18:00:00",""
"4032012","10.1491","0.001","11.4621","0.0011","10.7009","0.001","90","","96.569","0.001","90","","1236.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Zhao, Li-Ming; Zhang, Ai-Li; Zhang, Jie-Huan; Gao, Hua-Shuai; Zhou, Wei","Zinc-Mediated C-3 α-Prenylation of Isatins with Prenyl Bromide: Access to 3-Prenyl-3-hydroxy-2-oxindoles and Its Application.","The Journal of organic chemistry","2016","81","13","5487","5494","10.1021/acs.joc.6b00836","","","0.71073","MoKα","","0.0618","0.0485","","","0.1224","0.1322","","","","","","1.045","","","","has coordinates","184163","2020-10-21","18:00:00",""
"4032013","9.5632","0.0006","6.0365","0.0004","27.2812","0.0017","90","","91.12","0.002","90","","1574.6","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-tris(2-chloropropan-2-yl)-1,3,5-trioxane","","- C12 H21 Cl3 O3 -","- C12 H21 Cl3 O3 -","- C48 H84 Cl12 O12 -","4","1","","Rodig, Michael J.; Snow, Arthur W.; Scholl, Paul; Rea, Simon","Synthesis and Low Temperature Spectroscopic Observation of 1,3,5-Trioxane-2,4,6-Trione: The Cyclic Trimer of Carbon Dioxide.","The Journal of organic chemistry","2016","81","13","5354","5361","10.1021/acs.joc.6b00647","","","0.71073","MoKα","","0.0467","0.0407","","","0.1106","0.1151","","","","","","1.066","","","","has coordinates,has disorder","184164","2020-10-21","18:00:00",""
"4032014","12.5581","0.0009","14.7892","0.0009","14.3839","0.0011","90","","100.361","0.004","90","","2627.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 I4 N2 O -","- C24 H20 I4 N2 O -","- C96 H80 I16 N8 O4 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0971","0.0842","","","0.2457","0.2638","","","","","","1.038","","","","has coordinates,has disorder","184165","2020-10-21","18:00:00",""
"4032015","8.912","0.0003","10.0998","0.0003","38.1226","0.0012","90","","91.106","0.001","90","","3430.75","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H30.5 I2 N4.5 -","- C39.5 H30.5 I2 N4.5 -","- C158 H122 I8 N18 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0517","0.0514","","","0.1179","0.1181","","","","","","1.258","","","","has coordinates,has disorder","184166","2020-10-21","18:00:00",""
"4032016","9.1058","0.0002","14.9161","0.0004","21.2943","0.0005","90","","92.442","0.001","90","","2889.63","0.12","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I4 N2 O -","- C28 H20 I4 N2 O -","- C112 H80 I16 N8 O4 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0395","0.0392","","","0.1143","0.1146","","","","","","1.055","","","","has coordinates","184167","2020-10-21","18:00:00",""
"4032017","8.7","0.002","15.83","0.004","9.797","0.002","90","","90.484","0.003","90","","1349.2","0.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H18 I4 N2 -","- C27 H18 I4 N2 -","- C54 H36 I8 N4 -","2","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","0.71073","MoKα","","0.0389","0.0313","","","0.0936","0.0982","","","","","","1.042","","","","has coordinates","184168","2020-10-21","18:00:00",""
"4032018","8.4577","0.0005","9.7547","0.0006","27.544","0.0016","90","","95.462","0.001","90","","2262.1","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 I4 N2 -","- C21 H14 I4 N2 -","- C84 H56 I16 N8 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","0.71073","MoKα","","0.0413","0.0323","","","0.0876","0.1007","","","","","","1.121","","","","has coordinates","184169","2020-10-21","18:00:00",""
"4032019","8.3087","0.0002","22.656","0.0007","14.9664","0.0005","90","","97.132","0.001","90","","2795.51","0.14","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I4 N2 -","- C28 H20 I4 N2 -","- C112 H80 I16 N8 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0349","0.0347","","","0.0937","0.094","","","","","","1.063","","","","has coordinates","184170","2020-10-21","18:00:00",""
"4032020","6.968","0.005","8.073","0.005","17.744","0.01","90","","90","","90","","998.1","1.1","158","2","158","2","","","","","","","Julia M. Clay, SIP student in Jed Fisher lab","3","P 21 21 21","P 2ac 2ab","19","PNU-143663 29580-jff-20B","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","","Clay, Julia M.; Hesek, Dusan; Oliver, Allen G.; Lee, Mijoon; Fisher, Jed F.","Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal.","The Journal of organic chemistry","2016","81","13","5705","5709","10.1021/acs.joc.6b00756","","","0.7107","MoKα","","0.0648","0.0557","","","0.1427","0.1515","","","1.089","","","1.104","","","","has coordinates","184171","2020-10-21","18:00:00",""
"4032021","9.4198","0.0002","9.7083","0.0003","17.1134","0.0004","90","","90","","90","","1565.02","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Clay, Julia M.; Hesek, Dusan; Oliver, Allen G.; Lee, Mijoon; Fisher, Jed F.","Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal.","The Journal of organic chemistry","2016","81","13","5705","5709","10.1021/acs.joc.6b00756","","","1.54184","CuKα","","0.0294","0.0289","","","0.0738","0.0744","","","","","","1.066","","","","has coordinates","184171","2020-10-21","18:00:00",""
"4032022","11.2","0.01","13.43","0.01","16.32","0.01","103.467","0.002","94.715","0.003","114.462","0.002","2128","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H60 O10 -","- C50 H60 O10 -","- C100 H120 O20 -","2","1","","Della Sala, Paolo; Gaeta, Carmine; Navarra, Wanda; Talotta, Carmen; De Rosa, Margherita; Brancatelli, Giovanna; Geremia, Silvano; Capitelli, Francesco; Neri, Placido","Improved Synthesis of Larger Resorcinarenes.","The Journal of organic chemistry","2016","81","13","5726","5731","10.1021/acs.joc.6b00803","","","0.7","","","0.0655","0.0652","","","0.161","0.1615","","","","","","1.225","","","","has coordinates","184172","2020-10-21","18:00:00",""
"4032023","13.48","0.002","15.127","0.0001","25.768","0.0001","90","","96.565","0.003","90","","5219.9","0.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 O12 -","- C60 H72 O12 -","- C240 H288 O48 -","4","1","","Della Sala, Paolo; Gaeta, Carmine; Navarra, Wanda; Talotta, Carmen; De Rosa, Margherita; Brancatelli, Giovanna; Geremia, Silvano; Capitelli, Francesco; Neri, Placido","Improved Synthesis of Larger Resorcinarenes.","The Journal of organic chemistry","2016","81","13","5726","5731","10.1021/acs.joc.6b00803","","","0.8","","","0.0591","0.058","","","0.1475","0.1484","","","","","","1.155","","","","has coordinates","184173","2020-10-21","18:00:00",""
"4032024","8.864","0.003","51.49","0.04","7.808","0.003","90","","100.81","0.03","90","","3500","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 O8 -","- C40 H48 O8 -","- C160 H192 O32 -","4","1","","Della Sala, Paolo; Gaeta, Carmine; Navarra, Wanda; Talotta, Carmen; De Rosa, Margherita; Brancatelli, Giovanna; Geremia, Silvano; Capitelli, Francesco; Neri, Placido","Improved Synthesis of Larger Resorcinarenes.","The Journal of organic chemistry","2016","81","13","5726","5731","10.1021/acs.joc.6b00803","","","0.71073","MoKα","","0.2888","0.0977","","","0.2078","0.2821","","","","","","1","","","","has coordinates","184174","2020-10-21","18:00:00",""
"4032025","15.72","0.0004","10.2218","0.0003","12.7916","0.0003","90","","90","","90","","2055.44","0.09","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","","Berry, Ellen; Gomes, Gabriel Dos Passos; MacLean, Alex; Martin, Justin R.; Wiget, Paul A.","Discovery of a Long-Range Perlin Effect in a Conformationally Constrained Oxocane.","The Journal of organic chemistry","2016","81","13","5740","5744","10.1021/acs.joc.6b00819","","","1.54178","CuKα","","0.0436","0.0436","","","0.1103","0.1103","","","","","","1.09","","","","has coordinates","184175","2020-10-21","18:00:00",""
"4032026","9.3963","0.0005","7.9827","0.0004","23.0568","0.0016","90","","93.8","0.006","90","","1725.64","0.17","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 B S -","- C21 H19 B S -","- C84 H76 B4 S4 -","4","1","","Messersmith, Reid E.; Siegler, Maxime A.; Tovar, John D.","Aromaticity Competition in Differentially Fused Borepin-Containing Polycyclic Aromatics.","The Journal of organic chemistry","2016","81","13","5595","5605","10.1021/acs.joc.6b00927","","","0.71073","MoKα","","0.0602","0.046","","","0.1116","0.1206","","","","","","1.073","","","","has coordinates,has disorder","184176","2020-10-21","18:00:00",""
"4032027","7.7856","0.0003","11.4781","0.0004","12.1","0.0004","115.871","0.003","100.097","0.003","94.798","0.003","942.08","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 B S -","- C25 H21 B S -","- C50 H42 B2 S2 -","2","1","","Messersmith, Reid E.; Siegler, Maxime A.; Tovar, John D.","Aromaticity Competition in Differentially Fused Borepin-Containing Polycyclic Aromatics.","The Journal of organic chemistry","2016","81","13","5595","5605","10.1021/acs.joc.6b00927","","","0.71073","MoKα","","0.0479","0.0437","","","0.1126","0.1157","","","","","","1.028","","","","has coordinates","184177","2020-10-21","18:00:00",""
"4032028","10.168","0.003","15.7","0.004","11.009","0.003","90","","94.542","0.005","90","","1751.9","0.8","298","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O S -","- C22 H16 O S -","- C88 H64 O4 S4 -","4","1","","Zhang, Xing-Song; Jiao, Jun-Ying; Zhang, Xiao-Hong; Hu, Bo-Lun; Zhang, Xing-Guo","Synthesis of 2-Sulfenylindenones via One-Pot Tandem Meyer-Schuster Rearrangement and Radical Cyclization of Arylpropynols with Disulfides.","The Journal of organic chemistry","2016","81","13","5710","5716","10.1021/acs.joc.6b00762","","","0.71073","MoKα","","0.0618","0.0422","","","0.1305","0.1417","","","","","","1.045","","","","has coordinates","184178","2020-10-21","18:00:00",""
"4032029","9.368","0.002","15.869","0.004","12.83","0.003","90","","93.658","0.003","90","","1903.4","0.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Kong, De-Long; Cheng, Liang; Yue, Tao; Wu, Hong-Ru; Feng, Wei-Chun; Wang, Dong; Liu, Li","Cobalt-Catalyzed Peroxidation of 2-Oxindoles with Hydroperoxides.","The Journal of organic chemistry","2016","81","13","5337","5344","10.1021/acs.joc.6b00622","","","0.71073","MoKα","","0.0981","0.089","","","0.2619","0.2728","","","","","","1.983","","","","has coordinates","184179","2020-10-21","18:00:00",""
"4032030","7.74","0.0015","15.74","0.003","10.99","0.002","90","","90.17","0.03","90","","1338.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C54 H66 N6 O10 -","2","1","","Zou, Gong-Feng; Zhang, Shi-Qiang; Wang, Jia-Xin; Liao, Wei-Wei","Asymmetric Construction of Functionalized 1,2-Dihydropyridine and Pyridine Derivatives with Adjacent Stereocenters via a Unified Metal-Free Catalytic Approach.","The Journal of organic chemistry","2016","81","13","5717","5725","10.1021/acs.joc.6b00791","","","0.71073","MoKα","","0.055","0.0405","","","0.0968","0.1043","","","","","","1.053","","","","has coordinates","184180","2020-10-21","18:00:00",""
"4032031","11.3822","0.0009","13.3519","0.001","16.9247","0.0013","90","","90","","90","","2572.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br N3 O4 -","- C27 H22 Br N3 O4 -","- C108 H88 Br4 N12 O16 -","4","1","","Zou, Gong-Feng; Zhang, Shi-Qiang; Wang, Jia-Xin; Liao, Wei-Wei","Asymmetric Construction of Functionalized 1,2-Dihydropyridine and Pyridine Derivatives with Adjacent Stereocenters via a Unified Metal-Free Catalytic Approach.","The Journal of organic chemistry","2016","81","13","5717","5725","10.1021/acs.joc.6b00791","","","0.71073","MoKα","","0.1693","0.0627","","","0.142","0.1788","","","","","","0.99","","","","has coordinates","184181","2020-10-21","18:00:00",""
"4032032","8.4691","0.0003","16.8355","0.0008","19.884","0.0007","90","","90.96","0.003","90","","2834.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O2 S -","- C29 H30 N2 O2 S -","- C116 H120 N8 O8 S4 -","4","1","","Huang, Xin; Liu, Miao; Pham, Kenny; Zhang, Xiaofeng; Yi, Wen-Bin; Jasinski, Jerry P.; Zhang, Wei","Organocatalytic One-Pot Asymmetric Synthesis of Thiolated Spiro-γ-lactam Oxindoles Bearing Three Stereocenters.","The Journal of organic chemistry","2016","81","13","5362","5369","10.1021/acs.joc.6b00653","","","0.71073","MoKα","","0.1258","0.0851","","","0.2326","0.2707","","","","","","1.025","","","","has coordinates","184182","2020-10-21","18:00:00",""
"4032033","9.0167","0.0008","9.9451","0.0009","12.302","0.0011","90","","106.426","0.001","90","","1058.12","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H17 Cl N4 O5 -","- C23 H17 Cl N4 O5 -","- C46 H34 Cl2 N8 O10 -","2","1","","You, Yong; Wu, Zhi-Jun; Chen, Jian-Feng; Wang, Zhen-Hua; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael Addition of 3-Pyrrolyloxindoles to β-Phthalimidonitroethene for the Synthesis of 3,3'-Disubstituted Oxindoles Bearing Contiguous 3,α,β-Triamino Functionality.","The Journal of organic chemistry","2016","81","13","5759","5765","10.1021/acs.joc.6b00896","","","0.71073","MoKα","","0.0304","0.0289","","","0.0767","0.0778","","","","","","1.053","","","","has coordinates","184183","2020-10-21","18:00:00",""
"4032034","18.9912","0.0006","9.2127","0.0003","12.1513","0.0003","90","","113.891","0.001","90","","1943.83","0.1","100","2","100","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 F5 O2 S -","- C9 H5 F5 O2 S -","- C72 H40 F40 O16 S8 -","8","1","","Ponomarenko, Maksym V.; Grabowsky, Simon; Pal, Rumpa; Röschenthaler, Gerd-Volker; Fokin, Andrey A.","SF5-Enolates in Ti(IV)-Mediated Aldol Reactions.","The Journal of organic chemistry","2016","81","15","6783","6791","10.1021/acs.joc.6b00946","","x-ray","0.71073","MoKα","","0.0395","0.0326","","","0.0842","0.089","","","","","","1.062","","","","has coordinates","186254","2020-10-21","18:00:00",""
"4032035","14.587","0.003","6.5046","0.0013","15.2015","0.0019","90","","116.131","0.006","90","","1294.9","0.4","100","2","100","2","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F5 N O5 S -","- C10 H10 F5 N O5 S -","- C40 H40 F20 N4 O20 S4 -","4","1","","Ponomarenko, Maksym V.; Grabowsky, Simon; Pal, Rumpa; Röschenthaler, Gerd-Volker; Fokin, Andrey A.","SF5-Enolates in Ti(IV)-Mediated Aldol Reactions.","The Journal of organic chemistry","2016","81","15","6783","6791","10.1021/acs.joc.6b00946","","x-ray","0.71073","MoKα","","0.0416","0.034","","","0.0866","0.0917","","","","","","1.01","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4032036","8.4711","0.0002","8.8607","0.0002","8.9602","0.0002","99.478","0.001","110.838","0.001","95.682","0.001","610.85","0.02","100","2","100","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C11 H11 F5 O3 S -","- C11 H11 F5 O3 S -","- C22 H22 F10 O6 S2 -","2","1","","Ponomarenko, Maksym V.; Grabowsky, Simon; Pal, Rumpa; Röschenthaler, Gerd-Volker; Fokin, Andrey A.","SF5-Enolates in Ti(IV)-Mediated Aldol Reactions.","The Journal of organic chemistry","2016","81","15","6783","6791","10.1021/acs.joc.6b00946","","x-ray","0.71073","MoKα","","0.0389","0.033","","","0.0867","0.0922","","","","","","1.031","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4032052","11.6048","0.0002","13.5575","0.0002","15.1224","0.0002","74.397","0.001","75.404","0.001","84.186","0.001","2216.17","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 O11 Os3 P -","- C44 H49 O11 Os3 P -","- C88 H98 O22 Os6 P2 -","2","1","","Park, Boyoung Y.; Luong, Tom; Sato, Hiroki; Krische, Michael J.","Osmium(0)-Catalyzed C-C Coupling of Ethylene and α-Olefins with Diols, Ketols, or Hydroxy Esters via Transfer Hydrogenation.","The Journal of organic chemistry","2016","81","18","8585","8594","10.1021/acs.joc.6b01923","","","1.54184","CuKα","","0.0229","0.0222","","","0.0515","0.0517","","","","","","1.004","","","","has coordinates","186958","2020-10-21","18:00:00",""
"4032053","5.8411","0.0007","15.53","0.003","25.512","0.002","90","","95.069","0.009","90","","2305.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Br2 O4 S -","- C22 H28 Br2 O4 S -","- C88 H112 Br8 O16 S4 -","4","1","","Park, Boyoung Y.; Luong, Tom; Sato, Hiroki; Krische, Michael J.","Osmium(0)-Catalyzed C-C Coupling of Ethylene and α-Olefins with Diols, Ketols, or Hydroxy Esters via Transfer Hydrogenation.","The Journal of organic chemistry","2016","81","18","8585","8594","10.1021/acs.joc.6b01923","","","1.54184","CuKα","","0.1218","0.0666","","","0.1391","0.1651","","","","","","1.009","","","","has coordinates","186958","2020-10-21","18:00:00",""
"4032054","9.022","0.004","11.781","0.006","15.387","0.008","98.559","0.013","101.929","0.013","90.335","0.012","1581.2","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Br2 N2 O2 -","- C36 H32 Br2 N2 O2 -","- C72 H64 Br4 N4 O4 -","2","1","","Hu, Weiming; Yu, Jin-Tao; Ye, Dengman; Zhou, Zhou; Sun, Song; Cheng, Jiang","Iron-Mediated Annulation between Methylene Ketones and Diethanolamines: A Sustainable and Scalable Procedure toward N-(2-Hydroxyethyl) Pyrroles.","The Journal of organic chemistry","2016","81","19","9389","9395","10.1021/acs.joc.6b01195","","","0.71073","MoKα","","0.1474","0.0921","","","0.2435","0.2918","","","","","","0.948","","","","has coordinates,has disorder","187937","2020-10-21","18:00:00",""
"4032056","15.8194","0.0004","7.2095","0.0002","38.1891","0.0009","90","","90","","90","","4355.47","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","XZ-C1","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C192 H176 N16 O48 -","16","4","","Xuan, Zi; Jung, Da Jung; Jeon, Hyun Ji; Lee, Sang-Gi","Pd-Catalyzed Aminocarbonylation of the Blaise Reaction Intermediate: One-Pot Synthesis of (Z)-3-Methyleneisoindolin-1-ones from Nitriles.","The Journal of organic chemistry","2016","81","20","10094","","10.1021/acs.joc.6b02095","","","0.71073","","","0.1756","0.0569","","","0.1381","0.1656","","","","","","0.916","","","","has coordinates","187936","2020-10-21","18:00:00",""
"4032059","7.5026","0.0005","20.3104","0.0014","12.4356","0.0008","90","","94.704","0.002","90","","1888.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C92 H72 N8 O12 S4 -","4","1","","Zheng, Yang; Zhang, Xiaolu; Yao, Ruwei; Wen, Yuecheng; Huang, Jingjing; Xu, Xinfang","1,3-Dipolar Cycloaddition of Alkyne-Tethered N-Tosylhydrazones: Synthesis of Fused Polycyclic Pyrazoles.","The Journal of organic chemistry","2016","81","22","11072","","10.1021/acs.joc.6b02076","","","0.71073","MoKα","","0.0617","0.0447","","","0.0996","0.1089","","","","","","1.058","","","","has coordinates","188909","2020-10-21","18:00:00",""
"4036366","33.592","0.002","11.1346","0.0007","18.5547","0.0011","90","","113.102","0.001","90","","6383.5","0.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H41 Cl N4 -","- C27 H41 Cl N4 -","- C216 H328 Cl8 N32 -","8","1","","Belding, Lee; Stoyanov, Peter; Dudding, Travis","Synthesis, Theoretical Analysis, and Experimental pKa Determination of a Fluorescent, Nonsymmetric, In-Out Proton Sponge.","The Journal of organic chemistry","2016","81","1","6","13","10.1021/acs.joc.5b01743","","","0.71073","MoKα","","0.0816","0.0458","","","0.1285","0.1432","","","","","","1.068","","","","has coordinates","234612","2020-10-21","18:00:00",""
"4036415","16.157","0.003","9.129","0.0018","16.109","0.003","90","","90.44","0.03","90","","2376","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N O2 P -","- C29 H26 N O2 P -","- C116 H104 N4 O8 P4 -","4","1","","Zhang, Honglin; Gu, Zhangxi; Li, Zhenyi; Pan, Changduo; Li, Weipeng; Hu, Hongwen; Zhu, Chengjian","Silver-Catalyzed Cascade Radical Cyclization: A Direct Approach to 3,4-Disubstituted Dihydroquinolin-2(1H)-ones through Activation of the P-H Bond and Functionalization of the C(sp(2))-H Bond.","The Journal of organic chemistry","2016","81","5","2122","2127","10.1021/acs.joc.5b01879","","","0.71073","MoKα","","0.1739","0.0751","","","0.0925","0.1115","","","","","","1.007","","","","has coordinates","234657","2020-10-21","18:00:00",""
"4036445","12.1351","0.0013","10.8659","0.0012","28.897","0.003","90","","90.356","0.002","90","","3810.2","0.7","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F3 N O -","- C24 H18 F3 N O -","- C192 H144 F24 N8 O8 -","8","2","","Liu, Kai; Chen, Shuang; Li, Xing Guang; Liu, Pei Nian","Multicomponent Cascade Synthesis of Trifluoroethyl Isoquinolines from Alkynes and Vinyl Azides.","The Journal of organic chemistry","2016","81","1","265","270","10.1021/acs.joc.5b01995","","","0.71073","MoKα","","0.0761","0.0435","","","0.0941","0.1101","","","","","","0.989","","","","has coordinates","234701","2020-10-21","18:00:00",""
"4036462","12.326","0.002","8.3378","0.0015","16.792","0.003","90","","109.366","0.004","90","","1628.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Miao, Chun-Bao; Zeng, Yu-Mei; Shi, Tong; Liu, Rui; Wei, Peng-Fei; Sun, Xiao-Qiang; Yang, Hai-Tao","2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations.","The Journal of organic chemistry","2016","81","1","43","50","10.1021/acs.joc.5b02054","","","0.71073","MoKα","","0.0919","0.0513","","","0.1464","0.171","","","","","","1.057","","","","has coordinates","234725","2020-10-21","18:00:00",""
"4036463","10.4215","0.0015","13.6655","0.0019","13.0813","0.0019","90","","105.12","0.003","90","","1798.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Miao, Chun-Bao; Zeng, Yu-Mei; Shi, Tong; Liu, Rui; Wei, Peng-Fei; Sun, Xiao-Qiang; Yang, Hai-Tao","2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations.","The Journal of organic chemistry","2016","81","1","43","50","10.1021/acs.joc.5b02054","","","0.71073","MoKα","","0.0659","0.0475","","","0.1443","0.1617","","","","","","1.024","","","","has coordinates","234726","2020-10-21","18:00:00",""
"4036464","8.024","0.002","9.535","0.003","13.836","0.004","87.961","0.006","81.861","0.006","69.892","0.006","983.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C48 H46 N2 O8 -","2","1","","Miao, Chun-Bao; Zeng, Yu-Mei; Shi, Tong; Liu, Rui; Wei, Peng-Fei; Sun, Xiao-Qiang; Yang, Hai-Tao","2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations.","The Journal of organic chemistry","2016","81","1","43","50","10.1021/acs.joc.5b02054","","","0.71073","MoKα","","0.0603","0.0499","","","0.1349","0.1414","","","","","","1.088","","","","has coordinates","234727","2020-10-21","18:00:00",""
"4036480","6.3703","0.0009","12.1555","0.0018","15.503","0.002","108.683","0.002","98.291","0.002","100.081","0.002","1093.5","0.3","100.03","","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 N4 O P S -","- C23 H25 N4 O P S -","- C46 H50 N8 O2 P2 S2 -","2","1","","Mulla, Karimulla; Aleshire, Kyle L.; Forster, Paul M.; Kang, Jun Yong","Utility of Bifunctional N-Heterocyclic Phosphine (NHP)-Thioureas for Metal-Free Carbon-Phosphorus Bond Construction toward Regio- and Stereoselective Formation of Vinylphosphonates.","The Journal of organic chemistry","2016","81","1","77","88","10.1021/acs.joc.5b02184","","","0.71073","MoKα","","0.0385","0.0316","","","0.0775","0.0807","","","","","","1.037","","","","has coordinates","234750","2020-10-21","18:00:00",""
"4036481","18.5763","0.0009","9.734","0.0005","19.8284","0.001","90","","90","","90","","3585.4","0.3","100","","99.91","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N2 O3 P -","- C20 H23 N2 O3 P -","- C160 H184 N16 O24 P8 -","8","1","","Mulla, Karimulla; Aleshire, Kyle L.; Forster, Paul M.; Kang, Jun Yong","Utility of Bifunctional N-Heterocyclic Phosphine (NHP)-Thioureas for Metal-Free Carbon-Phosphorus Bond Construction toward Regio- and Stereoselective Formation of Vinylphosphonates.","The Journal of organic chemistry","2016","81","1","77","88","10.1021/acs.joc.5b02184","","","0.71073","MoKα","","0.0388","0.0298","","","0.0768","0.0807","","","","","","0.999","","","","has coordinates","234751","2020-10-21","18:00:00",""
"4036490","8.1798","0.0002","18.7387","0.0005","26.748","0.0008","90","","90","","90","","4099.9","0.19","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H19 N O2 -","- C29 H19 N O2 -","- C232 H152 N8 O16 -","8","1","","Fischer, Fabian; Siegle, Alexander F.; Checinski, Marek; Fischer, Christine; Kral, Karolin; Thede, Richard; Trapp, Oliver; Hapke, Marko","Synthesis of Naphthylpyridines from Unsymmetrical Naphthylheptadiynes and the Configurational Stability of the Biaryl Axis.","The Journal of organic chemistry","2016","81","8","3087","3102","10.1021/acs.joc.5b02190","","","1.54178","CuKα","","0.0372","0.0337","","","0.0847","0.0877","","","","","","1.048","","","","has coordinates","234764","2020-10-21","18:00:00",""
"4036506","6.7926","0.0005","14.0221","0.0009","16.7829","0.0011","90","","90","","90","","1598.51","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-([1,1'-biphenyl]-2,2'-diyl)-bis(N-methylacetamide)","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0509","0.0427","","","0.1242","0.1388","","","","","","1.091","","","","has coordinates","276330","2022-06-28","15:14:19",""
"4036507","9.7641","0.0004","8.7428","0.0003","17.2364","0.0007","90","","101.718","0.002","90","","1440.73","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-Biphenyl-2,2'-diamine acetamide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0894","0.0759","","","0.2292","0.2399","","","","","","1.135","","","","has coordinates","276330","2022-06-28","15:14:20",""
"4036508","13.1234","0.0004","15.3338","0.0004","16.3896","0.0005","90","","90","","90","","3298.11","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","1,1'-Biphenyl-2,2'-diamine bis(trifluoromethylacetamide)","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C128 H80 F48 N16 O16 -","8","1","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0464","0.0356","","","0.0838","0.0943","","","","","","1.065","","","","has coordinates,has disorder","276330","2022-06-28","15:14:20",""
"4036509","18.2405","0.0008","7.4669","0.0004","27.6578","0.0012","90","","90","","90","","3767","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,1'-Biphenyl-2,2'-diamine diisobutyramide","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C160 H192 N16 O16 -","8","2","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0973","0.0682","","","0.1686","0.1913","","","","","","0.975","","","","has coordinates","276330","2022-06-28","15:14:20",""
"4036511","9.554","0.004","25.347","0.01","12.978","0.005","90","","102.53","0.007","90","","3068","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N O5 P -","- C28 H30 N O5 P -","- C112 H120 N4 O20 P4 -","4","1","","Vélez Del Burgo, Ander; Ochoa de Retana, Ana M.; de Los Santos, Jesús M; Palacios, Francisco","Reaction of 2H-Azirine-Phosphine Oxides and -Phosphonates with Enolates Derived from β-Keto Esters.","The Journal of organic chemistry","2016","81","1","100","108","10.1021/acs.joc.5b02347","","","0.71073","MoKα","","0.1332","0.0939","","","0.2851","0.3047","","","","","","1.014","","","","has coordinates","234796","2020-10-21","18:00:00",""
"4036512","8.587","0.003","10.068","0.004","13.25","0.005","102.196","0.005","101.982","0.005","99.839","0.007","1067.3","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N O3 P -","- C23 H24 N O3 P -","- C46 H48 N2 O6 P2 -","2","1","","Vélez Del Burgo, Ander; Ochoa de Retana, Ana M.; de Los Santos, Jesús M; Palacios, Francisco","Reaction of 2H-Azirine-Phosphine Oxides and -Phosphonates with Enolates Derived from β-Keto Esters.","The Journal of organic chemistry","2016","81","1","100","108","10.1021/acs.joc.5b02347","","","0.71073","MoKα","","0.1557","0.1185","","","0.3372","0.3576","","","","","","1.171","","","","has coordinates","234798","2020-10-21","18:00:00",""
"4036513","5.1208","0.0004","7.8498","0.0008","11.9863","0.0012","99.256","0.004","91.114","0.007","100.217","0.007","467.43","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","(Z)-2-(chloromethyl)-3-(2-hydroxyphenyl)-2-propenoic acid","","- C10 H9 Cl O3 -","- C10 H9 Cl O3 -","- C20 H18 Cl2 O6 -","2","1","","Olomola, Temitope O.; Klein, Rosalyn; Caira, Mino R.; Kaye, Perry T.","Elucidating Latent Mechanistic Complexity in Competing Acid-Catalyzed Reactions of Salicylaldehyde-Derived Baylis-Hillman Adducts.","The Journal of organic chemistry","2016","81","1","109","120","10.1021/acs.joc.5b02372","","","0.71073","MoKα","","0.1025","0.0765","","","0.2063","0.2285","","","","","","1.044","","","","has coordinates","234799","2020-10-21","18:00:00",""
"4036515","6.4683","0.0009","13.4256","0.0019","11.0713","0.0016","90","","101.845","0.002","90","","941","0.2","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 Br N O -","- C23 H20 Br N O -","- C46 H40 Br2 N2 O2 -","2","1","","Hirata, Tomoaki; Takahashi, Isao; Suzuki, Yuya; Yoshida, Hiroaki; Hasegawa, Hiroshi; Kitagawa, Osamu","Catalytic Enantioselective Synthesis of N-C Axially Chiral Phenanthridin-6-one Derivatives.","The Journal of organic chemistry","2016","81","1","318","323","10.1021/acs.joc.5b02387","","","0.71073","MoKα","","0.0178","0.0171","","","0.0414","0.0417","","","","","","1.043","","","","has coordinates","234802","2020-10-21","18:00:00",""
"4036516","13.9681","0.0002","10.30952","0.00019","17.1108","0.0003","90","","92.2033","0.0016","90","","2462.21","0.07","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O6 Rh S -","- C24 H27.36 O6 Rh S -","- C96 H109.44 O24 Rh4 S4 -","4","1","","Zhao, Lili; Zhang, Hongyang; Wang, Yuanhua","Dirhodium(II)-Catalyzed Sulfide Oxygenations: Catalyst Removal by Coprecipitation with Sulfoxides.","The Journal of organic chemistry","2016","81","1","129","136","10.1021/acs.joc.5b02400","","x-ray","0.71073","MoKα","","0.0716","0.0426","","","0.086","0.0935","","","","","","1.112","","","","has coordinates,has disorder","234804","2020-10-21","18:00:00",""
"4036517","11.4979","0.0003","11.639","0.0002","14.4566","0.0003","113.631","0.0018","98.7999","0.0018","106.77","0.0018","1615.5","0.07","208.26","0.1","208.26","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 O8 Rh S2 -","- C32 H40 O8 Rh S2 -","- C64 H80 O16 Rh2 S4 -","2","1","","Zhao, Lili; Zhang, Hongyang; Wang, Yuanhua","Dirhodium(II)-Catalyzed Sulfide Oxygenations: Catalyst Removal by Coprecipitation with Sulfoxides.","The Journal of organic chemistry","2016","81","1","129","136","10.1021/acs.joc.5b02400","","x-ray","0.71073","MoKα","","0.0392","0.0333","","","0.0748","0.0783","","","","","","1.05","","","","has coordinates","234806","2020-10-21","18:00:00",""
"4036518","12.5293","0.0002","15.6705","0.0004","7.8287","0.0002","90","","107.814","0.002","90","","1463.39","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N3 O2 -","- C15 H10 Br N3 O2 -","- C60 H40 Br4 N12 O8 -","4","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.0552","0.0341","","","0.0899","0.1108","","","","","","1.132","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036519","10.3978","0.0005","8.8539","0.0004","18.5649","0.001","90","","101.21","0.005","90","","1676.5","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N3 O4 -","- C17 H12 Cl N3 O4 -","- C68 H48 Cl4 N12 O16 -","4","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.1195","0.0949","","","0.2971","0.3233","","","","","","1.039","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036520","8.1048","0.0003","9.4611","0.0004","11.8699","0.0006","89.649","0.004","83.896","0.004","77.526","0.003","883.53","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Cl3 N3 O4 -","- C17 H10 Cl3 N3 O4 -","- C34 H20 Cl6 N6 O8 -","2","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.0527","0.0407","","","0.0986","0.1054","","","","","","1.103","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036521","7.9251","0.0004","8.593","0.0005","11.6468","0.0007","69.962","0.005","74.221","0.005","85.653","0.004","716.93","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C32 H20 N8 O4 -","2","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.0853","0.0652","","","0.1859","0.201","","","","","","1.081","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036522","9.8681","0.0003","19.3196","0.0006","11.1852","0.0004","90","","111.754","0.002","90","","1980.57","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C80 H72 Cl4 N12 O12 -","4","2","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71072","MoKα","","0.1419","0.076","","","0.1983","0.2475","","","","","","1.128","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036523","26.828","0.003","21.29","0.002","8.1758","0.0008","90","","90","","90","","4669.8","0.8","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3 in paper","","","- C50 H58 Cl4 O6 -","- C50 H58 Cl4 O6 -","- C200 H232 Cl16 O24 -","4","0.5","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1222","0.0884","","","0.2314","0.2601","","","","","","1.048","","","","has coordinates,has disorder","234810","2020-10-21","18:00:00",""
"4036524","25.7088","0.0014","8.779","0.0005","27.1747","0.0016","90","","108.187","0.0016","90","","5826.9","0.6","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6 in paper","","","- C66 H90 O6 -","- C66 H90 O6 -","- C264 H360 O24 -","4","1","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1216","0.0684","","","0.1702","0.2009","","","","","","1.034","","","","has coordinates,has disorder","234812","2020-10-21","18:00:00",""
"4036525","6.4102","0.0014","40.028","0.008","16.89","0.004","90","","90.352","0.006","90","","4333.7","1.6","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4 in paper","","","- C49 H56 Cl2 O6 -","- C49 H56 Cl2 O6 -","- C196 H224 Cl8 O24 -","4","0.5","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1833","0.0953","","","0.2334","0.2832","","","","","","1.042","","","","has coordinates,has disorder","234815","2020-10-21","18:00:00",""
"4036526","8.5192","0.0007","15.3684","0.0013","20.385","0.0017","87.9604","0.0015","82.649","0.0014","81.3905","0.0015","2616.8","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","5 in paper","","","- C56 H70 Cl4 O6 -","- C56 H70 Cl4 O6 -","- C112 H140 Cl8 O12 -","2","1","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1203","0.0644","","","0.1374","0.1649","","","","","","1.025","","","","has coordinates,has disorder","234816","2020-10-21","18:00:00",""
"4036527","16.483","0.003","17.791","0.003","12.945","0.002","90","","91.095","0.006","90","","3795.4","1.1","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1 in paper","","","- C39 H36 Cl6 O6 -","- C39 H36 Cl6 O6 -","- C156 H144 Cl24 O24 -","4","0.5","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.2185","0.1549","","","0.2725","0.2979","","","","","","1.221","","","","has coordinates","234818","2020-10-21","18:00:00",""
"4036528","9.1337","0.0008","14.8366","0.0014","17.3737","0.0016","109.186","0.003","97.454","0.003","98.746","0.003","2156.6","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","2 in paper","","","- C45 H48 Cl6 O6 -","- C45 H48 Cl6 O6 -","- C90 H96 Cl12 O12 -","2","1","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1117","0.0697","","","0.1417","0.1715","","","","","","1.074","","","","has coordinates,has disorder","234819","2020-10-21","18:00:00",""
"4036529","17.8748","0.0009","7.8647","0.0004","10.3954","0.0005","90","","105.882","0.0006","90","","1405.6","0.12","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br F3 O6 S -","- C11 H10 Br F3 O6 S -","- C44 H40 Br4 F12 O24 S4 -","4","1","","Horn, Evan J.; Silverston, Joel S.; Vanderwal, Christopher D.","A Failed Late-Stage Epimerization Thwarts an Approach to Ineleganolide.","The Journal of organic chemistry","2016","81","5","1819","1838","10.1021/acs.joc.5b02550","","","0.71073","MoKα","","0.0232","0.0208","","","0.0549","0.0561","","","","","","1.051","","","","has coordinates","234821","2020-10-21","18:00:00",""
"4036530","20.31","0.006","7.868","0.002","6.8379","0.0019","90","","90","","90","","1092.7","0.5","143","2","143","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Horn, Evan J.; Silverston, Joel S.; Vanderwal, Christopher D.","A Failed Late-Stage Epimerization Thwarts an Approach to Ineleganolide.","The Journal of organic chemistry","2016","81","5","1819","1838","10.1021/acs.joc.5b02550","","","0.71073","MoKα","","0.0621","0.0449","","","0.1008","0.1117","","","","","","1.151","","","","has coordinates","234822","2020-10-21","18:00:00",""
"4036531","9.604","0.003","8.74","0.002","13.695","0.003","90","","96.535","0.004","90","","1142.1","0.5","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F -","- C18 H10 F -","- C72 H40 F4 -","4","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.2426","0.0748","","","0.1672","0.2132","","","","","","0.782","","","","has coordinates,has disorder","234824","2020-10-21","18:00:00",""
"4036532","25.004","0.014","9.417","0.005","5.912","0.003","90","","90","","90","","1392.1","1.3","421","2","421","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.047","0.0354","","","0.0782","0.0841","","","","","","1.035","","","","has coordinates","234827","2020-10-21","18:00:00",""
"4036533","13.173","0.002","5.8386","0.0009","15.894","0.002","90","","105.009","0.002","90","","1180.7","0.3","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H11 F -","- C18 H10 F -","- C72 H40 F4 -","4","2","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0706","0.0591","","","0.154","0.1645","","","","","","1.187","","","","has coordinates,has disorder","234829","2020-10-21","18:00:00",""
"4036534","5.7493","0.0003","13.9077","0.0008","14.6539","0.0009","90","","90","","90","","1171.72","0.12","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 F -","- C18 H10 F -","- C72 H40 F4 -","4","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0493","0.0436","","","0.108","0.1114","","","","","","1.073","","","","has coordinates,has disorder","234831","2020-10-21","18:00:00",""
"4036535","9.2304","0.0013","5.3143","0.0018","14.9947","0.0011","90","","104.81","","90","","711.1","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-fluorobenzo[g]chrysene","","- C22 H13 F -","- C22 H13 F -","- C44 H26 F2 -","2","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0547","0.0343","","","0.069","0.0745","","","","","","0.858","","","","has coordinates","234833","2020-10-21","18:00:00",""
"4036536","12.0445","0.0017","7.3901","0.001","31.14","0.004","90","","90","","90","","2771.8","0.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H13 F -","- C22 H13 F -","- C176 H104 F8 -","8","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.1105","0.0494","","","0.1201","0.1498","","","","","","1.025","","","","has coordinates","234835","2020-10-21","18:00:00",""
"4036537","22.64","0.04","6.163","0.012","8.231","0.015","90","","97.56","0.03","90","","1138","4","125","2","125","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 -","- C18 H12 -","- C72 H48 -","4","0.5","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0886","0.0544","","","0.1584","0.209","","","","","","1.039","","","","has coordinates","234837","2020-10-21","18:00:00",""
"4036538","7.7964","0.0007","11.2871","0.001","12.1556","0.001","85.121","0.003","86.964","0.002","82.875","0.002","1056.6","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C46 H48 Br2 N2 O8 -","2","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0361","0.0307","","","0.0775","0.0802","","","","","","1.043","","","","has coordinates","234839","2020-10-21","18:00:00",""
"4036539","10.8261","0.0008","13.3487","0.001","13.767","0.0012","90","","109.233","0.002","90","","1878.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Br N O4 -","- C19 H24 Br N O4 -","- C76 H96 Br4 N4 O16 -","4","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0708","0.04","","","0.091","0.1003","","","","","","1.039","","","","has coordinates","234840","2020-10-21","18:00:00",""
"4036540","19.972","0.0015","16.8768","0.0014","14.6858","0.0011","90","","102.828","0.003","90","","4826.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 F6 N O4 -","- C25 H23 F6 N O4 -","- C200 H184 F48 N8 O32 -","8","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0797","0.0458","","","0.1053","0.1209","","","","","","1.017","","","","has coordinates,has disorder","234842","2020-10-21","18:00:00",""
"4036541","7.886","0.002","16.68","0.005","9.935","0.003","90","","102.028","0.007","90","","1278.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O4 -","- C12 H15 N3 O4 -","- C48 H60 N12 O16 -","4","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0792","0.0655","","","0.1778","0.1864","","","","","","1.166","","","","has coordinates,has disorder","234844","2020-10-21","18:00:00",""
"4036542","13.1005","0.0006","15.4782","0.0008","11.8098","0.0006","90","","96.704","0.0014","90","","2378.3","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl F7 N4 O6 -","- C21 H16 Cl F7 N4 O6 -","- C84 H64 Cl4 F28 N16 O24 -","4","1","","Luo, Qiang; Liu, Chunmei; Tong, Jingjing; Shao, Ying; Shan, Wenyu; Wang, Hanghang; Zheng, Hao; Cheng, Jiang; Wan, Xiaobing","Cu-Catalyzed Multicomponent Reaction of Styrenes, Perfluoroalkyl Halide, Alcohol, and tert-Butyl Hydroperoxide: One-Pot Synthesis of (Z)-β-Alkoxyperfluoroalkenone.","The Journal of organic chemistry","2016","81","8","3103","3111","10.1021/acs.joc.5b02664","","","0.71073","MoKα","","0.0659","0.0394","","","0.084","0.0942","","","","","","1.016","","","","has coordinates","234846","2020-10-21","18:00:00",""
"4036543","12.8293","0.0007","7.2371","0.0004","20.234","0.0011","90","","94.7353","0.0013","90","","1872.25","0.18","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Singh, Latika; Pressly, Brandon; Mengeling, Brenda J.; Fettinger, James C.; Furlow, J. David; Lein, Pamela J.; Wulff, Heike; Singh, Vikrant","Chasing the Elusive Benzofuran Impurity of the THR Antagonist NH-3: Synthesis, Isotope Labeling, and Biological Activity.","The Journal of organic chemistry","2016","81","5","1870","1876","10.1021/acs.joc.5b02665","","","1.54178","CuKα","","0.0375","0.0367","","","0.0961","0.0967","","","","","","1.063","","","","has coordinates","234848","2020-10-21","18:00:00",""
"4036544","40.9253","0.0008","5.5276","0.0001","24.9684","0.0005","90","","91.4288","0.0008","90","","5646.56","0.19","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Cl3 N O6 -","- C29 H28 Cl3 N O6 -","- C232 H224 Cl24 N8 O48 -","8","1","","Singh, Latika; Pressly, Brandon; Mengeling, Brenda J.; Fettinger, James C.; Furlow, J. David; Lein, Pamela J.; Wulff, Heike; Singh, Vikrant","Chasing the Elusive Benzofuran Impurity of the THR Antagonist NH-3: Synthesis, Isotope Labeling, and Biological Activity.","The Journal of organic chemistry","2016","81","5","1870","1876","10.1021/acs.joc.5b02665","","","1.54178","CuKα","","0.0445","0.0396","","","0.1047","0.1087","","","","","","1.045","","","","has coordinates,has disorder","234850","2020-10-21","18:00:00",""
"4036545","9.61329","0.00018","9.54113","0.00015","16.1853","0.0003","90","","96.3113","0.0018","90","","1475.55","0.05","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 N4 O6 S2 -","- C24 H40 N4 O6 S2 -","- C48 H80 N8 O12 S4 -","2","1","","Martí-Centelles, Vicente; Burguete, M. Isabel; Luis, Santiago V.","Macrocycle Synthesis by Chloride-Templated Amide Bond Formation.","The Journal of organic chemistry","2016","81","5","2143","2147","10.1021/acs.joc.5b02676","","x-ray","1.54184","CuKα","","0.0448","0.0438","","","0.1215","0.1231","","","","","","1.052","","","","has coordinates,has disorder","234852","2020-10-21","18:00:00",""
"4036546","12.5875","0.0004","11.6251","0.0003","15.0354","0.0004","90","","109.377","0.006","90","","2075.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 Br N3 O4 -","- C22 H20 Br N3 O4 -","- C88 H80 Br4 N12 O16 -","4","1","","Stucchi, Mattia; Lesma, Giordano; Meneghetti, Fiorella; Rainoldi, Giulia; Sacchetti, Alessandro; Silvani, Alessandra","Organocatalytic Asymmetric Biginelli-like Reaction Involving Isatin.","The Journal of organic chemistry","2016","81","5","1877","1884","10.1021/acs.joc.5b02680","","x-ray","0.71073","MoKα","","0.0714","0.0443","","","0.12","0.1363","","","","","","1.047","","","","has coordinates","234853","2020-10-21","18:00:00",""
"4036547","9.7985","0.0003","10.1396","0.0004","19.4403","0.0007","89.593","0.001","83.894","0.001","68.851","0.001","1790.12","0.11","150","2","150","2","","","","","","","synthesized by the authors","6","P 1","P 1","1","","","","- C38 H36 F6 N3 O6.5 S2 -","- C38 H36 F6 N3 O6.5 S2 -","- C76 H72 F12 N6 O13 S4 -","2","2","","Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Helquat Dyes: Helicene-like Push-Pull Systems with Large Second-Order Nonlinear Optical Responses.","The Journal of organic chemistry","2016","81","5","1912","1920","10.1021/acs.joc.5b02692","","","0.71073","MoKα","","0.0813","0.0712","","","0.1899","0.2011","","","","","","1.013","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4036548","8.385","0.0012","23.46","0.003","15.353","0.002","90","","96.621","0.007","90","","3000","0.7","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 F12 N3 P2 -","- C30 H29 F12 N3 P2 -","- C120 H116 F48 N12 P8 -","4","1","","Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Helquat Dyes: Helicene-like Push-Pull Systems with Large Second-Order Nonlinear Optical Responses.","The Journal of organic chemistry","2016","81","5","1912","1920","10.1021/acs.joc.5b02692","","","0.71073","MoKα","","0.0634","0.0528","","","0.1483","0.1578","","","","","","1.042","","","","has coordinates","234857","2020-10-21","18:00:00",""
"4036549","5.8866","0.0002","8.325","0.0002","38.2408","0.001","90","","90","","90","","1874.03","0.09","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F N3 O5 S -","- C17 H20 F N3 O5 S -","- C68 H80 F4 N12 O20 S4 -","4","1","","Wu, Yong-Jin; Guernon, Jason; Park, Hyunsoo; Thompson, Lorin A.","Expedient Synthesis of Furo[2,3-d][1,3]thiazinamines and Pyrano[2,3-d][1,3]thiazinamines from Enones and Thiourea.","The Journal of organic chemistry","2016","81","8","3386","3390","10.1021/acs.joc.5b02705","","x-ray","1.54178","CuKα","","0.0272","0.0267","","","0.0723","0.0727","","","","","","1.046","","","","has coordinates","234859","2020-10-21","18:00:00",""
"4036550","5.8864","0.0002","8.3268","0.0003","38.2524","0.0012","90","","90","","90","","1874.94","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F N3 O5 S -","- C17 H20 F N3 O5 S -","- C68 H80 F4 N12 O20 S4 -","4","1","","Wu, Yong-Jin; Guernon, Jason; Park, Hyunsoo; Thompson, Lorin A.","Expedient Synthesis of Furo[2,3-d][1,3]thiazinamines and Pyrano[2,3-d][1,3]thiazinamines from Enones and Thiourea.","The Journal of organic chemistry","2016","81","8","3386","3390","10.1021/acs.joc.5b02705","","x-ray","1.54178","CuKα","","0.0262","0.026","","","0.0678","0.0679","","","","","","1.087","","","","has coordinates","234859","2020-10-21","18:00:00",""
"4036551","9.8803","0.0007","10.8574","0.0007","12.6802","0.0009","82.68","0.003","70.815","0.003","83.638","0.003","1270.79","0.15","122","2","122","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H19 B N6 O -","- C33 H19 B N6 O -","- C66 H38 B2 N12 O2 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0631","0.0437","","","0.0971","0.106","","","","","","1.041","","","","has coordinates","234862","2020-10-21","18:00:00",""
"4036552","8.0159","0.0011","12.6153","0.0013","17.649","0.002","91.609","0.004","94.08","0.005","104.775","0.004","1719.4","0.4","122","2","122","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H29 B Fe N6 Si -","- C41 H29 B Fe N6 Si -","- C82 H58 B2 Fe2 N12 Si2 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0765","0.0497","","","0.1087","0.1192","","","","","","1.039","","","","has coordinates","234863","2020-10-21","18:00:00",""
"4036553","11.5499","0.0018","13.613","0.002","13.749","0.002","72.403","0.006","68.708","0.006","83.03","0.006","1919.8","0.5","122","2","122","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H38 B N7 -","- C50 H38 B N7 -","- C100 H76 B2 N14 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0839","0.0556","","","0.1303","0.1444","","","","","","1.016","","","","has coordinates","234865","2020-10-21","18:00:00",""
"4036554","10.052","0.003","11.868","0.004","12.406","0.004","103.051","0.011","105.779","0.011","107.469","0.011","1280.1","0.7","122","2","122","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H21 B Fe N6 -","- C34 H21 B Fe N6 -","- C68 H42 B2 Fe2 N12 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0584","0.0412","","","0.1072","0.1181","","","","","","1.0567","","","","has coordinates","234867","2020-10-21","18:00:00",""
"4036555","12.4475","0.0011","10.8201","0.0009","17.2007","0.0012","90","","97.504","0.009","90","","2296.8","0.3","294.13","0.1","294.13","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 O3 -","- C25 H32 O3 -","- C100 H128 O12 -","4","1","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","0.7107","MoKα","","0.1248","0.072","","","0.1749","0.224","","","","","","1.036","","","","has coordinates","234868","2020-10-21","18:00:00",""
"4036556","10.4772","0.0012","37.395","0.005","6.0408","0.0007","90","","97.275","0.01","90","","2347.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","0.7107","MoKα","","0.165","0.0923","","","0.1996","0.2528","","","","","","1.052","","","","has coordinates","234870","2020-10-21","18:00:00",""
"4036557","10.239","0.0004","19.3276","0.0007","12.6233","0.0006","90","","99.987","0.004","90","","2460.24","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 O4 -","- C26 H36 O4 -","- C104 H144 O16 -","4","1","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","0.7107","MoKα","","0.111","0.0654","","","0.1695","0.2047","","","","","","1.054","","","","has coordinates","234871","2020-10-21","18:00:00",""
"4036558","9.0267","0.0009","11.728","0.0013","17.0697","0.0019","94.502","0.009","93.203","0.008","109.533","0.01","1691.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","2","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","1.54184","CuKα","","0.0776","0.0659","","","0.1862","0.2018","","","","","","1.095","","","","has coordinates","234872","2020-10-21","18:00:00",""
"4036559","7.2483","0.0002","7.3559","0.0002","13.6601","0.0003","90","","92.012","0.002","90","","727.88","0.03","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Choe, Hyeonjeong; Pham, Thuy Trang; Lee, Joo Yun; Latif, Muhammad; Park, Haeil; Kang, Young Kee; Lee, Jongkook","Remote Stereoinductive Intramolecular Nitrile Oxide Cycloaddition: Asymmetric Total Synthesis and Structure Revision of (-)-11β-Hydroxycurvularin.","The Journal of organic chemistry","2016","81","6","2612","2617","10.1021/acs.joc.5b02760","","","0.71073","MoKα","","0.0382","0.0341","","","0.0723","0.0746","","","","","","1.039","","","","has coordinates","234874","2020-10-21","18:00:00",""
"4036560","7.5558","0.001","13.3993","0.0017","14.2195","0.0018","83.276","0.003","80.259","0.003","78.211","0.003","1383.8","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","54 in manuscript","","","- C28 H38 O5 Si -","- C28 H38 O5 Si -","- C56 H76 O10 Si2 -","2","1","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.075","0.0551","","","0.1162","0.1277","","","","","","1.138","","","","has coordinates,has disorder","234876","2020-10-21","18:00:00",""
"4036561","11.406","0.003","13.239","0.003","23.993","0.007","90","","90","","90","","3623","1.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","57 in manuscript","","","- C32 H59 N O4 Si2 -","- C32 H59 N O4 Si2 -","- C128 H236 N4 O16 Si8 -","4","1","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0796","0.0528","","","0.1101","0.1188","","","","","","0.886","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036562","11.4204","0.0008","17.2635","0.0013","33.066","0.003","90","","90","","90","","6519.2","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","41 in manuscript","","","- C29 H52 N O4 Si -","- C29 H52 N O4 Si -","- C232 H416 N8 O32 Si8 -","8","2","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0583","0.044","","","0.1004","0.1078","","","","","","1.047","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036563","14.6819","0.0006","27.0915","0.0011","15.1614","0.0007","90","","91.392","0.001","90","","6028.7","0.4","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","72 in manuscript","","","- C26 H44 O4 Si2 -","- C26 H44 O4 Si2 -","- C208 H352 O32 Si16 -","8","4","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0874","0.0584","","","0.1432","0.1606","","","","","","1.011","","","","has coordinates,has disorder","234876","2020-10-21","18:00:00",""
"4036564","15.6","0.004","15.6","0.004","22.648","0.007","90","","90","","90","","5512","3","200","2","200","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","67 in manuscript","","","- C26 H42 N O4 -","- C26 H42 N O4 -","- C208 H336 N8 O32 -","8","1","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0761","0.058","","","0.1505","0.1625","","","","","","1.05","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036565","8.4568","0.0006","8.586","0.0004","13.1824","0.0007","99.649","0.004","94.116","0.005","94.563","0.005","937.11","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Br F3 O4 S -","- C19 H14 Br F3 O4 S -","- C38 H28 Br2 F6 O8 S2 -","2","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.0474","0.0402","","","0.1018","0.11","","","","","","1.05","","","","has coordinates","234879","2020-10-21","18:00:00",""
"4036566","17.2307","0.0004","5.43162","0.00016","14.8169","0.0004","90","","98.184","0.002","90","","1372.6","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.0453","0.0376","","","0.12","0.1304","","","","","","1.024","","","","has coordinates","234880","2020-10-21","18:00:00",""
"4036567","14.3087","0.001","7.3431","0.0004","14.219","0.0009","90","","116.132","0.008","90","","1341.28","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl O2 -","- C17 H13 Cl O2 -","- C68 H52 Cl4 O8 -","4","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.0451","0.0368","","","0.0935","0.1017","","","","","","1.071","","","","has coordinates","234882","2020-10-21","18:00:00",""
"4036568","20.6536","0.0018","8.4595","0.0006","10.5343","0.0009","90","","102.696","0.008","90","","1795.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl F3 O4 S -","- C18 H12 Cl F3 O4 S -","- C72 H48 Cl4 F12 O16 S4 -","4","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.1054","0.0934","","","0.1937","0.2041","","","","","","1.068","","","","has coordinates","234884","2020-10-21","18:00:00",""
"4036569","8.3281","0.0002","15.4335","0.0002","10.2295","0.0002","90","","111.229","0.003","90","","1225.59","0.05","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H36 N O6 P -","- C21 H36 N O6 P -","- C42 H72 N2 O12 P2 -","2","1","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","x-ray","1.54184","CuKα","","0.0318","0.0305","","","0.084","0.0856","","","","","","1.032","","","","has coordinates","234886","2020-10-21","18:00:00",""
"4036570","15.9524","0.0003","8.81848","0.00011","17.6457","0.0002","90","","104.134","0.0015","90","","2407.18","0.06","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 N O6 P -","- C21 H36 N O6 P -","- C84 H144 N4 O24 P4 -","4","1","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","x-ray","1.54184","CuKα","","0.046","0.0409","","","0.1147","0.1208","","","","","","1.059","","","","has coordinates,has disorder","234888","2020-10-21","18:00:00",""
"4036571","9.0756","0.0003","16.0249","0.0008","16.9442","0.0008","90","0.01","100.193","0.002","90","0.01","2425.4","0.19","298","","","","","","","","","","Local laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 N O5 P -","- C16.8 H30.4 N0.8 O4 P0.8 -","- C84 H152 N4 O20 P4 -","5","1.25","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","","0.71073","xray","","","0.062","","","0.095","","","","","1.996","1.996","","","","","has coordinates","234889","2020-10-21","18:00:00",""
"4036572","14.2019","0.001","12.1086","0.0007","14.2955","0.0008","90","","102.371","0.006","90","","2401.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 N O5 P -","- C21 H38 N O5 P -","- C84 H152 N4 O20 P4 -","4","1","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","x-ray","0.71073","MoKα","","0.1148","0.0712","","","0.1768","0.2049","","","","","","1.043","","","","has coordinates","234890","2020-10-21","18:00:00",""
"4036573","17.7101","0.0009","6.3887","0.0005","37.13","0.003","90","","95.118","0.007","90","","4184.3","0.5","273.77","0.1","273.77","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Br2 O2 -","- C26 H22 Br2 O2 -","- C208 H176 Br16 O16 -","8","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","x-ray","0.71073","MoKα","","0.1268","0.0704","","","0.1299","0.1549","","","","","","1.037","","","","has coordinates","234892","2020-10-21","18:00:00",""
"4036574","10.5292","0.0008","11.7378","0.001","25.986","0.002","81.345","0.007","85.62","0.006","68.07","0.007","2944.6","0.4","294.81","0.1","294.81","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10.15 H7.69 Cl1.54 N0.62 -","- C10.1538 H7.69231 Cl1.53846 N0.615385 -","- C132 H100 Cl20 N8 -","13","6.5","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.71073","MoKα","","0.1506","0.0926","","","0.2409","0.2943","","","","","","1.066","","","","has coordinates","234893","2020-10-21","18:00:00",""
"4036575","20.9274","0.001","15.0038","0.0006","6.3388","0.0004","90","","90","","90","","1990.32","0.18","291.73","0.1","291.73","0.1","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C27 H26 O -","- C27 H26 O -","- C108 H104 O4 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","x-ray","0.71073","MoKα","","0.1198","0.0816","","","0.2159","0.2766","","","","","","1.051","","","","has coordinates","234894","2020-10-21","18:00:00",""
"4036576","9.8861","0.0005","23.7464","0.0014","10.5247","0.0015","90","","96.553","0.007","90","","2454.6","0.4","295.6","0.2","295.6","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O4 -","- C30 H32 O4 -","- C120 H128 O16 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.7107","MoKα","","0.145","0.0769","","","0.1774","0.2243","","","","","","1.029","","","","has coordinates","234896","2020-10-21","18:00:00",""
"4036577","10.2489","0.0005","17.7216","0.001","13.0766","0.0006","90","","90.552","0.005","90","","2375","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F2 N2 -","- C32 H24 F2 N2 -","- C128 H96 F8 N8 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","1.54184","CuKα","","0.0601","0.0498","","","0.1276","0.14","","","","","","1.045","","","","has coordinates","234897","2020-10-21","18:00:00",""
"4036578","17.9484","0.0005","8.6969","0.0002","16.5941","0.0005","90","","109.72","0.003","90","","2438.35","0.12","298.5","1","298.5","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O3 -","- C30 H28 O3 -","- C120 H112 O12 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","1.5418","CuKα","","0.0687","0.0618","","","0.1839","0.193","","","","","","1.074","","","","has coordinates","234899","2020-10-21","18:00:00",""
"4036579","9.6832","0.0006","15.9129","0.0008","15.0454","0.0009","90","","91.068","0.005","90","","2317.9","0.2","295","1","295","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 O3 -","- C29 H28 O3 -","- C116 H112 O12 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.7107","MoKα","","0.0865","0.0598","","","0.1563","0.1739","","","","","","1.06","","","","has coordinates,has disorder","234900","2020-10-21","18:00:00",""
"4036580","10.8938","0.0019","33.139","0.005","11.704","0.002","90","","103.521","0.017","90","","4108.2","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 O3 -","- C55 H42 O3 -","- C220 H168 O12 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.7107","MoKα","","0.149","0.0792","","","0.1812","0.2195","","","","","","1.055","","","","has coordinates","234902","2020-10-21","18:00:00",""
"4036581","9.9179","0.0004","24.4164","0.0006","9.9702","0.0004","90","","118.045","0.005","90","","2130.88","0.17","288.42","0.1","288.42","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O4 -","- C24 H19 N3 O4 -","- C96 H76 N12 O16 -","4","1","","Li, Kaizhi; You, Jingsong","Cascade Oxidative Coupling/Cyclization: A Gateway to 3-Amino Polysubstituted Five-Membered Heterocycles.","The Journal of organic chemistry","2016","81","6","2327","2339","10.1021/acs.joc.5b02838","","x-ray","0.71073","MoKα","","0.0696","0.0482","","","0.1029","0.1138","","","","","","1.024","","","","has coordinates","234904","2020-10-21","18:00:00",""
"4036582","10.5769","0.0004","10.9393","0.0004","11.0491","0.0004","73.609","0.003","78.749","0.003","65.477","0.004","1111.37","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O3 -","- C26 H23 N3 O3 -","- C52 H46 N6 O6 -","2","1","","Li, Kaizhi; You, Jingsong","Cascade Oxidative Coupling/Cyclization: A Gateway to 3-Amino Polysubstituted Five-Membered Heterocycles.","The Journal of organic chemistry","2016","81","6","2327","2339","10.1021/acs.joc.5b02838","","x-ray","1.54184","CuKα","","0.0586","0.0562","","","0.1439","0.1471","","","","","","1.048","","","","has coordinates","234905","2020-10-21","18:00:00",""
"4036583","8.2709","0.0003","11.1075","0.0004","18.799","0.0007","90","","94.903","0.003","90","","1720.73","0.11","293.5","0.18","293.5","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O5 -","- C19 H16 N2 O5 -","- C76 H64 N8 O20 -","4","1","","Li, Kaizhi; You, Jingsong","Cascade Oxidative Coupling/Cyclization: A Gateway to 3-Amino Polysubstituted Five-Membered Heterocycles.","The Journal of organic chemistry","2016","81","6","2327","2339","10.1021/acs.joc.5b02838","","x-ray","1.54184","CuKα","","0.0536","0.051","","","0.136","0.1396","","","","","","1.067","","","","has coordinates","234907","2020-10-21","18:00:00",""
"4036584","10.9656","0.0014","17.723","0.003","23.255","0.003","90","","90","","90","","4519.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 O5 S -","- C23 H24 N2 O5 S -","- C184 H192 N16 O40 S8 -","8","1","","Sankar, Ulaganathan; Surya Kumar, Ch Venkata; Subramanian, V.; Balasubramanian, K. K.; Mahalakshimi, S.","Stereo-, Regio-, and Chemoselective [3 + 2]-Cycloaddition of (2E,4E)-Ethyl 5-(Phenylsulfonyl)penta-2,4-dienoate with Various Azomethine Ylides, Nitrones, and Nitrile Oxides: Synthesis of Pyrrolidine, Isoxazolidine, and Isoxazoline Derivatives and a Computational Study.","The Journal of organic chemistry","2016","81","6","2340","2354","10.1021/acs.joc.5b02845","","","0.71073","MoKα","","0.0875","0.0445","","","0.1063","0.1301","","","","","","1.002","","","","has coordinates","234908","2020-10-21","18:00:00",""
"4036585","7.0029","0.0011","17.986","0.003","17.875","0.003","90","","93.089","0.011","90","","2248.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O6 S -","- C24 H23 N O6 S -","- C96 H92 N4 O24 S4 -","4","1","","Sankar, Ulaganathan; Surya Kumar, Ch Venkata; Subramanian, V.; Balasubramanian, K. K.; Mahalakshimi, S.","Stereo-, Regio-, and Chemoselective [3 + 2]-Cycloaddition of (2E,4E)-Ethyl 5-(Phenylsulfonyl)penta-2,4-dienoate with Various Azomethine Ylides, Nitrones, and Nitrile Oxides: Synthesis of Pyrrolidine, Isoxazolidine, and Isoxazoline Derivatives and a Computational Study.","The Journal of organic chemistry","2016","81","6","2340","2354","10.1021/acs.joc.5b02845","","","0.71073","MoKα","","0.1148","0.0531","","","0.1404","0.1701","","","","","","1.007","","","","has coordinates","234911","2020-10-21","18:00:00",""
"4036586","8.6828","0.0005","6.4475","0.0003","11.5604","0.0007","90","","96.958","0.005","90","","642.41","0.06","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F3 N2 O2 -","- C13 H9 F3 N2 O2 -","- C26 H18 F6 N4 O4 -","2","1","","Lou, Hengqiao; Wang, Yongtao; Jin, Enze; Lin, Xufeng","Organocatalytic Asymmetric Synthesis of Dihydrobenzoxazinones Bearing Trifluoromethylated Quaternary Stereocenters.","The Journal of organic chemistry","2016","81","5","2019","2026","10.1021/acs.joc.5b02848","","","1.54184","CuKα","","0.0559","0.049","","","0.1217","0.1336","","","","","","1.092","","","","has coordinates","234912","2020-10-21","18:00:00",""
"4036587","6.4322","0.0004","9.2132","0.0005","11.2253","0.0006","90","","96.4282","0.0018","90","","661.04","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C26 H42 N2 O6 -","2","1","","Chattopadhyay, Amit Kumar; Menz, Helge; Ly, Vu Linh; Dorich, Stéphane; Hanessian, Stephen","Synthesis of a Model Tetracyclic Core Structure of Calyciphylline B-Type Alkaloids.","The Journal of organic chemistry","2016","81","5","2182","2188","10.1021/acs.joc.5b02875","","","1.54178","CuKα","","0.0318","0.0317","","","0.0855","0.0856","","","","","","1.073","","","","has coordinates","234914","2020-10-21","18:00:00",""
"4036588","6.5732","0.0001","10.1967","0.0002","27.5648","0.0005","90","","90","","90","","1847.53","0.06","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C72 H116 N4 O16 -","4","1","","Chattopadhyay, Amit Kumar; Menz, Helge; Ly, Vu Linh; Dorich, Stéphane; Hanessian, Stephen","Synthesis of a Model Tetracyclic Core Structure of Calyciphylline B-Type Alkaloids.","The Journal of organic chemistry","2016","81","5","2182","2188","10.1021/acs.joc.5b02875","","","1.54178","CuKα","","0.0348","0.0324","","","0.0888","0.0905","","","","","","1.067","","","","has coordinates","234915","2020-10-21","18:00:00",""
"4036589","17.318","0.005","17.318","0.005","34.804","0.011","90","","90","","120","","9040","5","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C111 H171 B12 Cl9 N12 -","- C111 H170 B12 Cl9 N12 -","- C333.001 H510 B36 Cl27 N36 -","3","0.166667","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.1443","0.076","","","0.2098","0.2423","","","","","","0.923","","","","has coordinates","234917","2020-10-21","18:00:00",""
"4036590","17.377","0.0006","17.377","0.0006","17.411","0.0006","90","","90","","120","","4553.1","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C174 H252 B18 N18 O3 -","- C174 H252 B18 N18 O3 -","- C174 H252 B18 N18 O3 -","1","0.166667","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.0636","0.0567","","","0.1772","0.1848","","","","","","1.069","","","","has coordinates","234918","2020-10-21","18:00:00",""
"4036591","10.85","0.002","11.342","0.002","24.34","0.004","93.698","0.003","95.893","0.003","111.738","0.004","2750.5","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H82 B5 N5 -","- C57 H82 B5 N5 -","- C114 H164 B10 N10 -","2","1","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.0773","0.0575","","","0.1647","0.1797","","","","","","1.057","","","","has coordinates","234920","2020-10-21","18:00:00",""
"4036592","9.356","0.002","11.498","0.003","14.192","0.003","99.422","0.003","93.603","0.004","108.495","0.005","1417.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 B6 N6 O -","- C58 H84 B6 N6 O -","- C58 H84 B6 N6 O -","1","0.5","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.1106","0.085","","","0.2654","0.2857","","","","","","1.053","","","","has coordinates","234921","2020-10-21","18:00:00",""
"4036593","19.8195","0.0007","22.8286","0.0008","7.8633","0.0003","90","","90","","90","","3557.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C139 H188 N8 O43 -","- C139 H188 N8 O43 -","- C139 H188 N8 O43 -","1","0.25","","Smith, Aaron C.; Cabral, Shawn; Kung, Daniel W.; Rose, Colin R.; Southers, James A.; García-Irizarry, Carmen N; Damon, David B.; Bagley, Scott W.; Griffith, David A.","The Synthesis of Methyl-Substituted Spirocyclic Piperidine-Azetidine (2,7-Diazaspiro[3.5]nonane) and Spirocyclic Piperidine-Pyrrolidine (2,8-Diazaspiro[4.5]decane) Ring Systems.","The Journal of organic chemistry","2016","81","9","3509","3519","10.1021/acs.joc.5b02890","","","1.54178","CuKα","","0.053","0.0475","","","0.1245","0.1292","","","","","","1.04","","","","has coordinates,has disorder","234923","2020-10-21","18:00:00",""
"4036594","11.2708","0.0003","10.4765","0.0003","13.4089","0.0003","90","","99.4274","0.0014","90","","1561.92","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N2 O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0566","","","","0.1917","","","","","","1.895","","","","has coordinates","234925","2020-10-21","18:00:00",""
"4036595","9.43615","0.00017","9.54443","0.00017","17.4522","0.0004","84.4167","0.0008","89.6078","0.0009","78.8942","0.0009","1534.93","0.05","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C72 H72 Cl4 N4 O4 -","4","2","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0518","","","","0.0772","","","","","","1.146","","","","has coordinates","234927","2020-10-21","18:00:00",""
"4036596","9.25139","0.00017","9.3547","0.00017","10.33663","0.00019","78.3301","0.001","82.1889","0.001","75.906","0.001","846.17","0.03","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C40 H48 N4 O2 -","2","1","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0509","","","","0.1657","","","","","","1.683","","","","has coordinates","234929","2020-10-21","18:00:00",""
"4036597","7.7089","0.0003","11.7832","0.0004","17.474","0.0006","90","","100.653","0.0019","90","","1559.9","0.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","2","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0325","","","","0.1006","","","","","","1.049","","","","has coordinates","234931","2020-10-21","18:00:00",""
"4036598","17.706","0.0004","14.323","0.0006","9.7","0.0008","90","","104.923","0.002","90","","2377","0.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl N O5 S -","- C25 H26 Cl N O5 S -","- C100 H104 Cl4 N4 O20 S4 -","4","1","","Kranthikumar, Ramagonolla; Chegondi, Rambabu; Chandrasekhar, Srivari","Insertion of N-Tosylacetimidates/Acetimidamides onto Arynes via [2 + 2] Cycloaddition.","The Journal of organic chemistry","2016","81","6","2451","2459","10.1021/acs.joc.5b02907","","","0.71073","MoKα","","0.07","0.0552","","","0.1368","0.1463","","","","","","1.071","","","","has coordinates","234933","2020-10-21","18:00:00",""
"4036599","10.172","0.0005","10.462","0.0005","12.878","0.0006","68.824","0.001","83.945","0.001","83.791","0.001","1267.17","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O2 S -","- C30 H26 N2 O2 S -","- C60 H52 N4 O4 S2 -","2","1","","Kranthikumar, Ramagonolla; Chegondi, Rambabu; Chandrasekhar, Srivari","Insertion of N-Tosylacetimidates/Acetimidamides onto Arynes via [2 + 2] Cycloaddition.","The Journal of organic chemistry","2016","81","6","2451","2459","10.1021/acs.joc.5b02907","","","0.71073","MoKα","","0.06","0.0506","","","0.1383","0.1461","","","","","","1.025","","","","has coordinates","234934","2020-10-21","18:00:00",""
"4036600","8.6313","0.0017","11.567","0.002","15.818","0.003","76.11","0.03","88.94","0.03","85.25","0.03","1527.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","2","","Jiang, Huanfeng; Yang, Jidan; Tang, Xiaodong; Wu, Wanqing","Divergent Syntheses of Isoquinolines and Indolo[1,2-a]quinazolines by Copper-Catalyzed Cascade Annulation from 2-Haloaryloxime Acetates with Active Methylene Compounds and Indoles.","The Journal of organic chemistry","2016","81","5","2053","2061","10.1021/acs.joc.5b02914","","","0.71073","MoKα","","0.1627","0.0541","","","0.1347","0.2044","","","","","","0.924","","","","has coordinates","234937","2020-10-21","18:00:00",""
"4036601","10.593","0.0003","11.1116","0.0003","17.5737","0.0005","90","","95.862","0.003","90","","2057.7","0.1","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F N O5 -","- C24 H21 F N O5 -","- C96 H84 F4 N4 O20 -","4","1","","Peng, Hui; Li, Jiuyi; Wang, Furong; Liu, Bo; Yin, Biaolin","Synthesis of Spiro-lactams and Polysubstituted Pyrroles via Ceric Ammonium Nitrate-Mediated Oxidative Cyclization of N-Furan-2-ylmethyl-β-Enaminones.","The Journal of organic chemistry","2016","81","12","4939","4946","10.1021/acs.joc.5b02919","","","0.71073","MoKα","","0.0728","0.0693","","","0.1822","0.1849","","","","","","1.085","","","","has coordinates","234939","2020-10-21","18:00:00",""
"4036602","9.4196","0.0002","20.2974","0.0005","10.6385","0.0003","90","","114.597","0.001","90","","1849.44","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","","Bakthadoss, Manickam; Selvakumar, Raman","One-Pot Synthesis of Benzothiazole-Tethered Chromanones/Coumarins via Claisen Rearrangement Using the Solid State Melt Reaction.","The Journal of organic chemistry","2016","81","8","3391","3399","10.1021/acs.joc.5b02920","","","0.71073","MoKα","","0.0509","0.0409","","","0.1131","0.1224","","","","","","0.988","","","","has coordinates","234941","2020-10-21","18:00:00",""
"4036603","9.5557","0.0002","10.296","0.0002","11.4909","0.0002","96.003","0.001","104.156","0.001","91.371","0.001","1088.76","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Cl N O2 S -","- C25 H19 Cl N2 O2 S -","- C50 H38 Cl2 N4 O4 S2 -","2","1","","Bakthadoss, Manickam; Selvakumar, Raman","One-Pot Synthesis of Benzothiazole-Tethered Chromanones/Coumarins via Claisen Rearrangement Using the Solid State Melt Reaction.","The Journal of organic chemistry","2016","81","8","3391","3399","10.1021/acs.joc.5b02920","","","0.71073","MoKα","","0.0455","0.0397","","","0.1147","0.1221","","","","","","1.026","","","","has coordinates","234943","2020-10-21","18:00:00",""
"4036604","8.7107","0.0002","10.3413","0.0003","11.8345","0.0003","95.821","0.002","97.715","0.002","93.79","0.002","1047.51","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C52 H42 N2 O4 S2 -","2","1","","Bakthadoss, Manickam; Selvakumar, Raman","One-Pot Synthesis of Benzothiazole-Tethered Chromanones/Coumarins via Claisen Rearrangement Using the Solid State Melt Reaction.","The Journal of organic chemistry","2016","81","8","3391","3399","10.1021/acs.joc.5b02920","","","0.71073","MoKα","","0.0871","0.072","","","0.1978","0.2141","","","","","","1.037","","","","has coordinates","234944","2020-10-21","18:00:00",""
"4036605","8.1158","0.0003","8.6369","0.0003","9.1898","0.0004","95.53","0.003","104.286","0.003","108.675","0.003","580.48","0.04","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H20 Br2 O3 -","- C27 H20 Br2 O3 -","- C27 H20 Br2 O3 -","1","1","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0435","0.0302","","","0.0561","0.0597","","","","","","0.861","","","","has coordinates","234946","2020-10-21","18:00:00",""
"4036606","8.444","","11.055","","13.733","","98.62","","107.12","","93","","1204.98","","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H25 Br O4 -","- C29 H25 Br O4 -","- C58 H50 Br2 O8 -","2","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0487","0.0392","","","0.0904","0.1143","","","","","","1.076","","","","has coordinates","234947","2020-10-21","18:00:00",""
"4036607","9.121","0.003","10.294","0.003","45.103","0.012","90","","90","","90","","4235","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br O3 -","- C26 H19 Br O3 -","- C208 H152 Br8 O24 -","8","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0999","0.0515","","","0.1018","0.1159","","","","","","1.055","","","","has coordinates,has disorder","234949","2020-10-21","18:00:00",""
"4036608","10.1259","0.0002","21.6147","0.0004","11.8647","0.0003","90","","112.394","0.002","90","","2400.97","0.1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H23 Br O4 -","- C28 H23 Br O4 -","- C112 H92 Br4 O16 -","4","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0832","0.042","","","0.078","0.092","","","","","","0.959","","","","has coordinates","234951","2020-10-21","18:00:00",""
"4036609","16.7257","0.0017","8.6177","0.0009","12.0468","0.0012","90","","104.961","0.001","90","","1677.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br O2 -","- C21 H15 Br O2 -","- C84 H60 Br4 O8 -","4","1","","He, Xinwei; Tao, Jiajia; Hu, Xiaoqian; Wang, Hui; Shang, Yongjia","FeCl3-Mediated One-Pot Domino Reactions for the Synthesis of 9-Aryl/9-Arylethynyl-2,3,4,9-tetrahydro-1H-xanthen-1-ones from Propargylic Amines/Diaryl Amines and 1,3-Cyclohexanediones.","The Journal of organic chemistry","2016","81","5","2062","2069","10.1021/acs.joc.6b00001","","","0.71073","MoKα","","0.0567","0.0363","","","0.0972","0.111","","","","","","0.95","","","","has coordinates,has disorder","234953","2020-10-21","18:00:00",""
"4036610","5.6299","0.0007","18.125","0.002","15.3048","0.0018","90","","94.98","0.001","90","","1555.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","He, Xinwei; Tao, Jiajia; Hu, Xiaoqian; Wang, Hui; Shang, Yongjia","FeCl3-Mediated One-Pot Domino Reactions for the Synthesis of 9-Aryl/9-Arylethynyl-2,3,4,9-tetrahydro-1H-xanthen-1-ones from Propargylic Amines/Diaryl Amines and 1,3-Cyclohexanediones.","The Journal of organic chemistry","2016","81","5","2062","2069","10.1021/acs.joc.6b00001","","","0.71073","MoKα","","0.0455","0.0382","","","0.1064","0.1131","","","","","","1.056","","","","has coordinates","234955","2020-10-21","18:00:00",""
"4036611","6.3333","0.0013","12.763","0.003","19.654","0.003","78.988","0.005","88.769","0.006","89.774","0.006","1559.1","0.5","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 I N O -","- C16 H22 I N O -","- C64 H88 I4 N4 O4 -","4","2","","Song, Liyan; Fang, Xinqiang; Wang, Zijia; Liu, Kun; Li, Chaozhong","Stereoselectivity of 6-Exo Cyclization of α-Carbamoyl Radicals.","The Journal of organic chemistry","2016","81","6","2442","2450","10.1021/acs.joc.6b00008","","","0.71073","MoKα","","0.0938","0.07","","","0.1847","0.2159","","","","","","1.05","","","","has coordinates","234957","2020-10-21","18:00:00",""
"4036612","11.605","0.007","20.355","0.013","12.058","0.008","90","","92.968","0.007","90","","2845","3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H29 N O S -","- C37 H29 N O S -","- C148 H116 N4 O4 S4 -","4","1","","Fukuzumi, Keita; Unoh, Yuto; Nishii, Yuji; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Synthesis of Benzo[c]thiophenes by Rhodium(III)-Catalyzed Dehydrogenative Annulation.","The Journal of organic chemistry","2016","81","6","2474","2481","10.1021/acs.joc.6b00030","","","0.71075","MoKα","","","0.0909","","","","0.1726","","","","","","1.115","","","","has coordinates","234959","2020-10-21","18:00:00",""
"4036613","5.7679","0.0019","9.859","0.003","13.531","0.004","73.54","0.03","85.59","0.03","81.51","0.03","729.3","0.4","295.35","0.1","295.35","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 F2 N O -","- C16 H19 F2 N O -","- C32 H38 F4 N2 O2 -","2","1","","Chen, Qiao; Wang, Chao; Zhou, Jiawei; Wang, Yanan; Xu, Zhaoqing; Wang, Rui","CuSO4-Mediated Decarboxylative Difluoroacetamidation of α,β-Unsaturated Carboxylic Acids.","The Journal of organic chemistry","2016","81","6","2639","2645","10.1021/acs.joc.6b00031","","x-ray","0.71073","MoKα","","0.1435","0.066","","","0.14","0.1998","","","","","","1.056","","","","has coordinates","234961","2020-10-21","18:00:00",""
"4036614","6.5903","0.0001","27.7886","0.0004","13.8017","0.0002","90","","101.747","0.0015","90","","2474.64","0.06","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","2","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0416","0.038","","0.0874","0.0852","0.0874","","","","","","1.0054","","","","has coordinates","234963","2020-10-21","18:00:00",""
"4036615","33.1997","0.0004","9.6115","0.0001","13.8952","0.0002","90","","99.7857","0.0012","90","","4369.43","0.1","150","","150","","","","","","","","local","3","C 1 2 1","C 2y","5","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C180 H312 O24 -","12","3","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0376","0.035","","0.0873","0.0853","0.0873","","","","","","0.9972","","","","has coordinates","234965","2020-10-21","18:00:00",""
"4036616","5.8991","0.0001","12.6249","0.0001","16.8455","0.0002","90","","90","","90","","1254.58","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0296","0.0288","","0.0749","0.0739","0.0749","","","","","","1.0027","","","","has coordinates","234967","2020-10-21","18:00:00",""
"4036617","7.0022","0.0001","12.5744","0.0001","14.0683","0.0002","90","","90","","90","","1238.69","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0257","0.0252","","0.0664","0.066","0.0664","","","","","","1.0003","","","","has coordinates","234968","2020-10-21","18:00:00",""
"4036618","21.353","0.003","21.353","0.003","5.8048","0.001","90","","90","","120","","2292.1","0.6","150","","150","","","","","","","","local","3","P 65","P 65","170","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C90 H156 O12 -","6","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.1028","0.0812","","0.1901","0.1771","0.1901","","","","","","1.0243","","","","has coordinates","234970","2020-10-21","18:00:00",""
"4036619","8.3922","0.0001","8.6217","0.0001","17.1215","0.0001","90","","90","","90","","1238.83","0.02","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0263","0.0261","","0.0683","0.0681","0.0683","","","","","","1.0094","","","","has coordinates","234972","2020-10-21","18:00:00",""
"4036620","6.2794","0.0001","13.2695","0.0001","23.5284","0.0002","90","","90","","90","","1960.49","0.04","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O3 S2 -","- C19 H28 O3 S2 -","- C76 H112 O12 S8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0226","0.022","","0.0582","0.0579","0.0582","","","","","","1.0079","","","","has coordinates","234974","2020-10-21","18:00:00",""
"4036621","8.5891","0.0002","16.7819","0.0002","9.8613","0.0001","90","","95.8337","0.0013","90","","1414.06","0.04","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","2","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0353","0.0325","","0.0769","0.0756","0.0769","","","","","","0.9927","","","","has coordinates","234976","2020-10-21","18:00:00",""
"4036622","12.8626","0.0011","17.9115","0.0016","20.6589","0.0019","90","","90","","90","","4759.6","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 N4 O P -","- C22 H33 N4 O P -","- C176 H264 N32 O8 P8 -","8","2","","Yang, Bing; Shen, Minxing; Ji, Xiaozhou; Xu, Ziyan; Sun, Hao; Jiang, Bo; Li, Guigen","Chiral N-Phosphonyl Imines for an Aza-Morita-Baylis-Hillman Reaction via Group-Assisted Purification (GAP) Chemistry.","The Journal of organic chemistry","2016","81","6","2488","2493","10.1021/acs.joc.6b00049","","","0.71073","MoKα","","0.1377","0.0499","","","0.069","0.0767","","","","","","1.035","","","","has coordinates","234978","2020-10-21","18:00:00",""
"4036623","10.695","0.01","6.585","0.006","14.025","0.014","90","","111.141","0.01","90","","921.3","1.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H24 F N O4 S -","- C19 H24 F N O4 S -","- C38 H48 F2 N2 O8 S2 -","2","1","","Zhang, Lumin; Zhu, Lili; Yang, Jun; Luo, Jisheng; Hong, Ran","Stereoselective α-Hydroxylation of Amides Using Oppolzer's Sultam as Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3890","3900","10.1021/acs.joc.6b00068","","","0.71073","MoKα","","0.0289","0.0278","","","0.0703","0.0715","","","","","","1.068","","","","has coordinates","234979","2020-10-21","18:00:00",""
"4036624","11.5968","0.0012","8.2171","0.0009","21.456","0.002","90","","104.481","0.002","90","","1979.6","0.4","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 S -","- C20 H27 N O5 S -","- C80 H108 N4 O20 S4 -","4","2","","Zhang, Lumin; Zhu, Lili; Yang, Jun; Luo, Jisheng; Hong, Ran","Stereoselective α-Hydroxylation of Amides Using Oppolzer's Sultam as Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3890","3900","10.1021/acs.joc.6b00068","","","0.71073","MoKα","","0.0433","0.0361","","","0.091","0.0961","","","","","","1.006","","","","has coordinates","234981","2020-10-21","18:00:00",""
"4036625","9.0667","0.0019","11.32","0.002","19.536","0.004","90","","100.124","0.003","90","","1973.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F5 N O4 -","- C22 H14 F5 N O4 -","- C88 H56 F20 N4 O16 -","4","1","","Wang, Huai-Wei; Cui, Pei-Pei; Lu, Yi; Sun, Wei-Yin; Yu, Jin-Quan","Ligand-Promoted Rh(III)-Catalyzed Coupling of Aryl C-H Bonds with Arylboron Reagents.","The Journal of organic chemistry","2016","81","8","3416","3422","10.1021/acs.joc.6b00083","","","0.71073","MoKα","","0.0806","0.0448","","","0.1143","0.1352","","","","","","1.03","","","","has coordinates","234982","2020-10-21","18:00:00",""
"4036626","9.87","0.0004","10.0817","0.0003","10.2033","0.0005","90","","111.452","0.005","90","","944.96","0.07","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O3 S -","- C20 H18 F3 N O3 S -","- C40 H36 F6 N2 O6 S2 -","2","1","","Zhang, Sheng; Cha, Lide; Li, Lijun; Hu, Yanbin; Li, Yanan; Zha, Zhenggen; Wang, Zhiyong","Asymmetric Formal Aza-Diels-Alder Reaction of Trifluoromethyl Hemiaminals with Enones Catalyzed by Primary Amines.","The Journal of organic chemistry","2016","81","8","3177","3187","10.1021/acs.joc.6b00087","","","1.54184","CuKα","","0.0351","0.0338","","","0.0904","0.0927","","","","","","1.043","","","","has coordinates","234984","2020-10-21","18:00:00",""
"4036627","37.458","0.002","5.4399","0.0003","17.8501","0.0007","90","","106.94","0.004","90","","3479.5","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 S4 -","- C42 H50 S4 -","- C168 H200 S16 -","4","0.5","","Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju","Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives.","The Journal of organic chemistry","2016","81","6","2534","2542","10.1021/acs.joc.6b00101","","","1.54178","CuKα","","0.1029","0.0814","","","0.2153","0.236","","","","","","1.027","","","","has coordinates","234986","2020-10-21","18:00:00",""
"4036628","12.1896","0.0005","18.8338","0.0007","19.3","0.0007","75.146","0.002","77.385","0.002","80.428","0.002","4150.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C93 H135 S6 -","- C93 H135 S6 -","- C186 H270 S12 -","2","1","","Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju","Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives.","The Journal of organic chemistry","2016","81","6","2534","2542","10.1021/acs.joc.6b00101","","","0.71073","MoKα","","0.0615","0.0387","","","0.1092","0.13","","","","","","1.029","","","","has coordinates","234988","2020-10-21","18:00:00",""
"4036629","5.3269","0.0006","18.171","0.002","21.724","0.002","99.222","0.003","93.005","0.003","95.081","0.003","2062.7","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H50 S4 -","- C42 H50 S4 -","- C84 H100 S8 -","2","1","","Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju","Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives.","The Journal of organic chemistry","2016","81","6","2534","2542","10.1021/acs.joc.6b00101","","","0.71073","MoKα","","0.0717","0.0495","","","0.1288","0.1364","","","","","","1.078","","","","has coordinates","234990","2020-10-21","18:00:00",""
"4036630","8.6924","0.0005","12.8173","0.0008","15.9368","0.0012","105.053","0.006","101.173","0.006","91.003","0.005","1677.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(2E)-2-{2-[3-METHYLBUT-2-EN-1-YL)OXY]BENZYLIDENE}INDAN-1-ONE","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","2","","Parmar, Bhagyashri D.; Sutariya, Tushar R.; Brahmbhatt, Gaurangkumar C.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.","A Base-Catalyzed, Domino Aldol/hetero-Diels-Alder Synthesis of Tricyclic Pyrano[3,4-c]chromenes in Glycerol.","The Journal of organic chemistry","2016","81","12","4955","4964","10.1021/acs.joc.6b00107","","","0.71073","MoKα","","0.1246","0.056","","","0.1169","0.1507","","","","","","0.948","","","","has coordinates","234992","2020-10-21","18:00:00",""
"4036631","11.7252","0.0002","12.2681","0.0002","12.3225","0.0003","90","","97.388","0.002","90","","1757.83","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4aR, 12cS)-4,4-dimethyl-2-phenyl-4,4a,5,12c- tetrahydrobenzo[f]pyrano[3,4-c]chromene","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Parmar, Bhagyashri D.; Sutariya, Tushar R.; Brahmbhatt, Gaurangkumar C.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.","A Base-Catalyzed, Domino Aldol/hetero-Diels-Alder Synthesis of Tricyclic Pyrano[3,4-c]chromenes in Glycerol.","The Journal of organic chemistry","2016","81","12","4955","4964","10.1021/acs.joc.6b00107","","","0.71073","MoKα","","0.0545","0.0406","","","0.0902","0.1021","","","","","","1.044","","","","has coordinates","234994","2020-10-21","18:00:00",""
"4036632","11.5568","0.0002","16.7624","0.0002","12.9551","0.0002","90","","116.227","0.002","90","","2251.29","0.07","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2-Chlorobut-3-enyl)-2,2-diphenyl-3-(methylcarbonyloxyethyl)-6-methyl- 1,3-oxazinen-4-one","","- C25 H26 Cl N O4 -","- C25 H26 Cl N O4 -","- C100 H104 Cl4 N4 O16 -","4","1","","Smith, Robert J.; Mills, Daniel A.; Nhu, Duong; Tan, Eng Wui; Lucas, Nigel T.; Hawkins, Bill C.","The Synthesis of Multifunctionalized 1,3-Oxazin-4-ones from Donor-Acceptor Cyclopropanes.","The Journal of organic chemistry","2016","81","5","2099","2105","10.1021/acs.joc.6b00112","","","1.54184","CuKα","","0.0489","0.0466","","","0.1031","0.1046","","","","","","1.043","","","","has coordinates,has disorder","234996","2020-10-21","18:00:00",""
"4036633","5.6221","0.0011","9.6836","0.0017","12.619","0.002","87.223","0.008","88.919","0.009","85.132","0.009","683.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 N O S2 -","- C15 H11 N O S2 -","- C30 H22 N2 O2 S4 -","2","1","","Dar, Ajaz A.; Shadab, M.; Khan, Suman; Ali, Nahid; Khan, Abu T.","One-Pot Synthesis and Evaluation of Antileishmanial Activities of Functionalized S-Alkyl/Aryl Benzothiazole-2-carbothioate Scaffold.","The Journal of organic chemistry","2016","81","8","3149","3160","10.1021/acs.joc.6b00113","","","0.71073","MoKα","","0.1511","0.0796","","","0.1883","0.2469","","","","","","1.148","","","","has coordinates","234998","2020-10-21","18:00:00",""
"4036634","8.125","0.0007","8.2239","0.0009","10.6956","0.0008","90.93","0.008","96.487","0.007","93.239","0.008","708.78","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Cl N O S2 -","- C15 H10 Cl N O S2 -","- C30 H20 Cl2 N2 O2 S4 -","2","1","","Dar, Ajaz A.; Shadab, M.; Khan, Suman; Ali, Nahid; Khan, Abu T.","One-Pot Synthesis and Evaluation of Antileishmanial Activities of Functionalized S-Alkyl/Aryl Benzothiazole-2-carbothioate Scaffold.","The Journal of organic chemistry","2016","81","8","3149","3160","10.1021/acs.joc.6b00113","","","0.71073","MoKα","","0.0597","0.0407","","","0.0964","0.1152","","","","","","1.077","","","","has coordinates","235000","2020-10-21","18:00:00",""
"4036635","5.24926","0.00013","14.3321","0.0003","18.3411","0.0004","90","","90.107","0.006","90","","1379.85","0.05","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 S4 -","- C18 H8 S4 -","- C72 H32 S16 -","4","1","","Yamamoto, Atsushi; Matsui, Yasunori; Asada, Toshio; Kumeda, Motoki; Takagi, Kenichiro; Suenaga, Yu; Nagae, Kunihiko; Ohta, Eisuke; Sato, Hiroyasu; Koseki, Shiro; Naito, Hiroyoshi; Ikeda, Hiroshi","Amorphous Solid Simulation and Trial Fabrication of the Organic Field-Effect Transistor of Tetrathienonaphthalenes Prepared by Using Microflow Photochemical Reactions: A Theoretical Calculation-Inspired Investigation.","The Journal of organic chemistry","2016","81","8","3168","3176","10.1021/acs.joc.6b00117","","","1.54187","CuKα","","","0.0361","","","","0.114","","","","","","1.156","","","","has coordinates","235002","2020-10-21","18:00:00",""
"4036636","10.4968","0.0003","11.6056","0.0003","12.325","0.0003","76.616","0.001","70.06","0.001","65.542","0.001","1277.61","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N3 O5 S -","- C25 H27 N3 O5 S -","- C50 H54 N6 O10 S2 -","2","1","","Zeng, Xue-Mei; Xie, Jian-Wu","Enantioselective Synthesis of Ring-Fused Spiroannulated 1,2,3-Thiadiazole Derivatives.","The Journal of organic chemistry","2016","81","9","3553","3559","10.1021/acs.joc.6b00127","","","0.71073","MoKα","","0.0721","0.0488","","","0.1595","0.1842","","","","","","1.266","","","","has coordinates","235004","2020-10-21","18:00:00",""
"4036637","8.6809","0.0002","14.1972","0.0003","10.4181","0.0003","90","","100.521","0.001","90","","1262.39","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N3 O5 S -","- C25 H29 N3 O5 S -","- C50 H58 N6 O10 S2 -","2","1","","Zeng, Xue-Mei; Xie, Jian-Wu","Enantioselective Synthesis of Ring-Fused Spiroannulated 1,2,3-Thiadiazole Derivatives.","The Journal of organic chemistry","2016","81","9","3553","3559","10.1021/acs.joc.6b00127","","","0.71073","MoKα","","0.0397","0.0331","","","0.081","0.0861","","","","","","1.043","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036638","10.872","0.004","12.354","0.004","17.965","0.006","90","","90","","90","","2412.9","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O6 S -","- C24 H23 N3 O6 S -","- C96 H92 N12 O24 S4 -","4","1","","Zeng, Xue-Mei; Xie, Jian-Wu","Enantioselective Synthesis of Ring-Fused Spiroannulated 1,2,3-Thiadiazole Derivatives.","The Journal of organic chemistry","2016","81","9","3553","3559","10.1021/acs.joc.6b00127","","","0.71073","MoKα","","0.1172","0.0584","","","0.1347","0.1662","","","","","","1.004","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4036639","5.4955","0.0015","8.697","0.002","24.108","0.007","90","","91.925","0.004","90","","1151.6","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Zhang, Ju; Zhang, Xinying; Fan, Xuesen","Synthesis of Indeno[1',2':4,5]imidazo[1,2-a]pyridin-11-ones and Chromeno[4',3':4,5]imidazo[1,2-a]pyridin-6-ones through Palladium-Catalyzed Cascade Reactions of 2-(2-Bromophenyl)imidazo[1,2-a]pyridines.","The Journal of organic chemistry","2016","81","8","3206","3213","10.1021/acs.joc.6b00166","","","0.71073","MoKα","","0.0776","0.0434","","","0.1197","0.1459","","","","","","1.082","","","","has coordinates","235010","2020-10-21","18:00:00",""
"4036640","11.4121","0.0003","16.6843","0.0005","4.8996","0.0002","90","","90","","90","","932.9","0.05","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H7 O Te2 -","- C8 H7 O Te2 -","- C32 H28 O4 Te8 -","4","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","1.54178","CuKα","","0.1006","0.0917","","","0.2452","0.2531","","","","","","1.141","","","","has coordinates","235012","2020-10-21","18:00:00",""
"4036641","14.8825","0.0013","7.0999","0.0007","8.2818","0.0008","90","","95.735","0.01","90","","870.71","0.14","295","2","295","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H8 O Se2 -","- C8 H8 O Se2 -","- C32 H32 O4 Se8 -","4","0.5","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","0.71073","MoKα","","0.1268","0.0479","","","0.093","0.111","","","","","","0.862","","","","has coordinates","235013","2020-10-21","18:00:00",""
"4036642","9.2886","0.0004","14.636","0.0005","9.5487","0.0004","90","","103.428","0.004","90","","1262.64","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O2 Te -","- C14 H14 O2 Te -","- C56 H56 O8 Te4 -","4","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","1.54178","CuKα","","0.0697","0.0587","","","0.1449","0.1574","","","","","","1.094","","","","has coordinates","235015","2020-10-21","18:00:00",""
"4036643","5.0396","0.0003","6.4746","0.0005","23.7857","0.0014","90","","90","","90","","776.11","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 Te -","- C8 H8 O2 Te -","- C32 H32 O8 Te4 -","4","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","1.54184","CuKα","","0.0708","0.063","","","0.1647","0.175","","","","","","1.081","","","","has coordinates","235016","2020-10-21","18:00:00",""
"4036644","7.8765","0.0004","8.1219","0.0005","13.0249","0.0007","74.478","0.005","76.975","0.004","89.917","0.004","780.65","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 O2 Se -","- C8 H8 O2 Se -","- C32 H32 O8 Se4 -","4","2","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","0.71073","MoKα","","0.1105","0.0552","","","0.0874","0.104","","","","","","1.038","","","","has coordinates","235017","2020-10-21","18:00:00",""
"4036645","6.8851","0.0009","7.9251","0.0012","8.1801","0.0007","85.683","0.009","89.92","0.009","64.419","0.014","401.21","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 O S2 -","- C8 H8 O S2 -","- C16 H16 O2 S4 -","2","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","0.71073","MoKα","","0.0547","0.0483","","","0.1311","0.1405","","","","","","1.05","","","","has coordinates","235019","2020-10-21","18:00:00",""
"4036646","12.593","0.011","12.991","0.007","10.908","0.008","90","","98.5","0.03","90","","1765","2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O3 S -","- C18 H28 O3 S -","- C72 H112 O12 S4 -","4","1","","Wang, Yinli; Oriez, Raphaël; Kuwano, Satoru; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-ichi","Oxa- and Azacycle Formation via Migrative Cyclization of Sulfonylalkynol and Sulfonylalkynamide with N-Heterocyclic Carbene.","The Journal of organic chemistry","2016","81","6","2652","2664","10.1021/acs.joc.6b00182","","","1.54187","CuKα","","0.1282","0.0817","","","0.1971","0.3104","","","","","","0.968","","","","has coordinates","235021","2020-10-21","18:00:00",""
"4036647","23.169","0.004","7.2093","0.0016","21.235","0.004","90","","92.196","0.004","90","","3544.3","1.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H27 N O4 S -","- C18 H27 N O4 S -","- C144 H216 N8 O32 S8 -","8","1","","Wang, Yinli; Oriez, Raphaël; Kuwano, Satoru; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-ichi","Oxa- and Azacycle Formation via Migrative Cyclization of Sulfonylalkynol and Sulfonylalkynamide with N-Heterocyclic Carbene.","The Journal of organic chemistry","2016","81","6","2652","2664","10.1021/acs.joc.6b00182","","","1.54187","CuKα","","0.0417","0.0369","","","0.101","0.1122","","","","","","1.116","","","","has coordinates","235023","2020-10-21","18:00:00",""
"4036648","16.715","0.004","5.5827","0.0012","17.44","0.004","90","","97.706","0.003","90","","1612.7","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 I N3 -","- C17 H16 I N3 -","- C68 H64 I4 N12 -","4","1","","Zhu, Li-Li; Xu, Xiao-Qi; Shi, Jin-Wei; Chen, Bai-Ling; Chen, Zili","N(2)-Selective Iodofunctionalization of Olefins with NH-1,2,3-Triazoles to provide N(2)-Alkyl-Substituted 1,2,3-Triazoles.","The Journal of organic chemistry","2016","81","9","3568","3575","10.1021/acs.joc.6b00185","","","0.71073","MoKα","","0.0578","0.0495","","","0.1266","0.1341","","","","","","1.003","","","","has coordinates","235025","2020-10-21","18:00:00",""
"4036649","4.1693","0.0005","8.687","0.001","10.729","0.002","95.442","0.001","90.247","0.001","95.864","0.001","384.78","0.1","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H10 N2 -","- C8 H10 N2 -","- C16 H20 N4 -","2","1","","Kerisit, Nicolas; Rouxel, Cédric; Colombel-Rouen, Sophie; Toupet, Loïc; Guillemin, Jean-Claude; Trolez, Yann","Synthesis, Chemistry, and Photochemistry of Methylcyanobutadiyne in the Context of Space Science.","The Journal of organic chemistry","2016","81","9","3560","3567","10.1021/acs.joc.6b00205","","","0.71073","MoKα","","0.0787","0.0529","","","0.135","0.1622","","","","","","1.065","","","","has coordinates","235027","2020-10-21","18:00:00",""
"4036650","4.3708","0.0002","13.7544","0.0005","15.5815","0.0005","90","","90","","90","","936.72","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","Kerisit, Nicolas; Rouxel, Cédric; Colombel-Rouen, Sophie; Toupet, Loïc; Guillemin, Jean-Claude; Trolez, Yann","Synthesis, Chemistry, and Photochemistry of Methylcyanobutadiyne in the Context of Space Science.","The Journal of organic chemistry","2016","81","9","3560","3567","10.1021/acs.joc.6b00205","","","0.71073","MoKα","","0.0455","0.0396","","","0.0886","0.092","","","","","","1.047","","","","has coordinates","235029","2020-10-21","18:00:00",""
"4036651","15.7178","0.0002","24.0271","0.0004","24.33","0.0004","69.559","0.001","77.422","0.001","75.919","0.001","8261.4","0.2","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C198 H192 N22 O11 -","- C198 H192 N22 O11 -","- C396 H384 N44 O22 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.1206","0.1034","","","0.342","0.3662","","","","","","1.6","","","","has coordinates,has disorder","235031","2020-10-21","18:00:00",""
"4036652","15.231","0.004","15.402","0.004","18.805","0.006","92.352","0.011","110.492","0.011","118.971","0.009","3493.8","1.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H42 Cl6 -","- C84 H42 Cl6 -","- C168 H84 Cl12 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","K-L~3~","0.1039","0.0802","","","0.2218","0.2402","","","","","","1.026","","","","has coordinates","235033","2020-10-21","18:00:00",""
"4036653","13.25","0.005","14.375","0.005","14.817","0.005","91.436","0.007","101.907","0.007","115.796","0.006","2465.1","1.5","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H35 N O2 -","- C72 H35 N O2 -","- C144 H70 N2 O4 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.1319","0.0653","","","0.163","0.1984","","","","","","1.018","","","","has coordinates,has disorder","235035","2020-10-21","18:00:00",""
"4036654","13.2486","0.0011","14.4507","0.0012","14.8798","0.0012","91.989","0.002","102.018","0.002","115.489","0.002","2490.1","0.4","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H37 N -","- C75 H37 N -","- C150 H74 N2 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.1239","0.0876","","","0.262","0.2979","","","","","","1.041","","","","has coordinates,has disorder","235037","2020-10-21","18:00:00",""
"4036655","16.4148","0.0008","16.4148","0.0008","50.878","0.003","90","","90","","120","","11872.2","1.1","100","0.2","100","0.2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C96 H84 N6 O6 -","- C96 H84 N6 O6 -","- C576 H504 N36 O36 -","6","0.166667","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.1076","0.0981","","","0.3669","0.3849","","","","","","2.165","","","","has coordinates","235039","2020-10-21","18:00:00",""
"4036656","13.25","0.006","14.51","0.006","14.908","0.006","91.851","0.017","101.701","0.017","115.336","0.016","2513.6","1.9","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C73 H38 O -","- C73 H38 O -","- C146 H76 O2 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.2222","0.1093","","","0.2911","0.3655","","","","","","1.041","","","","has coordinates,has disorder","235041","2020-10-21","18:00:00",""
"4036657","15.1984","0.0006","15.6148","0.0006","17.8003","0.0007","75.887","0.003","67.008","0.003","61.703","0.002","3415.1","0.2","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C96 H58 O2 -","- C96 H58 O2 -","- C192 H116 O4 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.0871","0.0619","","","0.1678","0.188","","","","","","1.023","","","","has coordinates","235043","2020-10-21","18:00:00",""
"4036658","13.642","0.002","14.778","0.003","15.643","0.003","108.404","0.004","110.867","0.003","98.818","0.004","2667.5","0.9","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H29 Cl4 F9 O9 S3 -","- C59 H29 Cl4 F9 O9 S3 -","- C118 H58 Cl8 F18 O18 S6 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.0864","0.0568","","","0.139","0.1589","","","","","","1.019","","","","has coordinates,has disorder","235045","2020-10-21","18:00:00",""
"4036659","16.5811","0.0003","15.2702","0.0003","24.5373","0.0005","90","","100.308","0.001","90","","6112.5","0.2","100","0.2","100","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C90 H50 O2 -","- C90 H50 O2 -","- C360 H200 O8 -","4","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.0539","0.0381","","","0.0916","0.1016","","","","","","1.03","","","","has coordinates,has disorder","235047","2020-10-21","18:00:00",""
"4036660","7.462","0.002","7.805","0.002","8.031","0.002","68.53","0.03","63.42","0.03","88.31","0.03","384.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C12 H12 N2 O10 P2 -","2","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0274","0.0264","","","0.0718","0.0727","","","","","","1.087","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036661","5.565","0.002","12.901","0.004","10.161","0.003","90","","98.32","0.03","90","","721.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C24 H24 N4 O20 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0425","0.032","","","0.0915","0.0964","","","","","","1.072","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036662","8.864","0.003","9.92","0.003","9.5","0.003","90","","115.8","0.03","90","","752.1","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C24 H24 N4 O20 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0502","0.0411","","","0.112","0.1157","","","","","","1.112","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036663","9.349","0.003","9.59","0.003","10.611","0.004","69.88","0.04","72","0.04","74.94","0.04","836.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 N O6 P -","- C6 H8 N O6 P -","- C24 H32 N4 O24 P4 -","4","2","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0338","0.0291","","","0.0834","0.0858","","","","","","1.05","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036664","7.497","0.002","9.928","0.003","23.123","0.006","90","","90","","90","","1721","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N O6 P -","- C6 H8 N O6 P -","- C48 H64 N8 O48 P8 -","8","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0364","0.0286","","","0.079","0.0829","","","","","","1.072","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036665","4.948","0.002","12.937","0.003","13.024","0.003","90","","90","","90","","833.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N O6 P2 -","- C5 H7 N O6 P2 -","- C20 H28 N4 O24 P8 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.045","0.04","","","0.1028","0.1052","","","","","","1.085","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036666","13.41","0.004","8.969","0.003","17.268","0.005","90","","110.48","0.03","90","","1945.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N O6 P2 -","- C6 H9 N O6 P2 -","- C48 H72 N8 O48 P16 -","8","2","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0335","0.0287","","","0.0727","0.0751","","","","","","1.035","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036667","5.93","0.002","13.177","0.003","11.05","0.003","90","","95.51","0.03","90","","859.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N O5 P -","- C6 H12 N O5 P -","- C24 H48 N4 O20 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0468","0.0328","","","0.0927","0.0978","","","","","","1.084","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036668","7.586","0.002","6.943","0.002","18.472","0.004","90","","99.37","0.03","90","","959.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 N O6 P -","- C6 H14 N O6 P -","- C24 H56 N4 O24 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","1.5418","CuKα","","0.0781","0.0635","","","0.1579","0.1637","","","","","","1.027","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036669","18.0157","0.0006","24.8696","0.0008","7.5007","0.0003","90","","90","","90","","3360.6","0.2","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H12 Cl N O3 S -","- C18 H12 Cl N O3 S -","- C144 H96 Cl8 N8 O24 S8 -","8","1","","Bharathiraja, Ganesan; Sathishkannan, Gopal; Punniyamurthy, Tharmalingam","Domino Synthesis of Tetrasubstituted Thiophenes from 1,3-Enynes with Mercaptoacetaldehyde.","The Journal of organic chemistry","2016","81","6","2670","2674","10.1021/acs.joc.6b00231","","","0.71073","MoKα","","0.0852","0.0441","","","0.1093","0.1237","","","","","","1.058","","","","has coordinates","235054","2020-10-21","18:00:00",""
"4036670","17.7379","0.0005","9.4418","0.0003","18.8452","0.0006","90","","106.138","0.0015","90","","3031.78","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 Au N4 O4 -","- C31 H37 Au N4 O4 -","- C124 H148 Au4 N16 O16 -","4","0.5","","Mir, Roya; Dudding, Travis","A Au(I)-Precatalyst with a Cyclopropenium Counterion: An Unusual Ion Pair.","The Journal of organic chemistry","2016","81","6","2675","2679","10.1021/acs.joc.6b00241","","","0.71073","MoKα","","0.0429","0.0303","","","0.0758","0.0827","","","","","","1.046","","","","has coordinates,has disorder","235055","2020-10-21","18:00:00",""
"4036671","4.7994","0.0004","13.7192","0.0012","13.8234","0.0013","90","","95.721","0.002","90","","905.65","0.14","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Li, Xing Guang; Sun, Min; Jin, Qiao; Liu, Kai; Liu, Pei Nian","Access to Isoquinolines and Isoquinolin-3-ols via Rh(III)-Catalyzed Coupling/Cyclization Cascade Reaction of Arylimidates and Diazo Compounds.","The Journal of organic chemistry","2016","81","9","3901","3910","10.1021/acs.joc.6b00264","","","0.71073","MoKα","","0.0525","0.042","","","0.1138","0.1228","","","","","","1.057","","","","has coordinates","235057","2020-10-21","18:00:00",""
"4036672","11.414","0.0019","22.478","0.004","7.5849","0.0012","90","","105.181","0.003","90","","1878.1","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Li, Xing Guang; Sun, Min; Jin, Qiao; Liu, Kai; Liu, Pei Nian","Access to Isoquinolines and Isoquinolin-3-ols via Rh(III)-Catalyzed Coupling/Cyclization Cascade Reaction of Arylimidates and Diazo Compounds.","The Journal of organic chemistry","2016","81","9","3901","3910","10.1021/acs.joc.6b00264","","","0.71073","MoKα","","0.0684","0.051","","","0.1069","0.1149","","","","","","1.059","","","","has coordinates","235059","2020-10-21","18:00:00",""
"4036673","12.742","0.003","14.71","0.003","29.88","0.006","90","","90","","90","","5601","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H36 B N3 -","- C35 H36 B N3 -","- C280 H288 B8 N24 -","8","1","","Más-Montoya, Miriam; Usea, Laura; Espinosa Ferao, Arturo; Montenegro, María F; Ramírez de Arellano, Carmen; Tárraga, Alberto; Rodríguez-López, José N; Curiel, David","Single Heteroatom Fine-Tuning of the Emissive Properties in Organoboron Complexes with 7-(Azaheteroaryl)indole Systems.","The Journal of organic chemistry","2016","81","8","3296","3302","10.1021/acs.joc.6b00265","","","0.71073","MoKα","","0.2488","0.1087","","","0.2289","0.315","","","","","","0.986","","","","has coordinates","235061","2020-10-21","18:00:00",""
"4036674","10.4924","0.0004","10.6628","0.0004","18.416","0.0004","74.5955","0.0019","84.469","0.002","89.0236","0.0013","1977.01","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","DCC_LU40","","","- C27 H19 B N2 O -","- C27 H19 B N2 O -","- C108 H76 B4 N8 O4 -","4","2","","Más-Montoya, Miriam; Usea, Laura; Espinosa Ferao, Arturo; Montenegro, María F; Ramírez de Arellano, Carmen; Tárraga, Alberto; Rodríguez-López, José N; Curiel, David","Single Heteroatom Fine-Tuning of the Emissive Properties in Organoboron Complexes with 7-(Azaheteroaryl)indole Systems.","The Journal of organic chemistry","2016","81","8","3296","3302","10.1021/acs.joc.6b00265","","","0.71073","MoKα","","0.102","0.0547","","","0.1209","0.1396","","","","","","0.973","","","","has coordinates","235063","2020-10-21","18:00:00",""
"4036675","9.225","0.002","11.4","0.003","27.925","0.006","83.904","0.012","80.98","0.012","88.585","0.014","2883.9","1.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 N O2 S -","- C33 H23 N O2 S -","- C132 H92 N4 O8 S4 -","4","2","","Mahendran, Vaithiyanathan; Pasumpon, Kamaraj; Thimmarayaperumal, Solaimalai; Thilagar, Pakkirisamy; Shanmugam, Sivakumar","Tetraphenylethene-2-Pyrone Conjugate: Aggregation-Induced Emission Study and Explosives Sensor.","The Journal of organic chemistry","2016","81","9","3597","3602","10.1021/acs.joc.6b00267","","","0.71073","MoKα","","0.1661","0.1026","","","0.2656","0.3067","","","","","","1.007","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4036676","10.372","0.003","13.12","0.003","15.398","0.004","85.798","0.006","72.706","0.007","78.441","0.006","1959.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.26 H14.26 F18 N4.45 O3 -","- C47.2535 H14.2535 F18 N4.4507 O3 -","- C94.507 H28.507 F36 N8.9014 O6 -","2","1","","Hyland, Michael A.; Hewage, Nisansala; Panther, Kimberly; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Samaraweera, Milinda; Gascon, José A; Brückner, Christian","Chromene-Annulated Bacteriochlorins.","The Journal of organic chemistry","2016","81","9","3603","3618","10.1021/acs.joc.6b00273","","","0.71073","MoKα","","0.1767","0.0721","","","0.1584","0.1992","","","","","","0.975","","","","has coordinates,has disorder","235067","2020-10-21","18:00:00",""
"4036677","11.9327","0.0006","12.6785","0.0007","17.6556","0.0009","90","","109.402","0.002","90","","2519.4","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N3 O5 S -","- C22 H27 N3 O5 S -","- C88 H108 N12 O20 S4 -","4","2","","Shan, Jing; Cui, Baodong; Wang, Yu; Yang, Chengli; Zhou, Xiaojian; Han, Wenyong; Chen, Yongzheng","Organocatalytic Asymmetric Mannich Reaction of 3-Hydroxyoxindoles/3-Aminooxindoles with in Situ Generated N-Boc-Protected Aldimines for the Synthesis of Vicinal Oxindole-Diamines/Amino Alcohols.","The Journal of organic chemistry","2016","81","13","5270","5277","10.1021/acs.joc.6b00278","","","0.71073","MoKα","","0.0823","0.0522","","","0.1317","0.1481","","","","","","0.955","","","","has coordinates,has disorder","235069","2020-10-21","18:00:00",""
"4036678","11.9507","0.001","8.452","0.0005","17.0816","0.0014","90","","107.7","0.01","90","","1643.7","0.2","97.6","","97.6","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrimido[2,1-a:4,3-a']diisoquinoline","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Yang, Zhanhui; He, Wei; Cheng, Baoxiang; Xu, Jiaxi","Stereochemistry and Mechanistic Insight in the [2(k)+2(i)+2(i)] Annulations of Ketenes and Imines.","The Journal of organic chemistry","2016","81","11","4506","4515","10.1021/acs.joc.6b00279","","","0.7107","MoKα","","0.0651","0.0463","","","0.098","0.1084","","","","","","1.036","","","","has coordinates","235072","2020-10-21","18:00:00",""
"4036679","10.807","0.002","11.284","0.002","15.094","0.003","90","","90","","90","","1840.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","8","","","- C20 H26 Cl N3 O -","- C20 H26 Cl N3 O -","- C80 H104 Cl4 N12 O4 -","4","1","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0403","0.0365","","","0.0882","0.0915","","","","","","1.033","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4036680","7.1107","0.0011","16.739","0.003","23.312","0.004","90","","90","","90","","2774.7","0.8","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","10","","","- C33 H38 Cl N3 O2 -","- C33 H38 Cl N3 O2 -","- C132 H152 Cl4 N12 O8 -","4","0.5","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0674","0.0492","","","0.0969","0.1062","","","","","","1.049","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4036681","15.5961","0.0009","15.5961","0.0009","14.7319","0.0009","90","","90","","90","","3583.4","0.4","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","38","","","- C13 H27 Cl3 N3 -","- C13 H27 Cl3 N3 -","- C104 H216 Cl24 N24 -","8","1","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0328","0.0296","","","0.0751","0.0776","","","","","","1.039","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4036682","8.4477","0.0002","6.0345","0.0002","13.8768","0.0004","90","","104.753","0.002","90","","684.09","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 F4 O4 -","- C13 H14 F4 O4 -","- C26 H28 F8 O8 -","2","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","","0.0505","0.0416","","","0.0926","0.0991","","","","","","1.073","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036683","8.8199","0.0003","5.5422","0.0002","28.043","0.0007","90","","91.413","0.002","90","","1370.37","0.08","120","2","120","2","","","","","","","Clement Fontenelle","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F4 O4 -","- C13 H14 F4 O4 -","- C52 H56 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","K-L~2,3~","0.0506","0.0471","","","0.1156","0.118","","","","","","1.13","","","","has coordinates,has disorder","235077","2020-10-21","18:00:00",""
"4036684","11.179","0.005","9.212","0.004","7.815","0.004","90","","95.815","0.009","90","","800.7","0.6","100","2","100","2","","","","","","","Clement Fontenelle","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 F4 O4 -","- C6 H8 F4 O4 -","- C24 H32 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0348","0.0298","","","0.0734","0.0761","","","","","","1.061","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036685","8.352","0.003","9.152","0.004","9.948","0.003","90","","90","","90","","760.4","0.5","100","2","100","2","","","","","","","Clement Fontenelle","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F4 O4 -","- C6 H8 F4 O4 -","- C24 H32 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0541","0.0463","","","0.1118","0.1142","","","","","","0.994","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036686","6.409","0.003","13.252","0.006","15.665","0.007","90","","90","","90","","1330.5","1.1","100","2","100","2","","","","","","","Samuel Golten","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F4 O4 -","- C13 H14 F4 O4 -","- C52 H56 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0482","0.0439","","","0.0708","0.0724","","","","","","1.164","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036687","6.818","0.002","8.012","0.002","16.976","0.006","90","","90.728","0.005","90","","927.3","0.5","100","2","100","2","","","","","","","Clement Fontenelle","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 F4 O4 -","- C7 H10 F4 O4 -","- C28 H40 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0359","0.0315","","","0.0743","0.0773","","","","","","1.071","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036688","8.376","0.004","15.294","0.007","15.064","0.007","90","","90","","90","","1929.7","1.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7 H10 F4 O4 -","- C7 H10 F4 O4 -","- C56 H80 F32 O32 -","8","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","x-ray","0.71073","MoKα","","0.1272","0.0857","","","0.1622","0.1852","","","","","","1.15","","","","has coordinates,has disorder","235077","2020-10-21","18:00:00",""
"4036689","6.0449","0.0002","9.1342","0.0003","25.1182","0.0017","90","","94.374","0.007","90","","1382.87","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br F4 O2 -","- C15 H11 Br F4 O2 -","- C60 H44 Br4 F16 O8 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","x-ray","0.71075","MoKα","K-L~3~","0.0302","0.0255","","","0.0739","0.0759","","","","","","1.126","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036690","9.2027","0.0012","5.966","0.0006","25.78","0.003","90","","99.679","0.002","90","","1395.3","0.3","100","2","100","2","","","","","","","Clement Fontenelle","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br F4 O2 -","- C15 H11 Br F4 O2 -","- C60 H44 Br4 F16 O8 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","","0.0318","0.0295","","","0.0767","0.0782","","","","","","1.035","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036691","19.9933","0.0011","10.6809","0.0008","15.059","0.0014","90","","110.869","0.002","90","","3004.8","0.4","298","2","298","2","","","","","","","Clement Fontenelle","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F4 O7 -","- C12 H14 F4 O7 -","- C96 H112 F32 O56 -","8","2","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","","0.0597","0.0373","","","0.094","0.1028","","","","","","0.961","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036692","8.03533","0.00015","9.59356","0.00019","41.5946","0.0009","90","","90","","90","","3206.42","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F4 O4 -","- C17 H16 F4 O4 -","- C136 H128 F32 O32 -","8","2","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","x-ray","0.71073","MoKα","","0.048","0.0453","","","0.1188","0.1212","","","","","","1.034","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036693","34.459","0.003","6.7887","0.0007","18.2939","0.0018","90","","93.152","0.002","90","","4273.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 O2 S -","- C26 H22 O2 S -","- C208 H176 O16 S8 -","8","1","","Xie, Meihua; Wang, Shengke; Wang, Jun; Fang, Kuang; Liu, Changqing; Zha, Chao; Jia, Jing","Construction of Substituted Benzenes via Pd-Catalyzed Cross-Coupling/Cyclization Reaction of Vinyl Halides and Terminal Alkynes.","The Journal of organic chemistry","2016","81","8","3329","3334","10.1021/acs.joc.6b00308","","","0.71073","MoKα","","0.063","0.0464","","","0.1356","0.151","","","","","","1.023","","","","has coordinates","235080","2020-10-21","18:00:00",""
"4036694","9.769","0.002","10.877","0.003","18.235","0.004","90","","90","","90","","1937.6","0.8","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C88 H84 N4 O8 S4 -","4","1","","Liang, Zhi-Qin; Yi, Liang; Chen, Kun-Quan; Ye, Song","N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation of Enals and Alkenyl Thiazolones: Enantioselective Synthesis of Thiazole-Fused ε-Lactones.","The Journal of organic chemistry","2016","81","11","4841","4846","10.1021/acs.joc.6b00313","","","0.71073","MoKα","","0.0325","0.0322","","","0.1125","0.113","","","","","","0.972","","","","has coordinates","235082","2020-10-21","18:00:00",""
"4036695","18.199","0.005","7.93","0.002","13.983","0.004","90","","102.149","0.003","90","","1972.8","0.9","173.15","","173.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","","Liang, Zhi-Qin; Yi, Liang; Chen, Kun-Quan; Ye, Song","N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation of Enals and Alkenyl Thiazolones: Enantioselective Synthesis of Thiazole-Fused ε-Lactones.","The Journal of organic chemistry","2016","81","11","4841","4846","10.1021/acs.joc.6b00313","","","0.71073","MoKα","","0.0293","0.0284","","","0.0686","0.0692","","","","","","1.072","","","","has coordinates","235084","2020-10-21","18:00:00",""
"4036696","20.7493","0.0011","15.5182","0.0008","25.9268","0.0014","90","","95.456","0.003","90","","8310.4","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TEMPO","","- C25 H28 N O3 -","- C25 H28 N O3 -","- C400 H448 N16 O48 -","16","2","","Aparici-Espert, Isabel; Francés-Monerris, Antonio; Rodríguez-Muñiz, Gemma M; Roca-Sanjuán, Daniel; Lhiaubet-Vallet, Virginie; Miranda, Miguel A.","A Combined Experimental and Theoretical Approach to the Photogeneration of 5,6-Dihydropyrimidin-5-yl Radicals in Nonaqueous Media.","The Journal of organic chemistry","2016","81","10","4031","4038","10.1021/acs.joc.6b00314","","x-ray","0.71073","MoKα","","0.157","0.0851","","","0.2133","0.2598","","","","","","1.034","","","","has coordinates,has disorder","235086","2020-10-21","18:00:00",""
"4036697","7.5084","0.0007","13.275","0.0011","11.7594","0.0011","90","","97.617","0.003","90","","1161.76","0.18","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N3 O8 -","- C26 H19 N3 O8 -","- C52 H38 N6 O16 -","2","1","","Ramig, Keith; Subramaniam, Gopal; Karimi, Sasan; Szalda, David J.; Ko, Allen; Lam, Aaron; Li, Jeffrey; Coaderaj, Ani; Cavdar, Leyla; Bogdan, Lukasz; Kwon, Kitae; Greer, Edyta M.","Interplay of Nitrogen-Atom Inversion and Conformational Inversion in Enantiomerization of 1H-1-Benzazepines.","The Journal of organic chemistry","2016","81","8","3313","3320","10.1021/acs.joc.6b00319","","","0.71073","MoKα","","0.1543","0.058","","","0.0817","0.1019","","","","","","0.953","","","","has coordinates,has disorder","235088","2020-10-21","18:00:00",""
"4036698","8.477","0.0003","10.9753","0.0004","25.6472","0.0009","90","","90","","90","","2386.15","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","ethyl (6aS,7R,7aS)-3-bromo-6-chloro-6a,7a-dihydro-7H -cyclopropa[d]imidazo[1,2-b]pyridazine-7-carboxylate","","- C10 H9 Br Cl N3 O2 -","- C10 H9 Br Cl N3 O2 -","- C80 H72 Br8 Cl8 N24 O16 -","8","2","","Joshi-Pangu, Amruta; Cohen, Ryan D.; Tudge, Matthew T.; Chen, Yonggang","Dearomatization of Electron-Deficient Nitrogen Heterocycles via Cobalt-Catalyzed Asymmetric Cyclopropanation.","The Journal of organic chemistry","2016","81","8","3070","3075","10.1021/acs.joc.6b00322","","","1.54178","CuKα","","0.0149","0.0147","","","0.0374","0.0375","","","","","","1.042","","","","has coordinates","235090","2020-10-21","18:00:00",""
"4036699","7.452","0.0007","12.696","0.0011","17.794","0.0015","88.96","0.002","85.354","0.001","83.372","0.001","1666.7","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H26 Br2 F2 N4 O2 S2 -","- C34 H26 Br2 F2 N4 O2 S2 -","- C68 H52 Br4 F4 N8 O4 S4 -","2","1","","Sun, Jun; Qiu, Jiang-Kai; Jiang, Bo; Hao, Wen-Juan; Guo, Cheng; Tu, Shu-Jiang","I2-Catalyzed Multicomponent Reactions for Accessing Densely Functionalized Pyrazolo[1,5-a]pyrimidines and Their Disulphenylated Derivatives.","The Journal of organic chemistry","2016","81","8","3321","3328","10.1021/acs.joc.6b00332","","","0.71073","MoKα","","0.218","0.1249","","","0.356","0.3891","","","","","","1.096","","","","has coordinates","235092","2020-10-21","18:00:00",""
"4036700","10.6993","0.0009","18.1201","0.0016","11.5317","0.0011","90","","116.43","0.002","90","","2002","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O5 S -","- C21 H18 N4 O5 S -","- C84 H72 N16 O20 S4 -","4","1","","Sun, Jun; Qiu, Jiang-Kai; Jiang, Bo; Hao, Wen-Juan; Guo, Cheng; Tu, Shu-Jiang","I2-Catalyzed Multicomponent Reactions for Accessing Densely Functionalized Pyrazolo[1,5-a]pyrimidines and Their Disulphenylated Derivatives.","The Journal of organic chemistry","2016","81","8","3321","3328","10.1021/acs.joc.6b00332","","","0.71073","MoKα","","0.1092","0.051","","","0.0941","0.1057","","","","","","1.072","","","","has coordinates,has disorder","235095","2020-10-21","18:00:00",""
"4036701","6.3341","0.0005","12.6687","0.0011","14.0857","0.0012","90","","90","","90","","1130.3","0.16","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Bagdasarian, Alex L.; Nguyen, Huy H.; Palazzo, Teresa A.; Fettinger, James C.; Haddadin, Makhluf J.; Kurth, Mark J.","One-Pot Synthesis of Benzo[4,5]imidazo[2,1-a]isoquinolines and Isoquinolino[3,4-b]quinoxalines via Tandem Cyclization Strategies.","The Journal of organic chemistry","2016","81","9","3924","3928","10.1021/acs.joc.6b00338","","","1.54178","CuKα","","0.0272","0.0272","","","0.0729","0.0729","","","","","","1.053","","","","has coordinates","235097","2020-10-21","18:00:00",""
"4036702","11.2549","0.0009","21.3447","0.0017","7.1406","0.0006","90","","102.257","0.0012","90","","1676.3","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Bagdasarian, Alex L.; Nguyen, Huy H.; Palazzo, Teresa A.; Fettinger, James C.; Haddadin, Makhluf J.; Kurth, Mark J.","One-Pot Synthesis of Benzo[4,5]imidazo[2,1-a]isoquinolines and Isoquinolino[3,4-b]quinoxalines via Tandem Cyclization Strategies.","The Journal of organic chemistry","2016","81","9","3924","3928","10.1021/acs.joc.6b00338","","","0.71073","MoKα","","0.0502","0.0459","","","0.1117","0.1147","","","","","","1.084","","","","has coordinates,has disorder","235098","2020-10-21","18:00:00",""
"4036703","10.6449","0.0009","3.7919","0.0003","15.6497","0.0014","90","","101.161","0.006","90","","619.74","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 O2 S -","- C18 H8 O2 S -","- C36 H16 O4 S2 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0633","0.0504","","","0.1175","0.1242","","","","","","1.037","","","","has coordinates,has disorder","235101","2020-10-21","18:00:00",""
"4036704","14.4257","0.0004","7.1547","0.0002","13.5478","0.0005","90","","108.148","0.002","90","","1328.73","0.07","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 S -","- C36 H30 S -","- C72 H60 S2 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0507","0.0427","","","0.1132","0.1202","","","","","","1.033","","","","has coordinates","235103","2020-10-21","18:00:00",""
"4036705","12.4687","0.0011","8.077","0.0008","30.511","0.003","90","","98.391","0.007","90","","3039.9","0.5","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 S2 -","- C72 H58 S2 -","- C144 H116 S4 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0796","0.0586","","","0.1677","0.1791","","","","","","1.035","","","","has coordinates","235105","2020-10-21","18:00:00",""
"4036706","7.902","0.0008","26.05","0.002","36.307","0.003","90","","92.155","0.007","90","","7468.4","1.1","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N S -","- C47 H40 N S -","- C376 H320 N8 S8 -","8","2","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.1436","0.0909","","","0.2383","0.2823","","","","","","1.03","","","","has coordinates","235106","2020-10-21","18:00:00",""
"4036707","14.422","0.003","7.1233","0.0015","13.738","0.003","90","","109.229","0.004","90","","1332.6","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 S -","- C36 H30 S -","- C72 H60 S2 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","0.71073","MoKα","","0.0842","0.0496","","","0.1058","0.1202","","","","","","1.024","","","","has coordinates,has disorder","235108","2020-10-21","18:00:00",""
"4036708","17.8322","0.0005","8.1594","0.0002","21.3798","0.0006","90","","98.114","0.002","90","","3079.62","0.14","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 S -","- C40 H38 S -","- C160 H152 S4 -","4","1","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0626","0.0484","","","0.1303","0.1404","","","","","","1.035","","","","has coordinates","235109","2020-10-21","18:00:00",""
"4036709","10.082","0.013","10.799","0.015","13.267","0.017","105.568","0.016","93.489","0.01","111.33","0.02","1276","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N O S -","- C32 H25 N O S -","- C64 H50 N2 O2 S2 -","2","1","","Nandi, Ganesh Chandra; Singh, Maya Shankar","p-TSA/Base-Promoted Propargylation/Cyclization of β-Ketothioamides for the Regioselective Synthesis of Highly Substituted (Hydro)thiophenes.","The Journal of organic chemistry","2016","81","14","5824","5836","10.1021/acs.joc.6b00342","","","0.71073","MoKα","","0.1329","0.0638","","","0.1566","0.1823","","","","","","0.581","","","","has coordinates","235111","2020-10-21","18:00:00",""
"4036710","9.693","0.008","11.824","0.01","12.174","0.009","75.4","0.03","81.66","0.04","88.8","0.04","1335.8","1.9","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cl N O2 S -","- C32 H26 Cl N O2 S -","- C64 H52 Cl2 N2 O4 S2 -","2","1","","Nandi, Ganesh Chandra; Singh, Maya Shankar","p-TSA/Base-Promoted Propargylation/Cyclization of β-Ketothioamides for the Regioselective Synthesis of Highly Substituted (Hydro)thiophenes.","The Journal of organic chemistry","2016","81","14","5824","5836","10.1021/acs.joc.6b00342","","","0.71073","MoKα","","0.1498","0.0749","","","0.1592","0.1835","","","","","","0.684","","","","has coordinates","235113","2020-10-21","18:00:00",""
"4036711","9.594","0.007","9.699","0.007","11.132","0.006","67.85","0.05","65.73","0.04","70.29","0.05","854","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cl N O -","- C22 H16 Cl N O -","- C44 H32 Cl2 N2 O2 -","2","1","","Liu, Le; Zhang, Tonghuan; Yang, Yun-Fang; Zhang-Negrerie, Daisy; Zhang, Xinhao; Du, Yunfei; Wu, Yun-Dong; Zhao, Kang","Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study.","The Journal of organic chemistry","2016","81","10","4058","4065","10.1021/acs.joc.6b00345","","","0.71073","MoKα","","0.058","0.0558","","","0.1473","0.1497","","","","","","1.049","","","","has coordinates","235115","2020-10-21","18:00:00",""
"4036712","14.855","0.008","14.726","0.008","16.022","0.009","90","","90","","90","","3505","3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Cl N O -","- C22 H18 Cl N O -","- C176 H144 Cl8 N8 O8 -","8","1","","Liu, Le; Zhang, Tonghuan; Yang, Yun-Fang; Zhang-Negrerie, Daisy; Zhang, Xinhao; Du, Yunfei; Wu, Yun-Dong; Zhao, Kang","Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study.","The Journal of organic chemistry","2016","81","10","4058","4065","10.1021/acs.joc.6b00345","","","0.71073","MoKα","","0.0565","0.0448","","","0.1058","0.1126","","","","","","1.024","","","","has coordinates","235117","2020-10-21","18:00:00",""
"4036713","11.2211","0.0014","12.2573","0.0016","12.3317","0.0017","64.763","0.003","84.332","0.003","62.918","0.002","1356.4","0.3","293","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 N O3 -","- C35 H29 N O3 -","- C70 H58 N2 O6 -","2","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.0967","0.051","","","0.1172","0.1391","","","","","","1.016","","","","has coordinates","235119","2020-10-21","18:00:00",""
"4036714","9.5214","0.0014","10.2787","0.0016","12.4442","0.0019","83.817","0.004","81.424","0.003","88.874","0.004","1197.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O -","- C33 H25 N O -","- C66 H50 N2 O2 -","2","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.0895","0.0558","","","0.1343","0.1535","","","","","","1.017","","","","has coordinates","235121","2020-10-21","18:00:00",""
"4036715","6.3888","0.0011","21.936","0.004","22.578","0.004","90","","90","","90","","3164.2","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N O2 -","- C42 H33 N O2 -","- C168 H132 N4 O8 -","4","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.076","0.0476","","","0.1035","0.116","","","","","","0.953","","","","has coordinates","235122","2020-10-21","18:00:00",""
"4036716","11.0733","0.001","13.034","0.0013","19.5764","0.0019","90","","93.82","0.003","90","","2819.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 N O3 -","- C35 H29 N O3 -","- C140 H116 N4 O12 -","4","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.1061","0.0545","","","0.1302","0.1541","","","","","","1.013","","","","has coordinates","235124","2020-10-21","18:00:00",""
"4036717","7.2421","0.0016","7.249","0.0016","12.642","0.003","90","","90","","90","","663.7","0.3","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 N6 -","- C4 H8 N6 -","- C16 H32 N24 -","4","1","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0381","0.0369","","","0.0953","0.096","","","","","","1.103","","","","has coordinates","235126","2020-10-21","18:00:00",""
"4036718","14.8994","0.0009","10.3474","0.0007","28.42","0.002","90","","90.814","0.002","90","","4381.1","0.5","300","2","300","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 N6 -","- C8 H16 N6 -","- C128 H256 N96 -","16","2","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0705","0.0531","","","0.1428","0.1562","","","","","","1.029","","","","has coordinates","235128","2020-10-21","18:00:00",""
"4036719","20.343","0.005","20.343","0.005","9.88","0.003","90","","90","","120","","3540.9","1.6","233","2","233","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C5 H10 N6 -","- C5 H10 N6 -","- C90 H180 N108 -","18","0.5","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0579","0.0442","","","0.1214","0.133","","","","","","1.045","","","","has coordinates","235130","2020-10-21","18:00:00",""
"4036720","7.3976","0.001","7.3976","0.001","13.714","0.002","90","","90","","90","","750.49","0.18","230","2","230","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C5 H10 N6 -","- C5 H10 N6 -","- C20 H40 N24 -","4","0.5","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0322","0.0294","","","0.0821","0.084","","","","","","1.116","","","","has coordinates","235131","2020-10-21","18:00:00",""
"4036724","7.083","0.0007","11.3665","0.0014","12.0396","0.0015","90","","90","","90","","969.3","0.19","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 N6 -","- C7 H14 N6 -","- C28 H56 N24 -","4","1","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0579","0.0429","","","0.1153","0.1247","","","","","","1.051","","","","has coordinates","235133","2020-10-21","18:00:00",""
"4036725","7.4349","0.0013","9.2666","0.0014","12.249","0.002","90","","103.723","0.006","90","","819.8","0.2","205","2","205","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N6 -","- C6 H12 N6 -","- C24 H48 N24 -","4","1","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0663","0.0468","","","0.1194","0.133","","","","","","1.051","","","","has coordinates","235135","2020-10-21","18:00:00",""
"4036726","15.079","0.005","9.051","0.003","15.77","0.005","90","","90.259","0.004","90","","2152.3","1.2","296","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F6 O5 P -","- C21 H19 F6 O5 P -","- C84 H76 F24 O20 P4 -","4","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.062","0.0517","","","0.1498","0.1683","","","","","","1.093","","","","has coordinates","235137","2020-10-21","18:00:00",""
"4036727","9.297","0.005","12.571","0.006","15.387","0.007","90","","101.619","0.007","90","","1761.5","1.5","296","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 O5 P -","- C18 H19 O5 P -","- C72 H76 O20 P4 -","4","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.1218","0.0584","","","0.1535","0.188","","","","","","1","","","","has coordinates","235137","2020-10-21","18:00:00",""
"4036728","14.973","0.006","11.931","0.004","13.665","0.005","90","","109.548","0.005","90","","2300.5","1.5","296","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F6 O6 P -","- C21 H23 F6 O6 P -","- C84 H92 F24 O24 P4 -","4","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.0649","0.0472","","","0.1351","0.1559","","","","","","0.981","","","","has coordinates,has disorder","235137","2020-10-21","18:00:00",""
"4036729","6.964","0.007","11.279","0.012","11.328","0.012","71.02","0.011","82.779","0.012","75.326","0.011","813","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 F6 O2 -","- C17 H12 F6 O2 -","- C34 H24 F12 O4 -","2","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.0953","0.0534","","","0.0938","0.104","","","","","","1.489","","","","has coordinates","235137","2020-10-21","18:00:00",""
"4036730","7.5811","0.0002","11.5805","0.0003","24.0536","0.0009","90","","90","","90","","2111.74","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","1","","Buchman, Marek; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Houlsby, Ian T. T.; Roberts, Paul M.; Rowe, Sam M.; Thomson, James E.","Asymmetric Syntheses of (+)-Preussin B, the C(2)-Epimer of (-)-Preussin B, and 3-Deoxy-(+)-preussin B.","The Journal of organic chemistry","2016","81","12","4907","4922","10.1021/acs.joc.6b00362","","","0.71073","MoKα","","0.0577","0.043","","0.0999","0.092","0.0999","","","","","","0.9877","","","","has coordinates","235139","2020-10-21","18:00:00",""
"4036731","16.0224","0.0012","16.2752","0.0014","18.4727","0.0016","78.849","0.003","77.882","0.002","64.901","0.002","4235.3","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H49 Cl2 I -","- C55 H49 Cl2 I -","- C220 H196 Cl8 I4 -","4","2","","Hibi, Daijiro; Kitabayashi, Kenichi; Fujita, Kazuya; Takeda, Takashi; Tobe, Yoshito","Diindenopyrenes: Extended 1,6- and 1,8-Pyrenoquinodimethanes with Singlet Diradical Characters.","The Journal of organic chemistry","2016","81","9","3735","3743","10.1021/acs.joc.6b00389","","","0.71075","MoKα","","0.1601","0.0816","","","0.1682","0.2217","","","","","","1.004","","","","has coordinates,has disorder","235141","2020-10-21","18:00:00",""
"4036732","9.5696","0.0007","10.6323","0.0006","26.1335","0.0014","90","","90","","90","","2659","0.3","300.79","0.1","300.79","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 Br N O3 -","- C27 H38 Br N O3 -","- C108 H152 Br4 N4 O12 -","4","1","","Zhang, Xiang-Zhi; Deng, Yu-Hua; Yan, Xu; Yu, Ke-Yin; Wang, Fang-Xin; Ma, Xiao-Yan; Fan, Chun-An","Diastereoselective and Enantioselective Synthesis of Unsymmetric β,β-Diaryl-α-Amino Acid Esters via Organocatalytic 1,6-Conjugate Addition of para-Quinone Methides.","The Journal of organic chemistry","2016","81","13","5655","5662","10.1021/acs.joc.6b00390","","x-ray","1.54184","CuKα","","0.0479","0.0419","","","0.1078","0.1173","","","","","","1.09","","","","has coordinates","235143","2020-10-21","18:00:00",""
"4036733","11.6051","0.0005","22.0708","0.001","21.4258","0.0012","90","","90","","90","","5487.9","0.5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H26 N4 -","- C34 H26 N4 -","- C272 H208 N32 -","8","1","","Nebe, Marco M.; Kucukdisli, Murat; Opatz, Till","3,4-Dihydro-2H-pyrrole-2-carbonitriles: Useful Intermediates in the Synthesis of Fused Pyrroles and 2,2'-Bipyrroles.","The Journal of organic chemistry","2016","81","10","4112","4121","10.1021/acs.joc.6b00393","","","0.71073","MoKα","","0.1126","0.0462","","","0.0927","0.1157","","","","","","0.905","","","","has coordinates","235145","2020-10-21","18:00:00",""
"4036734","7.888","0.004","12.138","0.005","16.364","0.008","90","","90","","90","","1566.8","1.3","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.033","0.0296","","","0.0679","0.0695","","","","","","1.07","","","","has coordinates","235148","2020-10-21","18:00:00",""
"4036735","7.8","0.003","11.334","0.005","18.031","0.007","90","","90","","90","","1594","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0339","0.0316","","","0.074","0.0756","","","","","","1.096","","","","has coordinates","235150","2020-10-21","18:00:00",""
"4036736","7.997","0.002","11.722","0.002","16.948","0.003","90","","90","","90","","1588.7","0.6","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0249","0.0231","","","0.0543","0.0551","","","","","","1.086","","","","has coordinates","235152","2020-10-21","18:00:00",""
"4036737","8.028","0.002","11.128","0.002","18.411","0.004","90","","90","","90","","1644.8","0.6","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0201","0.0196","","","0.0469","0.0471","","","","","","1.15","","","","has coordinates","235154","2020-10-21","18:00:00",""
"4036738","7.779","0.004","12.148","0.005","16.057","0.007","90","","90","","90","","1517.4","1.2","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0213","0.0197","","","0.0426","0.0431","","","","","","1.069","","","","has coordinates","235156","2020-10-21","18:00:00",""
"4036739","7.985","0.003","11.766","0.004","17.716","0.007","90","","90","","90","","1664.4","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0291","0.0287","","","0.0753","0.0755","","","","","","1.105","","","","has coordinates","235158","2020-10-21","18:00:00",""
"4036740","7.957","0.003","10.91","0.004","18.607","0.007","90","","90","","90","","1615.3","1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Cl2 I4 N2 -","- C10 H2 Cl2 I4 N2 -","- C40 H8 Cl8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0167","0.0163","","","0.0389","0.0393","","","","","","1.122","","","","has coordinates","235159","2020-10-21","18:00:00",""
"4036741","8.219","0.003","11.493","0.005","18.059","0.007","90","","90","","90","","1705.9","1.2","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 I6 N2 -","- C10 H2 I6 N2 -","- C40 H8 I24 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0204","0.02","","","0.0486","0.0488","","","","","","1.22","","","","has coordinates","235161","2020-10-21","18:00:00",""
"4036742","7.6444","0.0001","11.7708","0.0002","16.6604","0.0003","90","","90","","90","","1499.11","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br6 N2 -","- C10 H2 Br6 N2 -","- C40 H8 Br24 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","1.54184","CuKα","","0.029","0.0287","","","0.0754","0.0754","","","","","","1.159","","","","has coordinates","235163","2020-10-21","18:00:00",""
"4036743","7.906","0.003","11.78","0.005","17.605","0.007","90","","90","","90","","1639.6","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Cl2 I4 N2 -","- C10 H2 Cl2 I4 N2 -","- C40 H8 Cl8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.022","0.0217","","","0.0519","0.052","","","","","","1.187","","","","has coordinates","235165","2020-10-21","18:00:00",""
"4036744","7.659","0.004","11.921","0.006","15.999","0.011","90","","90","","90","","1460.8","1.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 Cl2 N2 -","- C10 H2 Br4 Cl2 N2 -","- C40 H8 Br16 Cl8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0265","0.0236","","","0.0521","0.0532","","","","","","1.042","","","","has coordinates","235167","2020-10-21","18:00:00",""
"4036745","8.034","0.002","11.838","0.002","16.278","0.003","90","","90","","90","","1548.1","0.5","102","2","102","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0163","0.0152","","","0.0331","0.0333","","","","","","1.081","","","","has coordinates","235168","2020-10-21","18:00:00",""
"4036746","8.177","0.006","12.152","0.008","16.434","0.01","90","","90","","90","","1633","1.9","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0213","0.0191","","","0.0382","0.0389","","","","","","1.082","","","","has coordinates","235170","2020-10-21","18:00:00",""
"4036747","7.913","0.005","11.911","0.009","15.781","0.012","90","","90","","90","","1487.4","1.9","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0271","0.0243","","","0.0515","0.0523","","","","","","1.041","","","","has coordinates","235171","2020-10-21","18:00:00",""
"4036748","34.888","0.004","4.8922","0.0005","17.4916","0.0017","90","","110.613","0.001","90","","2794.3","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 B F2 N3 -","- C17 H12 B F2 N3 -","- C136 H96 B8 F16 N24 -","8","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0506","0.0367","","","0.0889","0.0985","","","","","","1.016","","","","has coordinates","235173","2020-10-21","18:00:00",""
"4036749","7.6921","0.0008","11.1753","0.0019","11.9129","0.0012","109.312","0.001","108.557","0.001","100.366","0.002","868.39","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 B F2 N3 -","- C20 H18 B F2 N3 -","- C40 H36 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0587","0.0466","","","0.1229","0.1331","","","","","","1.023","","","","has coordinates","235175","2020-10-21","18:00:00",""
"4036750","13.041","0.002","20.065","0.004","7.4322","0.0013","90","","105.281","0.002","90","","1876","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 B F2 N3 -","- C22 H22 B F2 N3 -","- C88 H88 B4 F8 N12 -","4","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.1062","0.0507","","","0.1145","0.1414","","","","","","0.996","","","","has coordinates","235176","2020-10-21","18:00:00",""
"4036751","10.496","0.002","11.1292","0.0011","11.1886","0.0012","117.414","0.001","99.163","0.002","93.096","0.001","1133.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 B F2 N3 -","- C26 H30 B F2 N3 -","- C52 H60 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0756","0.0645","","","0.2303","0.2534","","","","","","0.98","","","","has coordinates","235178","2020-10-21","18:00:00",""
"4036752","8.767","0.003","10.13","0.004","10.958","0.004","113.466","0.004","90.443","0.004","102.176","0.004","868","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 B F2 N3 -","- C20 H18 B F2 N3 -","- C40 H36 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.069","0.0513","","","0.1338","0.1481","","","","","","1.035","","","","has coordinates","235180","2020-10-21","18:00:00",""
"4036753","7.202","0.0015","11.602","0.002","12.935","0.003","69.074","0.002","76.029","0.003","81.505","0.003","977.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 B F2 N3 O -","- C23 H20 B F2 N3 O -","- C46 H40 B2 F4 N6 O2 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.105","0.0553","","","0.139","0.1683","","","","","","0.994","","","","has coordinates","235181","2020-10-21","18:00:00",""
"4036754","7.4969","0.0009","9.2933","0.0011","15.1595","0.0017","97.635","0.001","102.255","0.001","106.779","0.001","966.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 B F2 N3 -","- C24 H20 B F2 N3 -","- C48 H40 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0703","0.044","","","0.1011","0.1146","","","","","","1.008","","","","has coordinates","235182","2020-10-21","18:00:00",""
"4036755","8.5259","0.0013","9.9712","0.0016","10.9526","0.0017","115.832","0.002","93.243","0.002","103.522","0.002","801.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 B F2 N3 -","- C19 H16 B F2 N3 -","- C38 H32 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0503","0.0429","","","0.1195","0.1262","","","","","","1.009","","","","has coordinates","235184","2020-10-21","18:00:00",""
"4036756","7.4751","0.0009","11.1726","0.0014","13.0125","0.0016","67.781","0.001","85.089","0.002","87.239","0.002","1002.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 B F2 N3 -","- C23 H24 B F2 N3 -","- C46 H48 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0753","0.0488","","","0.1339","0.1488","","","","","","1.067","","","","has coordinates","235185","2020-10-21","18:00:00",""
"4036757","8.4882","0.0002","10.2664","0.0002","15.0606","0.0002","90","","90","","90","","1312.43","0.04","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0298","0.029","","","0.0781","0.0791","","","","","","1.084","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036758","8.5748","0.0003","10.793","0.0005","28.438","0.001","90","","90","","90","","2631.87","0.18","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.047","0.0449","","","0.1271","0.1281","","","","","","1.165","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036759","6.948","0.0001","18.3628","0.0003","7.7302","0.0001","90","","105.05","0.002","90","","952.43","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0279","0.0278","","","0.0724","0.0725","","","","","","1.054","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036760","6.0837","0.0002","14.3011","0.0004","30.2301","0.0012","90","","90","","90","","2630.13","0.15","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0401","0.0371","","","0.0935","0.0958","","","","","","1.04","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036761","5.8785","0.0002","14.9793","0.0004","24.3269","0.0008","90","","90","","90","","2142.13","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54178","CuKα","","0.0532","0.0436","","","0.1147","0.1223","","","","","","1.046","","","","has coordinates","235196","2020-10-21","18:00:00",""
"4036762","10.5693","0.0007","10.696","0.0004","19.722","0.0012","90","","131.354","0.01","90","","1673.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Br F3 -","- C19 H20 Br F3 -","- C76 H80 Br4 F12 -","4","1","","Sandzhieva, Maria A.; Kazakova, Anna N.; Boyarskaya, Irina A.; Ivanov, Alexandr Yu; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Friedel-Crafts Alkylation of Arenes with 2-Halogeno-2-CF3-styrenes under Superacidic Conditions. Access to Trifluoromethylated Ethanes and Ethenes.","The Journal of organic chemistry","2016","81","12","5032","5045","10.1021/acs.joc.6b00419","","x-ray","1.54184","CuKα","","0.0423","0.034","","","0.0829","0.0895","","","","","","1.029","","","","has coordinates,has disorder","235198","2020-10-21","18:00:00",""
"4036763","17.0506","0.0013","22.1823","0.0017","24.7831","0.0019","90","","90","","90","","9373.5","1.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4CMeCz","","","- C66 H52 N4 -","- C66 H52 N4 -","- C528 H416 N32 -","8","1","","Kuroda, Yasuhiro; Sakamoto, Youichi; Suzuki, Toshiyasu; Kayahara, Eiichi; Yamago, Shigeru","Tetracyclo(2,7-carbazole)s: Diatropicity and Paratropicity of Inner Regions of Nanohoops.","The Journal of organic chemistry","2016","81","8","3356","3363","10.1021/acs.joc.6b00425","","","0.7","synchrotron","","0.1914","0.1646","","","0.4331","0.447","","","","","","3.14","","","","has coordinates","235200","2020-10-21","18:00:00",""
"4036764","10.5666","0.0003","7.77628","0.00017","11.6785","0.0003","90","","109.491","0.003","90","","904.62","0.04","174","2","174","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br2 N2 O2 -","- C19 H16 Br2 N2 O2 -","- C38 H32 Br4 N4 O4 -","2","1","","Ding, Zong-Cang; Ju, Lu-Chuan; Yang, Ying; An, Xiao-Ming; Zhou, Yun-Bing; Li, Ren-Hao; Tang, Hai-Tao; Ding, Cheng-Ke; Zhan, Zhuang-Ping","Silver(I)-Catalyzed Tandem Sigamatropic Rearrangement/1,3-H Shift/6π Aza-electrocyclization of N-Propargylic Hydrazones: A Mild Synthetic Route to 1,6-Dihydropyridazines.","The Journal of organic chemistry","2016","81","9","3936","3941","10.1021/acs.joc.6b00428","","","1.54184","CuKα","","0.0242","0.0241","","","0.0649","0.0649","","","","","","1.098","","","","has coordinates","235202","2020-10-21","18:00:00",""
"4036765","5.5202","0.0002","13.6425","0.0005","20.1076","0.0009","107.956","0.004","91.404","0.004","90.12","0.003","1440.03","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 Br O2 -","- C17 H13 Br O2 -","- C68 H52 Br4 O8 -","4","2","","Feng, Liyan; Yan, Hang; Yang, Chao; Chen, Dafa; Xia, Wujiong","Visible-Light Induced Direct Synthesis of Polysubstituted Furans from Cyclopropyl Ketones.","The Journal of organic chemistry","2016","81","16","7008","7022","10.1021/acs.joc.6b00436","","x-ray","0.71073","MoKα","","0.0874","0.0669","","","0.168","0.1843","","","","","","1.078","","","","has coordinates","235204","2020-10-21","18:00:00",""
"4036766","11.0527","0.0015","11.0527","0.0015","18.729","0.003","90","","90","","120","","1981.4","0.5","273","2","273","2","","","","","","","","4","P 3","P 3","143","","","","- C21.67 H36 Ho0 O17.67 -","- C21.6667 H36 O17.6667 -","- C65 H108 O53 -","3","1","","Maiti, Krishnagopal; Jayaraman, Narayanaswamy","Synthesis and Structure of Cyclic Trisaccharide with Expanded Glycosidic Linkages.","The Journal of organic chemistry","2016","81","11","4616","4622","10.1021/acs.joc.6b00462","","","0.71073","MoKα","","0.1307","0.1054","","","0.2822","0.301","","","","","","1.045","","","","has coordinates","235206","2020-10-21","18:00:00",""
"4036767","9.1134","0.0011","13.83","0.002","16.661","0.002","89.312","0.005","75.124","0.005","87.829","0.006","2028.1","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H36 N2 O4 -","- C56 H36 N2 O4 -","- C112 H72 N4 O8 -","2","1","","Wang, Guangxia; Xiao, Hongmei; He, Jiaojiao; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","Molecular Turnstiles Regulated by Metal Ions.","The Journal of organic chemistry","2016","81","8","3364","3371","10.1021/acs.joc.6b00463","","","0.71073","MoKα","","0.0595","0.0544","","","0.1311","0.1349","","","","","","1.11","","","","has coordinates,has disorder","235208","2020-10-21","18:00:00",""
"4036768","11.094","0.002","13.316","0.003","31.782","0.006","90","","94.03","0.03","90","","4683.5","1.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H50 F12 N6 P2 -","- C51 H50 F12 N6 P2 -","- C204 H200 F48 N24 P8 -","4","1","","Sabater, Paula; Zapata, Fabiola; Caballero, Antonio; Fernández, Israel; Ramirez de Arellano, Carmen; Molina, Pedro","2,4,5-Trimethylimidazolium Scaffold for Anion Recognition Receptors Acting Through Charge-Assisted Aliphatic and Aromatic C-H Interactions.","The Journal of organic chemistry","2016","81","9","3790","3798","10.1021/acs.joc.6b00468","","","0.71073","MoKα","","0.1805","0.0674","","","0.1687","0.226","","","","","","0.941","","","","has coordinates","235210","2020-10-21","18:00:00",""
"4036769","13.361","0.008","11.884","0.009","8.306","0.007","90","","90.21","0.015","90","","1318.8","1.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 O3 -","- C13 H15 Cl N2 O3 -","- C52 H60 Cl4 N8 O12 -","4","1","","Yamada, Ken-Ichi; Matsumoto, Yusuke; Fujii, Shintaro; Konishi, Takehito; Yamaoka, Yousuke; Takasu, Kiyosei","Striking Difference between Succinimidomethyl and Phthalimidomethyl Radicals in Conjugate Addition to Alkylidenemalonate Initiated by Dimethylzinc.","The Journal of organic chemistry","2016","81","9","3809","3817","10.1021/acs.joc.6b00485","","","1.54187","CuKα","","0.0365","0.0345","","","0.0898","0.0936","","","","","","1.111","","","","has coordinates","235212","2020-10-21","18:00:00",""
"4036770","5.88884","0.00012","12.3215","0.0003","22.2795","0.0005","90","","90","","90","","1616.59","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C64 H88 O16 S4 -","4","1","","Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno","Total Synthesis of (-)-Luminacin D.","The Journal of organic chemistry","2016","81","9","3818","3837","10.1021/acs.joc.6b00489","","x-ray","0.71073","MoKα","","0.037","0.0312","","","0.073","0.0755","","","","","","1.066","","","","has coordinates","235214","2020-10-21","18:00:00",""
"4036771","6.0963","0.0003","8.7014","0.0008","8.705","0.0008","66.516","0.009","73.36","0.006","87.831","0.006","404.25","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H25 Br O4 -","- C13 H25 Br O4 -","- C13 H25 Br O4 -","1","1","","Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno","Total Synthesis of (-)-Luminacin D.","The Journal of organic chemistry","2016","81","9","3818","3837","10.1021/acs.joc.6b00489","","x-ray","0.71073","MoKα","","0.0619","0.0486","","","0.1152","0.122","","","","","","0.982","","","","has coordinates","235214","2020-10-21","18:00:00",""
"4036772","8.8263","0.00017","15.6858","0.0003","11.5156","0.0002","90","","106.331","0.002","90","","1529.98","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C60 H80 O16 S4 -","4","1","","Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno","Total Synthesis of (-)-Luminacin D.","The Journal of organic chemistry","2016","81","9","3818","3837","10.1021/acs.joc.6b00489","","x-ray","0.71073","MoKα","","0.0372","0.0315","","","0.0799","0.0835","","","","","","1.04","","","","has coordinates","235214","2020-10-21","18:00:00",""
"4036773","12.5451","0.0007","29.7417","0.0018","8.8141","0.0005","90","","90","","90","","3288.7","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Compound 10","7,14-diphenylnaphtho[2,3-k]fluoranthene-8,13-dione bis(chloroform) solvate","","- C38 H22 Cl6 O2 -","- C38 H22 Cl6 O2 -","- C152 H88 Cl24 O8 -","4","0.5","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.0604","0.0482","","","0.1242","0.1326","","","","","","1.093","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036774","18.3157","0.001","18.8183","0.001","21.1243","0.0012","87.961","0.0007","69.621","0.0007","68.683","0.0007","6323.6","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Compound 13","9,9'-bis(7,14-diphenylnaphtho[2,3-k]fluoranthene-8,13-dione) bis(chloroform) solvate","","- C74 H40 Cl6 O4 -","- C74 H40 Cl6 O4 -","- C296 H160 Cl24 O16 -","4","2","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.1285","0.0689","","","0.1813","0.2191","","","","","","1.036","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036775","17.3959","0.0013","20.6614","0.0015","20.8647","0.0016","90","","110.422","0.001","90","","7027.9","0.9","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Compound 21","9,9'-bis(7,14-diphenyl-10-methoxynaphtho[2,3-k]fluoranthene-8,13-dione) tetra(benzene) solvate","","- C98 H66 O6 -","- C98 H66 O6 -","- C392 H264 O24 -","4","1","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.2008","0.0872","","","0.179","0.2425","","","","","","1.018","","","","has coordinates,has disorder","288542","2023-12-24","01:25:18",""
"4036776","13.7401","0.001","15.1398","0.001","15.943","0.0011","83.378","0.0009","82.646","0.001","70.891","0.0009","3098.4","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Compound 19","12,12'-epoxy-11,11'-bis(9,16-diphenylnaphtho[2,3-b]triphenylene-10,15- dione) di(toluene) solvate","","- C90 H56 O5 -","- C90 H56 O5 -","- C180 H112 O10 -","2","1","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.093","0.0576","","","0.1369","0.1589","","","","","","1.023","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036777","10.679","0.0005","11.214","0.0004","21.5647","0.0009","76.755","0.003","82.687","0.003","69.701","0.003","2354.42","0.18","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Compound 23","10,11'-epoxy-9,10'-bis(7,14-diphenylnaphtho[2,3-k]fluoranthene)","","- C72 H40 O -","- C72 H40 O -","- C144 H80 O2 -","2","1","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","1.54178","CuKα","","0.1952","0.1219","","","0.2085","0.2332","","","","","","1.071","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036778","5.799","0.001","8.02","0.001","11.532","0.001","84.05","0.01","77.38","0.01","70.7","0.01","493.67","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","6-ethyl-5-hydroxy-1,3,5-trimethyl-dihydropyridine-2,4(1H,3H)-dione","","- C9 H16 N2 O3 -","- C9 H16 N2 O3 -","- C18 H32 N4 O6 -","2","1","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","0.71073","MoKα","","0.0445","0.0374","","","0.0971","0.102","","","","","","1.048","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036779","9.4062","0.0004","11.7763","0.0015","11.803","0.0014","74.743","0.01","79.948","0.006","80.083","0.006","1231","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","(5RS,6SR)-5-hydroxy-1,3,5-trimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","2","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","0.71073","MoKα","","0.0442","0.0373","","","0.0932","0.098","","","","","","1.045","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036780","8.21605","0.00005","15.48832","0.00009","26.12024","0.00014","90","","90","","90","","3323.87","0.03","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5R,6S)-1-((2R,4S,5S)-4-((tert.-butyldimethylsilyl)oxy)methyl)- tetrahydrofuran-2-yl)-5-hydroxy-3,5-dimethyl-6-phenyldihydro- pyrimidine-2,4(1H,3H)-dione","","- C29 H50 N2 O6 Si2 -","- C29 H50 N2 O6 Si2 -","- C116 H200 N8 O24 Si8 -","4","1","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","1.54178","CuKα","","0.0271","0.0267","","","0.0683","0.0686","","","","","","1.061","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036781","6.3869","0.0002","23.9885","0.0007","41.8744","0.0014","90","","90","","90","","6415.7","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-((tert-butyldimethylsilyl)oxy)-5-(((2-(trimethylsilyl)propan- 2-yl)oxy)methyl)tetrahydrofuran-2-yl)-5-hydroxy-5-methyl- 6-phenyldihydropyrimidine-2,4(1H,3H)-dione","","- C28 H48 N2 O6 Si2 -","- C28 H48 N2 O6 Si2 -","- C224 H384 N16 O48 Si16 -","8","2","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","1.54178","CuKα","","0.0891","0.0556","","","0.1117","0.1258","","","","","","1.026","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036782","12.218","0.015","19.59","0.02","14.05","0.017","90","","108.61","0.03","90","","3187","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Br S4 Si3 -","- C27 H31 Br S4 Si3 -","- C108 H124 Br4 S16 Si12 -","4","1","","Zhao, Xueqian; Zhang, Lipeng; Song, Jinsheng; Kan, Yuhe; Wang, Hua","Naphthotetrathiophene-Based Helicene-Like Molecules: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","11","4856","4860","10.1021/acs.joc.6b00502","","","0.71073","MoKα","","0.1623","0.0633","","","0.15","0.1774","","","","","","1.005","","","","has coordinates","235221","2020-10-21","18:00:00",""
"4036783","10.0635","0.0006","10.0635","","45.865","0.003","90","","90","","120","","4022.6","0.4","150","","150","","","","","","","","synthesis as described","5","P 61","P 61","169","","","","- C18 H42 N4 O5 Si2 -","- C18 H42 N4 O5 Si2 -","- C108 H252 N24 O30 Si12 -","6","1","","Henrion, Sylvain; Carboni, Bertrand; Cossío, Fernando P; Roisnel, Thierry; Villalgordo, Jose M.; Carreaux, François","Stereospecific Synthesis of α-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes.","The Journal of organic chemistry","2016","81","11","4633","4644","10.1021/acs.joc.6b00505","","x-ray","0.71073","MoKα","","0.1087","0.0962","","","0.2371","0.2429","","","","","","1.124","","","","has coordinates,has disorder","235223","2020-10-21","18:00:00",""
"4036784","10.651","0.002","17.148","0.003","18.327","0.004","90","","90","","90","","3347.3","1.1","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 N4 O6 Si2 -","- C24 H48 N4 O6 Si2 -","- C96 H192 N16 O24 Si8 -","4","1","","Henrion, Sylvain; Carboni, Bertrand; Cossío, Fernando P; Roisnel, Thierry; Villalgordo, Jose M.; Carreaux, François","Stereospecific Synthesis of α-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes.","The Journal of organic chemistry","2016","81","11","4633","4644","10.1021/acs.joc.6b00505","","x-ray","0.71073","MoKα","","0.1972","0.0716","","","0.1221","0.1672","","","","","","0.913","","","","has coordinates","235225","2020-10-21","18:00:00",""
"4036785","5.7156","0.0003","11.8755","0.0007","18.0555","0.001","90","","92.991","0.003","90","","1223.86","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Ricard, Simon; Sanapo, Gabriel F.; Rahem, Neel; Daoust, Benoit","Synthesis of γ,δ-Unsaturated α-Aminoaldehydes Using a Copper-Catalyzed Vinylation Reaction Followed by a Claisen Rearrangement.","The Journal of organic chemistry","2016","81","12","5066","5073","10.1021/acs.joc.6b00512","","","1.54178","CuKα","","0.0537","0.0471","","","0.1185","0.1232","","","","","","1.091","","","","has coordinates","235227","2020-10-21","18:00:00",""
"4036786","10.539","0.002","10.686","0.002","15.652","0.003","90","","90","","90","","1762.7","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Huang, Ya-Nan; Li, Yin-Long; Li, Jian; Deng, Jun","Beyond a Protecting Reagent: DMAP-Catalyzed Cyclization of Boc-Anhydride with 2-Alkenylanilines.","The Journal of organic chemistry","2016","81","11","4645","4653","10.1021/acs.joc.6b00519","","","0.71073","MoKα","","0.0689","0.0464","","","0.1078","0.1161","","","","","","1.025","","","","has coordinates","235229","2020-10-21","18:00:00",""
"4036787","13.9275","0.0004","12.9024","0.0004","19.0049","0.0006","90","","98.603","0.001","90","","3376.72","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cl6 O8 -","- C32 H24 Cl6 O8 -","- C128 H96 Cl24 O32 -","4","1","","Pal, Bikash; Lin, Bo-Chao; Dela Cerna, Mark Vincent Carreon; Hsu, Chao-Ping; Lin, Chih-Hsiu","Face-to-Face Packing of 2,3,9,10-Tetrasubstituted Pentacene Derivatives Revealed through a Solid State [4 + 4] Thermal Cycloaddition and Molecular Dynamic Simulation.","The Journal of organic chemistry","2016","81","15","6223","6234","10.1021/acs.joc.6b00526","","","0.71073","MoKα","","0.125","0.0773","","","0.2264","0.2682","","","","","","1.048","","","","has coordinates","235231","2020-10-21","18:00:00",""
"4036789","10.631","0.004","7.727","0.003","12.428","0.004","90","","101.46","0.03","90","","1000.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N6 -","- C24 H26 N6 -","- C48 H52 N12 -","2","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.0874","0.0412","","","0.0428","0.0451","","","","","","0.962","","","","has coordinates","235234","2020-10-21","18:00:00",""
"4036790","8.243","0.003","9.896","0.003","11.002","0.003","67.26","0.03","70","0.03","85.92","0.03","775.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 Cl4 N6 O2 -","- C26 H46 Cl4 N6 O2 -","- C26 H46 Cl4 N6 O2 -","1","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.05","0.0371","","","0.0869","0.093","","","","","","1.044","","","","has coordinates","235234","2020-10-21","18:00:00",""
"4036791","11.81","0.004","12.323","0.005","18.403","0.008","102.45","0.04","102.42","0.03","96.33","0.03","2519.4","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H75.4 Cl6 N9 O9.2 -","- C36 H70.634 Cl6 N9 O9.201 -","- C72 H141.268 Cl12 N18 O18.402 -","2","1","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1122","0.0696","","","0.204","0.2174","","","","","","1.06","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036792","13.699","0.004","14.041","0.004","16.705","0.005","90","","94.07","0.03","90","","3205.1","1.6","80","2","80","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C48 H94 Cl8 N12 O9 -","- C48 H80 Cl8 N12 O9.002 -","- C96 H160 Cl16 N24 O18.004 -","2","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1547","0.114","","","0.2515","0.2672","","","","","","1.192","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036793","12.688","0.003","12.98","0.004","20.266","0.006","78.23","0.03","83.88","0.03","66.76","0.03","3001.1","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 Cl8 N12 O4 -","- C48 H76 Cl8.001 N12 O4 -","- C96 H152 Cl16.002 N24 O8 -","2","1","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1293","0.0919","","","0.2644","0.2868","","","","","","1.083","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036794","16.114","0.005","17.239","0.005","28.561","0.009","85.55","0.03","78.76","0.03","65.28","0.03","7069","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H214 N24 O63 S8 -","- C96 H152 N24 O62.997 S7.999 -","- C192 H304 N48 O125.994 S15.998 -","2","1","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1742","0.0855","","","0.2115","0.2352","","","","","","1.003","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036795","6.8209","0.0001","17.0464","0.0003","21.4158","0.0004","90","","90","","90","","2490.05","0.07","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 Br N O3 -","- C29 H34 Br N O3 -","- C116 H136 Br4 N4 O12 -","4","1","","Bedford, Robin B.; Brenner, Peter B.; Durrant, Steven J.; Gallagher, Timothy; Méndez-Gálvez, Carolina; Montgomery, Michelle","Palladium-Catalyzed Ortho-Arylation of Carbamate-Protected Estrogens.","The Journal of organic chemistry","2016","81","9","3473","3478","10.1021/acs.joc.6b00532","","","0.71073","MoKα","","0.0316","0.0268","","","0.062","0.0635","","","","","","1.0345","","","","has coordinates","235237","2020-10-21","18:00:00",""
"4036796","7.653","0.002","10.942","0.003","15.068","0.006","90","","90","","90","","1261.8","0.7","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 S -","- C16 H16 S -","- C64 H64 S4 -","4","1","","Vincent, Adrien; Deschamps, Damien; Martzel, Thomas; Lohier, Jean-François; Richards, Christopher J.; Gaumont, Annie-Claude; Perrio, Stéphane","Enantiomerically Pure [2.2]Paracyclophane-4-thiol: A Planar Chiral Sulfur-Based Building Block Readily Available by Resolution with an Amino Acid Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3961","3966","10.1021/acs.joc.6b00560","","","0.71073","MoKα","","0.0665","0.0582","","","0.1472","0.1558","","","","","","1.087","","","","has coordinates","235239","2020-10-21","18:00:00",""
"4036797","11.024","0.001","11.6615","0.001","19.3697","0.0016","90","","90","","90","","2490.1","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C120 H116 N4 O12 S4 -","4","1","","Vincent, Adrien; Deschamps, Damien; Martzel, Thomas; Lohier, Jean-François; Richards, Christopher J.; Gaumont, Annie-Claude; Perrio, Stéphane","Enantiomerically Pure [2.2]Paracyclophane-4-thiol: A Planar Chiral Sulfur-Based Building Block Readily Available by Resolution with an Amino Acid Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3961","3966","10.1021/acs.joc.6b00560","","","0.71073","MoKα","","0.0404","0.0324","","","0.0785","0.0825","","","","","","1.057","","","","has coordinates","235241","2020-10-21","18:00:00",""
"4036798","15.573","0.0007","8.1725","0.0003","17.7139","0.0008","90","","101.95","0.002","90","","2205.6","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","acetonitrile, 3-((4-(methoxycarbonyl)phenyl)ethynyl)- 1-methylquinolin-1-ium salt","","- C22 H19 F6 N2 O2 P -","- C22 H19 F6 N2 O2 P -","- C88 H76 F24 N8 O8 P4 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","0.71073","MoKα","","0.0369","0.0322","","","0.086","0.0893","","","","","","1.051","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036799","13.8445","0.0005","8.2667","0.0003","17.2086","0.0006","90","","106.117","0.001","90","","1892.09","0.12","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-((2-(methoxycarbonyl)phenyl)ethynyl)-1-methylquinolin-1-ium hexafluorophosphate(V)","","- C20 H16 F6 N O2 P -","- C20 H16 F6 N O2 P -","- C80 H64 F24 N4 O8 P4 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","1.54178","CuKα","","0.037","0.033","","","0.0857","0.0887","","","","","","1.063","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036800","13.8271","0.0008","8.2406","0.0005","17.2704","0.0009","90","","106.37","0.002","90","","1888.08","0.19","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","3-((2-((methoxy-d3)carbonyl)phenyl)ethynyl)-1-methylquinolin-1-ium hexafluorophosphate(V)","","- C20 H13 D3 F6 N O2 P -","- C20 H13 D3 F6 N O2 P -","- C80 H52 D12 F24 N4 O8 P4 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","0.71073","MoKα","","0.0542","0.0384","","","0.0813","0.0878","","","","","","1.039","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036801","10.2551","0.0004","6.3701","0.0002","22.6746","0.0008","90","","102.474","0.002","90","","1446.28","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-hydroxy-1-oxo-1H-inden-2-yl)-1-methylquinolin-1-ium chloride","","- C19 H14 Cl N O2 -","- C19 H14 Cl N O2 -","- C76 H56 Cl4 N4 O8 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","1.54178","CuKα","","0.0519","0.0489","","","0.1423","0.1449","","","","","","1.09","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036802","11.1637","0.0009","7.8135","0.0006","12.2928","0.0009","90","","107.143","0.004","90","","1024.63","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H35 N O3 Si -","- C18 H35 N O3 Si -","- C36 H70 N2 O6 Si2 -","2","1","","Kamimura, Akio; Moriyama, Takaaki; Ito, Yuji; Kawamoto, Takuji; Uno, Hidemitsu","Asymmetric Synthesis of Bicyclic Nitrocyclopropanes from Primary Nitro Compounds and Stereoselective Formation of Tetrahydro-2H-cyclopenta[b]furans via Ring Expansion/Cyclization Reaction.","The Journal of organic chemistry","2016","81","11","4664","4681","10.1021/acs.joc.6b00566","","","1.54187","CuKα","","0.0618","0.0566","","","0.1347","0.1407","","","","","","1.041","","","","has coordinates","235246","2020-10-21","18:00:00",""
"4036803","7.0168","0.0016","11.99","0.003","22.723","0.006","90","","90","","90","","1911.7","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 Si -","- C17 H29 N O4 Si -","- C68 H116 N4 O16 Si4 -","4","1","","Kamimura, Akio; Moriyama, Takaaki; Ito, Yuji; Kawamoto, Takuji; Uno, Hidemitsu","Asymmetric Synthesis of Bicyclic Nitrocyclopropanes from Primary Nitro Compounds and Stereoselective Formation of Tetrahydro-2H-cyclopenta[b]furans via Ring Expansion/Cyclization Reaction.","The Journal of organic chemistry","2016","81","11","4664","4681","10.1021/acs.joc.6b00566","","","1.54187","CuKα","","0.1381","0.088","","","0.206","0.2481","","","","","","1.039","","","","has coordinates","235247","2020-10-21","18:00:00",""
"4036804","34.2","0.2","11.86","0.08","6.9","0.05","90","","90","","90","","2799","3","173","","173","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C25 H28 O2 P2 S6 -","- C25 H28 O2 P2 S6 -","- C100 H112 O8 P8 S24 -","4","0.5","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.0708","0.0387","","","0.058","0.0648","","","","","","0.935","","","","has coordinates","235249","2020-10-21","18:00:00",""
"4036805","18.848","0.005","12.694","0.003","16.584","0.005","90","","95.752","0.008","90","","3947.9","1.8","125","","125","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 Cl2 Fe2 P2 S6 -","- C37 H36 Cl2 Fe2 P2 S6 -","- C148 H144 Cl8 Fe8 P8 S24 -","4","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.105","0.0732","","","0.1253","0.1378","","","","","","1.134","","","","has coordinates","235250","2020-10-21","18:00:00",""
"4036806","7.515","0.006","22.102","0.013","10.965","0.008","90","","92.82","0.02","90","","1819","2","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Fe2 P2 S6 -","- C36 H34 Fe2 P2 S6 -","- C72 H68 Fe4 P4 S12 -","2","0.5","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","","0.0934","","","","0.1715","","","","","","1.239","","","","has coordinates","235252","2020-10-21","18:00:00",""
"4036807","8.73","0.05","13.73","0.07","15.62","0.08","79","3","75","3","78","3","1750","3","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H28 Cl2 Fe2 N2 P2 S7 -","- C31 H28 Cl2 Fe2 N2 P2 S7 -","- C62 H56 Cl4 Fe4 N4 P4 S14 -","2","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.0982","0.0507","","","0.0954","0.1129","","","","","","0.989","","","","has coordinates","235254","2020-10-21","18:00:00",""
"4036808","8.3619","0.0013","16.044","0.003","24.922","0.004","93.773","0.014","99.581","0.012","102.67","0.012","3198.3","1","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 O2 P2 S6 -","- C30 H30 O2 P2 S6 -","- C120 H120 O8 P8 S24 -","4","2","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.1595","0.106","","","0.2399","0.3003","","","","","","1.125","","","","has coordinates","235255","2020-10-21","18:00:00",""
"4036809","23.798","0.003","7.4405","0.0009","37.885","0.003","90","","90.297","0.008","90","","6708.2","1.3","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H34 Fe2 P2 S6 -","- C32 H34 Fe2 P2 S6 -","- C256 H272 Fe16 P16 S48 -","8","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","","0.0697","","","","0.1735","","","","","","1.051","","","","has coordinates","235257","2020-10-21","18:00:00",""
"4036810","7.47","0.04","12.42","0.07","17.85","0.11","101","4","94","4","99","4","1597","4","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 Fe2 P2 S6 -","- C31 H32 Fe2 P2 S6 -","- C62 H64 Fe4 P4 S12 -","2","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.1686","0.0799","","","0.1303","0.1613","","","","","","1.027","","","","has coordinates","235259","2020-10-21","18:00:00",""
"4036811","20.582","0.004","6.5265","0.0013","17.616","0.004","90","","90.763","0.003","90","","2366.1","0.8","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O Si -","- C29 H28 O Si -","- C116 H112 O4 Si4 -","4","1","","Shintani, Ryo; Kurata, Hiroki; Nozaki, Kyoko","Intermolecular Three-Component Arylsilylation of Alkynes under Palladium/Copper Cooperative Catalysis.","The Journal of organic chemistry","2016","81","8","3065","3069","10.1021/acs.joc.6b00587","","","0.71075","MoKα","","0.0604","0.0582","","","0.1423","0.1436","","","","","","1.138","","","","has coordinates","235261","2020-10-21","18:00:00",""
"4036812","11.793","0.006","5.631","0.003","13.738","0.006","90","","104.854","0.005","90","","881.8","0.8","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H17 Br -","- C24 H17 Br -","- C48 H34 Br2 -","2","1","","Shintani, Ryo; Kurata, Hiroki; Nozaki, Kyoko","Intermolecular Three-Component Arylsilylation of Alkynes under Palladium/Copper Cooperative Catalysis.","The Journal of organic chemistry","2016","81","8","3065","3069","10.1021/acs.joc.6b00587","","","0.71075","MoKα","","0.0501","0.0438","","","0.0951","0.1014","","","","","","1.049","","","","has coordinates","235263","2020-10-21","18:00:00",""
"4036813","9.467","0.0001","9.0299","0.0001","13.0503","0.0002","90","","110.756","0.001","90","","1043.21","0.02","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C50 H50 N2 O10 -","2","1","","Yang, Xue; Zhang, Yu-Chen; Zhu, Qiu-Ning; Tu, Man-Su; Shi, Feng","Diastereo- and Enantioselective Construction of the Hexahydrocoumarin Scaffold via an Organocatalytic Asymmetric [3 + 3] Cyclization.","The Journal of organic chemistry","2016","81","12","5056","5065","10.1021/acs.joc.6b00603","","","1.54178","CuKα","","0.0337","0.0328","","","0.0788","0.0796","","","","","","1.035","","","","has coordinates","235265","2020-10-21","18:00:00",""
"4036814","7.0745","0.0002","7.2465","0.0002","10.1757","0.0003","76.6471","0.0012","71.3133","0.0014","68.9809","0.0013","457.29","0.02","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N5 O2 -","- C8 H7 N5 O2 -","- C16 H14 N10 O4 -","2","1","","Imai, Taro; Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 5-Aryl-2-Alkyltetrazoles with Aromatic Aldehydes, Alkylhydrazine, Di-tert-butyl Azodicarboxylate, and [Bis(trifluoroacetoxy)iodo]benzene.","The Journal of organic chemistry","2016","81","9","3975","3980","10.1021/acs.joc.6b00606","","","1.54178","CuKα","","0.0345","0.0335","","","0.0929","0.0938","","","","","","1.035","","","","has coordinates","235267","2020-10-21","18:00:00",""
"4036815","12.49463","0.00006","6.03595","0.00005","12.70711","0.00006","90","","99.5432","0.0005","90","","945.069","0.01","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H17 Br O4 -","- C22 H17 Br O4 -","- C44 H34 Br2 O8 -","2","1","","Bose, Sritama; Yang, Jun; Yu, Zhi-Xiang","Formal Synthesis of Gracilamine Using Rh(I)-Catalyzed [3 + 2 + 1] Cycloaddition of 1-Yne-Vinylcyclopropanes and CO.","The Journal of organic chemistry","2016","81","15","6757","6765","10.1021/acs.joc.6b00608","","","1.54184","CuKα","","0.0261","0.026","","","0.0684","0.0684","","","","","","1.076","","","","has coordinates","235269","2020-10-21","18:00:00",""
"4036816","8.9516","0.0007","10.8253","0.0008","27.1895","0.0019","90","","90","","90","","2634.8","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","2","","Bose, Sritama; Yang, Jun; Yu, Zhi-Xiang","Formal Synthesis of Gracilamine Using Rh(I)-Catalyzed [3 + 2 + 1] Cycloaddition of 1-Yne-Vinylcyclopropanes and CO.","The Journal of organic chemistry","2016","81","15","6757","6765","10.1021/acs.joc.6b00608","","","0.71073","MoKα","","0.0853","0.0465","","","0.079","0.0918","","","","","","0.991","","","","has coordinates","235271","2020-10-21","18:00:00",""
"4036817","10.717","0.003","11.387","0.004","17.576","0.005","84.285","0.011","76.475","0.001","83.963","0.012","2067.6","1.1","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C104 H88 N8 O12 -","4","2","","Dighe, Shashikant U.; Mahar, Rohit; Shukla, Sanjeev K.; Kant, Ruchir; Srivastava, Kumkum; Batra, Sanjay","Synthesis of S-(-)-5,6-Dihydrocanthin-4-ones via a Triple Cooperative Catalysis-Mediated Domino Reaction.","The Journal of organic chemistry","2016","81","11","4751","4761","10.1021/acs.joc.6b00613","","","0.71075","MoKα","","0.063","0.0503","","","0.1277","0.1378","","","","","","1.069","","","","has coordinates","235273","2020-10-21","18:00:00",""
"4036818","10.1097","0.0007","37.046","0.003","12.8847","0.0009","90","","91.85","0.003","90","","4823.1","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H46 F3 N2 O10 -","- C45 H46 F3 N2 O10 -","- C180 H184 F12 N8 O40 -","4","2","","Hu, Wei-Bo; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","A1/A2-Diamino-Substituted Pillar[5]arene-Based Acid-Base-Responsive Host-Guest System.","The Journal of organic chemistry","2016","81","9","3877","3881","10.1021/acs.joc.6b00617","","","0.71073","MoKα","","0.1604","0.1095","","","0.2936","0.3266","","","","","","1.031","","","","has coordinates","235275","2020-10-21","18:00:00",""
"4036819","14.289","0.003","15.287","0.003","15.562","0.003","61.452","0.002","88.618","0.003","80.588","0.003","2940.1","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 Br N4 O -","- C18 H23 Br N4 O -","- C108 H138 Br6 N24 O6 -","6","3","","Tamaki, Airi; Kojima, Satoshi; Yamamoto, Yohsuke","Examination of Pyridazine as a Possible Scaffold for Nucleophilic Catalysis.","The Journal of organic chemistry","2016","81","19","8710","8721","10.1021/acs.joc.6b00630","","","0.71073","MoKα","","0.1343","0.0709","","","0.1692","0.2018","","","","","","1.04","","","","has coordinates,has disorder","235278","2020-10-21","18:00:00",""
"4036820","7.2339","0.0002","13.8782","0.0005","17.753","0.0006","90","","90","","90","","1782.29","0.1","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.34139","GaKα","","0.0377","0.0375","","","0.0968","0.097","","","","","","1.181","","","","has coordinates","235281","2020-10-21","18:00:00",""
"4036821","5.5592","0.0014","11.717","0.003","26.483","0.007","90","","90","","90","","1725","0.8","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O -","- C21 H29 N O -","- C84 H116 N4 O4 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.34139","GaKα","","0.1597","0.0688","","","0.1306","0.166","","","","","","0.993","","","","has coordinates","235283","2020-10-21","18:00:00",""
"4036822","10.8965","0.0005","11.6817","0.0006","16.411","0.0008","90","","90","","90","","2088.95","0.18","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 I N O -","- C23 H36 I N O -","- C92 H144 I4 N4 O4 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.54178","CuKα","","0.0188","0.0188","","","0.0505","0.0505","","","","","","1.106","","","","has coordinates","235285","2020-10-21","18:00:00",""
"4036823","9.149","0.005","10.448","0.006","12.712","0.008","80.924","0.013","71.346","0.011","89.687","0.013","1135.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N5 O3 S -","- C25 H21 N5 O3 S -","- C50 H42 N10 O6 S2 -","2","1","","Zhao, Yingying; Hu, Yancheng; Wang, Haolong; Li, Xincheng; Wan, Boshun","Transition-Metal Controlled Diastereodivergent Radical Cyclization/Azidation Cascade of 1,7-Enynes.","The Journal of organic chemistry","2016","81","10","4412","4420","10.1021/acs.joc.6b00655","","","0.71073","MoKα","","0.0616","0.0483","","","0.1241","0.1346","","","","","","1.026","","","","has coordinates","235287","2020-10-21","18:00:00",""
"4036824","7.641","0.009","9.967","0.012","10.058","0.013","87.78","0.02","80.78","0.02","67.547","0.018","698.6","1.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C36 H36 O6 -","2","1","","Li, Yue; Yang, Wen; Cheng, Guo; Yang, Dingqiao","Palladium-Catalyzed syn-Stereocontrolled Ring-Opening of Oxabicyclic Alkenes with Sodium Arylsulfinates.","The Journal of organic chemistry","2016","81","11","4744","4750","10.1021/acs.joc.6b00667","","","0.71073","MoKα","","0.0566","0.0452","","","0.1151","0.1273","","","","","","1.025","","","","has coordinates","235289","2020-10-21","18:00:00",""
"4036825","9.995","0.002","19.045","0.004","11.123","0.002","90","","98.823","0.01","90","","2092.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-((3R*,4R*)-2,2-bis(4-methoxyphenyl)-4-methyl-5-oxotetrahydrofuran-3-yl)- 1,3-dimethylurea","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0917","0.0446","","","0.0922","0.1017","","","","","","0.999","","","","has coordinates","235291","2020-10-21","18:00:00",""
"4036826","26.963","0.004","6.5609","0.0011","21.337","0.003","90","","128.177","0.005","90","","2967.2","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5R*,6S*)-6-((S*)-1-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1235","0.0463","","","0.0706","0.0808","","","","","","0.954","","","","has coordinates","235293","2020-10-21","18:00:00",""
"4036827","7.3998","0.0004","14.527","0.0009","13.1607","0.0006","90","","98.039","0.003","90","","1400.83","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(R*)-6-((S*)-1-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3- dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0719","0.0446","","","0.1153","0.1236","","","","","","1.044","","","","has coordinates","235295","2020-10-21","18:00:00",""
"4036828","7.376","0.016","14.89","0.05","27.34","0.07","90.6","0.2","90.06","0.19","91.6","0.2","3001","14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(5R*,6S*)-6-((R*)-1-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C136 H176 N16 O24 -","8","4","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.2036","0.0948","","","0.2255","0.2965","","","","","","1.006","","","","has coordinates","235297","2020-10-21","18:00:00",""
"4036829","19.618","0.011","12.402","0.01","16.883","0.011","90","","93.92","0.03","90","","4098","5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5R*,6R*)-6-(bis(4-methoxyphenyl)methyl)-1,3,5-trimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C176 H208 N16 O40 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.2158","0.0681","","","0.0657","0.0757","","","","","","0.996","","","","has coordinates","235299","2020-10-21","18:00:00",""
"4036830","7.7341","0.0005","10.8737","0.0007","21.0422","0.0013","90","","92.26","0.003","90","","1768.24","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)- 1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1248","0.0503","","","0.0712","0.0823","","","","","","1.021","","","","has coordinates","235301","2020-10-21","18:00:00",""
"4036831","12.085","0.002","9.5194","0.0019","15.284","0.003","90","","97.812","0.007","90","","1742","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R*)-2-fluoro-N-methyl-2-((S*)-3-methyl-2-oxo-5,5- diphenyloxazolidin-4-yl)acetamide","","- C19 H19 F N2 O3 -","- C19 H19 F N2 O3 -","- C76 H76 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0595","0.04","","","0.1113","0.1172","","","","","","1.074","","","","has coordinates","235302","2020-10-21","18:00:00",""
"4036832","15.998","0.003","11.382","0.002","9.0299","0.0011","90","","90","","90","","1644.2","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(5R*,6R*)-6-((R*)-1-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H20 N2 O3 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0748","0.0426","","","0.061","0.065","","","","","","1.026","","","","has coordinates","235304","2020-10-21","18:00:00",""
"4036833","7.647","0.002","16.049","0.005","14.91","0.004","90","","88.69","0.03","90","","1829.4","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoro-N-methyl-2-(3'-methyl-2'-oxo-10,11-dihydrospiro[dibenzo [a,d][7]annulene-5,5'-oxazolidin]-4'-yl)acetamide","","- C21 H21 F N2 O3 -","- C21 H21 F N2 O3 -","- C84 H84 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0671","0.0431","","","0.0959","0.1036","","","","","","1.034","","","","has coordinates","235306","2020-10-21","18:00:00",""
"4036834","14.3115","0.0014","13.1849","0.0011","14.2329","0.0015","90","","39.707","0.003","90","","1715.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R*)-2-fluoro-N-methyl-2-((R*)-3-methyl-2-oxo-5,5-diphenyloxazolidin-4-yl)acetamide","","- C19 H19 F N2 O3 -","- C19 H19 F N2 O3 -","- C76 H76 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1075","0.0422","","","0.0712","0.0794","","","","","","1.01","","","","has coordinates","235307","2020-10-21","18:00:00",""
"4036835","23.225","0.011","7.409","0.003","23.144","0.01","90","","31.787","0.01","90","","2097.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(5R*,6R*)-6-(methoxybis(4-methoxyphenyl)methyl)-1,3,5- trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.161","0.0537","","","0.0702","0.0823","","","","","","0.999","","","","has coordinates","235309","2020-10-21","18:00:00",""
"4036836","23.5","0.006","7.618","0.0019","15.349","0.003","90","","101.27","0.01","90","","2694.8","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(1H-inden-3-yl)-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C15 H16 N2 O2 -","- C15 H16 N2 O2.5 -","- C120 H128 N16 O20 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0947","0.0527","","","0.1419","0.1552","","","","","","1.029","","","","has coordinates","235311","2020-10-21","18:00:00",""
"4036837","10.726","0.003","10.742","0.004","15.068","0.006","87.493","0.013","69.693","0.015","65.249","0.011","1468.1","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(5R*,6S*)-6-(3,4-dihydronaphthalen-1-yl)-5-fluoro-1,3- dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H17 F N2 O2 -","- C16 H17 F N2 O2 -","- C64 H68 F4 N8 O8 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1551","0.0475","","","0.0663","0.0759","","","","","","0.979","","","","has coordinates","235313","2020-10-21","18:00:00",""
"4036838","16.476","0.003","14.05","0.002","19.613","0.004","90","","90","","90","","4540.2","1.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5R*,6S*)-6-(diphenyl((trimethylsilyl)oxy)methyl)-1,3,5- trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C23 H30 N2 O3 Si -","- C23 H30 N2 O3 Si -","- C184 H240 N16 O24 Si8 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1349","0.0592","","","0.0562","0.0641","","","","","","1.007","","","","has coordinates","235314","2020-10-21","18:00:00",""
"4036839","23.813","0.002","10.0379","0.0012","23.641","0.002","90","","19.1869","0.0014","90","","1857.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R*,6R*)-6-(bis(4-fluorophenyl)(hydroxy)methyl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C20 H20 F2 N2 O3 -","- C20 H20 F2 N2 O3 -","- C80 H80 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0952","0.0471","","","0.0963","0.1085","","","","","","0.993","","","","has coordinates","235316","2020-10-21","18:00:00",""
"4036840","8.9757","0.0014","10.4492","0.0012","18.317","0.003","90","","94.339","0.004","90","","1713","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(5,5-bis(4-fluorophenyl)-3-methyl-2-oxooxazolidin-4-yl)-N-methylacetamide","","- C19 H18 F2 N2 O3 -","- C19 H18 F2 N2 O3 -","- C76 H72 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0696","0.0389","","","0.0871","0.0937","","","","","","1.012","","","","has coordinates","235318","2020-10-21","18:00:00",""
"4036841","10.32","0.03","10.32","0.03","18.06","0.05","90","","90","","90","","1923","10","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","1-((3S,4S)-2,2-bis(4-fluorophenyl)-4-methyl-5-oxotetrahydrofuran-3-yl)- 1,3-dimethylurea","","- C20 H20 F2 N2 O3 -","- C20 H20 F2 N2 O3 -","- C80 H80 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1197","0.0502","","","0.0751","0.0838","","","","","","0.998","","","","has coordinates","235320","2020-10-21","18:00:00",""
"4036842","10.7362","0.0016","16.569","0.003","20.68","0.003","90","","90","","90","","3678.7","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R*)-N-methyl-2-((S*)-3-methyl-2-oxo-5,5-diphenyloxazolidin-4-yl)propanamide","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1908","0.0382","","","0.0419","0.0542","","","","","","0.717","","","","has coordinates","235322","2020-10-21","18:00:00",""
"4036843","8.26","0.004","18.897","0.006","12.043","0.005","90","","95.106","0.016","90","","1872.3","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5R*,6S*)-6-(hydroxydiphenylmethyl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1107","0.0678","","","0.1899","0.2089","","","","","","0.993","","","","has coordinates","235323","2020-10-21","18:00:00",""
"4036844","8.1369","0.0008","10.1728","0.001","13.7021","0.0012","84.082","0.004","87.926","0.005","77.438","0.004","1101.03","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1,3-dimethyl-6-(9-((trimethylsilyl)oxy)-9H-xanthen-9-yl)dihydropyrimidine-2,4(1H,3H)-dione","","- C22 H26 N2 O4 Si -","- C22 H26 N2 O4 Si -","- C44 H52 N4 O8 Si2 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0857","0.0451","","","0.0955","0.1031","","","","","","1.023","","","","has coordinates","235324","2020-10-21","18:00:00",""
"4036845","19.517","0.012","8.28","0.005","27.462","0.016","90","","99.85","0.03","90","","4372","5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(5,5-bis(4-methoxyphenyl)-3-methyl-2-oxooxazolidin-4-yl)-N-methylacetamide","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C168 H192 N16 O40 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1466","0.0964","","","0.2723","0.3028","","","","","","1.02","","","","has coordinates","235325","2020-10-21","18:00:00",""
"4036846","11.4069","0.0014","15.9194","0.0016","19.673","0.002","90","","94.737","0.005","90","","3560.2","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-(bis(4-fluorophenyl)(hydroxy)methyl)-1,3-dimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C19 H18 F2 N2 O3 -","- C19 H18 F2 N2 O3 -","- C152 H144 F16 N16 O24 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1622","0.0512","","","0.0733","0.0853","","","","","","1.014","","","","has coordinates","235327","2020-10-21","18:00:00",""
"4036847","8.394","0.003","24.341","0.007","9.028","0.003","90","","84.55","0.03","90","","1836.2","1","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(R*)-2-((S*)-5,5-bis(4-fluorophenyl)-3-methyl-2-oxooxazolidin-4-yl)-2- fluoro-N-methylacetamide","","- C19 H17 F3 N2 O3 -","- C19 H17 F3 N2 O3 -","- C76 H68 F12 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0687","0.0495","","","0.121","0.1295","","","","","","1.059","","","","has coordinates","235329","2020-10-21","18:00:00",""
"4036848","8.674","0.003","13.967","0.007","14.666","0.008","90","","91.24","0.04","90","","1776.4","1.5","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R*,6S*)-5-fluoro-6-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7] annulen-5-yl)-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C21 H21 F N2 O3 -","- C21 H21 F N2 O3 -","- C84 H84 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1198","0.0519","","","0.1117","0.1333","","","","","","0.945","","","","has coordinates","235330","2020-10-21","18:00:00",""
"4036849","11.0598","0.0009","11.3192","0.001","15.686","0.0018","84.975","0.003","79.047","0.004","72.569","0.004","1838.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","N-methyl-2-(3'-methyl-2'-oxospiro[dibenzo[a,d][7]annulene-5,5'-oxazolidin]- 4'-yl)acetamide","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1373","0.0441","","","0.0618","0.07","","","","","","1.011","","","","has coordinates","235332","2020-10-21","18:00:00",""
"4036850","17.993","0.002","8.4777","0.0009","19.7049","0.0018","90","","90","","90","","3005.8","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5R*,6S*)-5-fluoro-6-((S*)-1-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3- dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H19 F N2 O3 -","- C16 H19 F N2 O3 -","- C128 H152 F8 N16 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.084","0.045","","","0.073","0.0797","","","","","","0.997","","","","has coordinates","235333","2020-10-21","18:00:00",""
"4036851","10.753","0.013","6.215","0.007","20.39","0.03","90","","102.38","0.05","90","","1331","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5R*,6S*)-5-fluoro-6-(1H-inden-3-yl)-1,3-dimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C15 H15 F N2 O2 -","- C15 H15 F N2 O2 -","- C60 H60 F4 N8 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0825","0.0427","","","0.0963","0.106","","","","","","1.003","","","","has coordinates","235335","2020-10-21","18:00:00",""
"4036852","7.1916","0.0006","10.6894","0.0008","11.9335","0.0009","74.19","0.001","84.968","0.002","89.976","0.002","879","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 O S -","- C24 H16 O S -","- C48 H32 O2 S2 -","2","1","","Wu, Ya-Nan; Fu, Rong; Wang, Nan-Nan; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Catalytic Sulfur-Enabled Dehydrobicyclization of 1,6-Enynes toward Arylated Indeno[1,2-c]thiophenes.","The Journal of organic chemistry","2016","81","11","4762","4770","10.1021/acs.joc.6b00692","","","0.71073","MoKα","","0.1183","0.0602","","","0.1002","0.1119","","","","","","1.073","","","","has coordinates","235337","2020-10-21","18:00:00",""
"4036853","12.5422","0.0005","15.4562","0.0006","16.4857","0.0006","90","","90","","90","","3195.8","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H21 N O3 -","- C19 H20.5 N O3 -","- C152 H164 N8 O24 -","8","2","","Markad, Shivaji B.; Argade, Narshinha P.","Biomimetic Collective Total Synthesis of Bioactive Carbazole Alkaloids Indizoline, Mafaicheenamine A, Claulamine A, Claulansine A, and the Proposed Claulamine E.","The Journal of organic chemistry","2016","81","12","5222","5227","10.1021/acs.joc.6b00702","","","0.71073","MoKα","","0.1064","0.0863","","","0.2109","0.229","","","","","","1.033","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4036854","9.3985","0.0019","9.9","0.002","10.611","0.002","76.87","0.03","83.63","0.03","74","0.03","923","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Cl2 N O2 S -","- C18 H19 Cl2 N O2 S -","- C36 H38 Cl4 N2 O4 S2 -","2","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0939","0.0452","","","0.0933","0.1064","","","","","","1.013","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036855","6.4043","0.0013","7.3316","0.0015","19.67","0.004","92.49","0.03","92.8","0.03","91.6","0.03","921.2","0.3","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Br N2 O4 S -","- C18 H19 Br N2 O4 S -","- C36 H38 Br2 N4 O8 S2 -","2","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0996","0.0785","","","0.2315","0.2674","","","","","","1.048","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036856","14.265","0.003","13.867","0.003","9.5232","0.0019","90","","90","","90","","1883.8","0.7","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H26 I N O2 S -","- C17 H26 I N O2 S -","- C68 H104 I4 N4 O8 S4 -","4","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.047","0.0394","","","0.0918","0.0974","","","","","","1.081","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036857","12.814","0.003","9.4243","0.0019","14.152","0.003","90","","95.24","0.03","90","","1701.9","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F2 N O2 S -","- C18 H19 F2 N O2 S -","- C72 H76 F8 N4 O8 S4 -","4","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0527","0.0423","","","0.1124","0.1196","","","","","","1.071","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036858","6.903","0.002","8.862","0.003","9.524","0.003","74.756","0.017","84.1","0.02","82.37","0.02","555.7","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C22 H24 Cl2 N2 O6 -","2","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0521","0.049","","","0.1665","0.1737","","","","","","1.072","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036859","10.351","0.003","7.7827","0.0018","11.328","0.003","90","","103.741","0.003","90","","886.5","0.4","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Jarhad, Dnyandev B.; Singh, Vishwakarma","π(4)s + π(2)s Cycloaddition of Spiroepoxycyclohexa-2,4-dienone, Radical Cyclization, and Oxidation-Aldol-Oxidation Cascade: Synthesis of BCDE Ring of Atropurpuran.","The Journal of organic chemistry","2016","81","10","4304","4309","10.1021/acs.joc.6b00728","","","0.7107","MoKα","","","0.0418","","","","0.1222","","","","","","0.678","","","","has coordinates","235343","2020-10-21","18:00:00",""
"4036860","7.675","0.0003","10.0757","0.0004","12.4531","0.0005","87.781","0.003","84.683","0.003","82.145","0.003","949.54","0.07","179.98","0.1","179.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C44 H50 N2 O8 -","2","1","","Kenny, Miles; Kitson, Daniel J.; Franckevičius, Vilius","Catalytic Chemo- and Regioselective Coupling of 1,3-Dicarbonyls with N-Heterocyclic Nucleophiles.","The Journal of organic chemistry","2016","81","12","5162","5172","10.1021/acs.joc.6b00731","","x-ray","1.54184","CuKα","","0.0433","0.0416","","","0.1085","0.1101","","","","","","1.048","","","","has coordinates,has disorder","235345","2020-10-21","18:00:00",""
"4036861","6.752","0.0002","8.3609","0.0002","13.8172","0.0003","85.356","0.002","85.858","0.002","80.981","0.002","766.44","0.03","99.9","0.2","99.9","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Kenny, Miles; Kitson, Daniel J.; Franckevičius, Vilius","Catalytic Chemo- and Regioselective Coupling of 1,3-Dicarbonyls with N-Heterocyclic Nucleophiles.","The Journal of organic chemistry","2016","81","12","5162","5172","10.1021/acs.joc.6b00731","","x-ray","1.54184","CuKα","","0.0343","0.0332","","","0.0853","0.0861","","","","","","1.037","","","","has coordinates","235346","2020-10-21","18:00:00",""
"4036862","17.4991","0.0009","14.1069","0.0006","17.6306","0.0008","90","","90","","90","","4352.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C216 H184 N8 O24 -","8","1","","Miao, Maozhong; Luo, Yi; Li, Hongli; Xu, Xin; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Lewis Acid Catalyzed Regiospecific Cross-Dehydrative Coupling Reaction of 2-Furylcarbinols with β-Keto Amides or 4-Hydroxycoumarins: A Route to Furyl Enols.","The Journal of organic chemistry","2016","81","12","5228","5235","10.1021/acs.joc.6b00734","","","0.71073","MoKα","","0.1038","0.0529","","","0.1239","0.1623","","","","","","1.042","","","","has coordinates","235348","2020-10-21","18:00:00",""
"4036863","10.3383","0.0005","20.1446","0.0009","10.3452","0.0005","90","","111.134","0.002","90","","2009.59","0.17","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 O4 -","- C26 H18 O4 -","- C104 H72 O16 -","4","1","","Miao, Maozhong; Luo, Yi; Li, Hongli; Xu, Xin; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Lewis Acid Catalyzed Regiospecific Cross-Dehydrative Coupling Reaction of 2-Furylcarbinols with β-Keto Amides or 4-Hydroxycoumarins: A Route to Furyl Enols.","The Journal of organic chemistry","2016","81","12","5228","5235","10.1021/acs.joc.6b00734","","","0.71073","MoKα","","0.0933","0.0467","","","0.1082","0.1318","","","","","","1.001","","","","has coordinates","235350","2020-10-21","18:00:00",""
"4036864","10.715","0.002","25.322","0.005","17.325","0.003","90","","98.73","0.03","90","","4646.2","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O2 S2 -","- C27 H21 N O2 S2 -","- C216 H168 N8 O16 S16 -","8","2","","Ziyaei Halimehjani, Azim; Khoshdoun, Maryam","Tandem Esterification/1,4-Addition-Type Friedel-Crafts Alkylation Reactions of Phenols/Naphthols with Olefinic Thioazlactones: Access to Functionalized 1,2-Dihydrobenzo[f]chromen-3-ones and 3,4-Dihydrochromen-2-ones.","The Journal of organic chemistry","2016","81","13","5699","5704","10.1021/acs.joc.6b00740","","","0.71073","MoKα","","0.3016","0.0412","","","0.058","0.1085","","","","","","0.436","","","","has coordinates","235352","2020-10-21","18:00:00",""
"4036865","9.0244","0.0003","9.8981","0.0003","15.4496","0.0005","86.259","0.006","75.911","0.005","80.033","0.006","1317.93","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C68 H66 N2 O4 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0591","0.0542","","","0.1391","0.1431","","","","","","1.047","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036866","14.7141","0.0005","17.5011","0.0006","10.6302","0.0003","90","","97.552","0.007","90","","2713.67","0.16","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C136 H132 N4 O8 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.1026","0.0561","","","0.1027","0.117","","","","","","1.019","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036867","11.4987","0.0002","18.6651","0.0003","9.82023","0.00018","90","","104.667","0.0007","90","","2038.98","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0577","0.0465","","","0.118","0.124","","","","","","1.1","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036868","11.3779","0.0002","12.698","0.0002","15.0931","0.0003","90","","92.272","0.007","90","","2178.89","0.07","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C104 H116 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0429","0.0366","","","0.0881","0.0914","","","","","","1.034","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036869","8.31353","0.00015","15.2799","0.0003","16.3755","0.0003","90","","102.153","0.007","90","","2033.56","0.08","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0432","0.0372","","","0.0898","0.0928","","","","","","1.047","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036870","10.2498","0.0003","11.1701","0.0003","12.3055","0.0003","110.329","0.0008","106.576","0.0008","94.1935","0.0008","1242.75","0.06","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 N2 O5 -","- C29 H28 N2 O5 -","- C58 H56 N4 O10 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0403","0.0362","","","0.0942","0.0971","","","","","","1.074","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036871","10.51957","0.00019","10.61682","0.00019","11.9118","0.0002","72.9557","0.0007","71.8991","0.0007","66.7618","0.0007","1139.57","0.04","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O6 -","- C26 H27 N O6 -","- C52 H54 N2 O12 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0388","0.0351","","","0.0902","0.0946","","","","","","1.093","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036872","9.28844","0.00017","9.16769","0.00017","24.8234","0.0005","90","","99.04","0.007","90","","2087.54","0.08","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0575","0.0527","","","0.133","0.1363","","","","","","1.021","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036873","9.51596","0.00017","10.64683","0.00019","11.5346","0.0002","78.85","0.006","83.687","0.006","71.797","0.005","1087.65","0.05","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C52 H56 N4 O6 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0396","0.0361","","","0.0895","0.0917","","","","","","1.022","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036874","9.58019","0.00017","13.2112","0.0002","19.0309","0.0004","90","","90","","90","","2408.66","0.08","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N3 O -","- C31 H23 N3 O -","- C124 H92 N12 O4 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0306","0.0289","","","0.0701","0.0709","","","","","","1.047","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036875","11.6225","0.0003","13.6984","0.0003","15.3427","0.0004","90","","102.966","0.007","90","","2380.43","0.12","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0846","0.0698","","","0.1581","0.1659","","","","","","1.093","","","","has coordinates,has disorder","235355","2020-10-21","18:00:00",""
"4036876","24.3312","0.0004","9.41875","0.00017","21.1358","0.0004","90","","116.324","0.0007","90","","4341.39","0.14","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C200 H216 N8 O40 -","8","2","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0471","0.0383","","","0.09","0.0943","","","","","","1.063","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036877","22.5932","0.0004","9.89595","0.00019","9.79336","0.00018","90","","90","","90","","2189.61","0.07","123","","123","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C100 H108 N4 O20 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0323","0.0295","","","0.0721","0.0737","","","","","","1.076","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036878","11.3435","0.0003","15.0588","0.0005","20.0689","0.0006","105.66","0.001","100.493","0.001","99.598","0.001","3160.2","0.17","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C111.3 H139.9 N8 O58.5 S4.65 -","- C111.3 H139.9 N8 O58.5 S4.65 -","- C111.3 H139.9 N8 O58.5 S4.65 -","1","1","","Lichosyt, Dawid; Wasiłek, Sylwia; Jurczak, Janusz","Exploring the Chiral Recognition of Carboxylates by C2-Symmetric Receptors Bearing Glucosamine Pendant Arms.","The Journal of organic chemistry","2016","81","17","7342","7348","10.1021/acs.joc.6b00763","","","1.54178","CuKα","","0.0432","0.0417","","","0.1099","0.1114","","","","","","1.041","","","","has coordinates,has disorder","235357","2020-10-21","18:00:00",""
"4036879","14.8093","0.0006","15.1888","0.0008","15.3003","0.0005","112.578","0.004","103.373","0.003","110.69","0.004","2691.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 K2 N2 O17 -","- C52 H58 K2 N2 O17 -","- C104 H116 K4 N4 O34 -","2","1","","Krivec, Marko; Perdih, Franc; Košmrlj, Janez; Kočevar, Marijan","Regioselective Hydrolysis and Transesterification of Dimethyl 3-Benzamidophthalates Assisted by a Neighboring Amide Group.","The Journal of organic chemistry","2016","81","13","5732","5739","10.1021/acs.joc.6b00765","","","0.71073","MoKα","","0.0861","0.0539","","","0.1379","0.1633","","","","","","1.036","","","","has coordinates","235358","2020-10-21","18:00:00",""
"4036880","9.71","0.01","5.98","0.004","24.309","0.015","90","","92.459","0.016","90","","1410.2","1.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 -","- C36 H36 N2 -","- C72 H72 N4 -","2","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C; López, Carlos; Ballester, Pablo; Rotger, Carmen; Costa, Antonio","Macrocyclic Tetraimines: Synthesis and Reversible Uptake of Diethyl Phthalate by a Porous Macrocycle.","The Journal of organic chemistry","2016","81","12","5173","5180","10.1021/acs.joc.6b00768","","","0.7107","MoKα","","0.1611","0.084","","","0.194","0.2341","","","","","","0.849","","","","has coordinates","235359","2020-10-21","18:00:00",""
"4036881","10.9226","0.0008","10.4233","0.0009","20.7193","0.0017","90","","97.876","0.003","90","","2336.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 N4 -","- C60 H60 N4 -","- C120 H120 N8 -","2","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C; López, Carlos; Ballester, Pablo; Rotger, Carmen; Costa, Antonio","Macrocyclic Tetraimines: Synthesis and Reversible Uptake of Diethyl Phthalate by a Porous Macrocycle.","The Journal of organic chemistry","2016","81","12","5173","5180","10.1021/acs.joc.6b00768","","","0.71073","MoKα","","0.1278","0.0674","","","0.1751","0.2043","","","","","","1.052","","","","has coordinates","235360","2020-10-21","18:00:00",""
"4036882","10.7852","0.0003","13.2851","0.0004","28.0787","0.0008","103.104","0.003","90.658","0.002","103.73","0.003","3797.4","0.2","99.9","0.5","99.9","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C12 H21 O5.5 -","- C12 H21 O5.5 -","- C144 H252 O66 -","12","6","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0495","0.0454","","","0.1183","0.1217","","","","","","1","","","","has coordinates,has disorder","235362","2020-10-21","18:00:00",""
"4036883","8.05049","0.00008","11.4387","0.00012","12.60616","0.00016","90","","90","","90","","1160.87","0.02","99.9","0.5","99.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0252","0.024","","","0.061","0.0622","","","","","","1.002","","","","has coordinates","235363","2020-10-21","18:00:00",""
"4036884","16.80683","0.00018","14.18677","0.00016","10.38483","0.00011","90","","90","","90","","2476.1","0.05","99.9","0.5","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H20 O5 -","- C12 H20 O5 -","- C96 H160 O40 -","8","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0318","0.0291","","","0.0739","0.0758","","","","","","1.003","","","","has coordinates","235364","2020-10-21","18:00:00",""
"4036885","9.58732","0.00015","7.56398","0.00014","16.239","0.0004","90","","90","","90","","1177.62","0.04","99.9","0.5","99.9","0.5","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0266","0.0251","","","0.0599","0.061","","","","","","1","","","","has coordinates","235365","2020-10-21","18:00:00",""
"4036886","11.6494","0.0002","10.45558","0.00017","9.88362","0.00018","90","","105.735","0.0019","90","","1158.73","0.04","100.2","0.9","100.2","0.9","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.036","0.032","","","0.0865","0.0894","","","","","","1.001","","","","has coordinates","235366","2020-10-21","18:00:00",""
"4036887","8.1905","0.0003","22.699","0.0008","8.3591","0.0004","90","","108.004","0.005","90","","1478","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","Chen, Kai; Wu, Feng; Ye, Lijuan; Tian, Zi-You; Yu, Zhi-Xiang; Zhu, Shifa","Cycloaddition Reaction of Vinylphenylfurans and Dimethyl Acetylenedicarboxylate to [8 + 2] Isomers via Tandem [4 + 2]/Diradical Alkene-Alkene Coupling/[1,3]-H Shift Reactions: Experimental Exploration and DFT Understanding of Reaction Mechanisms.","The Journal of organic chemistry","2016","81","18","8155","8168","10.1021/acs.joc.6b00792","","","1.54178","CuKα","","0.0477","0.0424","","","0.1335","0.1411","","","","","","1.065","","","","has coordinates","235367","2020-10-21","18:00:00",""
"4036888","7.7687","0.0004","8.5018","0.0005","13.4014","0.0008","78.673","0.005","80.463","0.005","63.227","0.005","771.83","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C36 H36 O12 -","2","1","","Chen, Kai; Wu, Feng; Ye, Lijuan; Tian, Zi-You; Yu, Zhi-Xiang; Zhu, Shifa","Cycloaddition Reaction of Vinylphenylfurans and Dimethyl Acetylenedicarboxylate to [8 + 2] Isomers via Tandem [4 + 2]/Diradical Alkene-Alkene Coupling/[1,3]-H Shift Reactions: Experimental Exploration and DFT Understanding of Reaction Mechanisms.","The Journal of organic chemistry","2016","81","18","8155","8168","10.1021/acs.joc.6b00792","","","1.54178","CuKα","","0.0455","0.0415","","","0.1595","0.1695","","","","","","1.015","","","","has coordinates","235368","2020-10-21","18:00:00",""
"4036889","8.106","0.003","15.762","0.006","16.823","0.007","90","","97.437","0.005","90","","2131.3","1.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 Si -","- C24 H36 Si -","- C96 H144 Si4 -","4","2","","Arii, Hidekazu; Yano, Yuto; Nakabayashi, Kenichi; Yamaguchi, Syuhei; Yamamura, Masaki; Mochida, Kunio; Kawashima, Takayuki","Regioselective and Stereospecific Dehydrogenative Annulation Utilizing Silylium Ion-Activated Alkenes.","The Journal of organic chemistry","2016","81","15","6314","6319","10.1021/acs.joc.6b00793","","","0.71075","MoKα","","0.0653","0.0507","","","0.1137","0.1252","","","","","","1.003","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036890","33.4222","0.0008","38.2066","0.0009","22.4745","0.0006","90","","103.762","0.003","90","","27874.9","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59.27 H53.82 Cl4.36 O4.36 -","- C59.2727 Cl4.36364 O4.36364 -","- C1304 Cl96 O96 -","22","5.5","","Phulwale, Bhimrao Vaijnath; Mishra, Sushil Kumar; Nečas, Marek; Mazal, Ctibor","Phenanthrylene-butadiynylene and Phenanthrylene-thienylene Macrocycles: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2016","81","15","6244","6252","10.1021/acs.joc.6b00814","","","0.71073","MoKα","","0.1758","0.1491","","","0.4316","0.4537","","","","","","1.935","","","","has coordinates,has disorder","235371","2020-10-21","18:00:00",""
"4036891","10.9766","0.0007","6.5881","0.0004","10.9953","0.0008","90","","107.557","0.002","90","","758.09","0.09","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H16 Fe -","- C22 H16 Fe -","- C44 H32 Fe2 -","2","1","","Shibata, Takanori; Uno, Ninna; Sasaki, Tomoya; Kanyiva, Kyalo Stephen","Pt-Catalyzed Enantioselective Cycloisomerization for the Synthesis of Planar-Chiral Ferrocene Derivatives.","The Journal of organic chemistry","2016","81","15","6266","6272","10.1021/acs.joc.6b00825","","","0.71075","MoKα","","0.0328","0.0294","","","0.0827","0.0941","","","","","","1.154","","","","has coordinates","235372","2020-10-21","18:00:00",""
"4036892","7.96672","0.00009","17.5832","0.0002","9.10756","0.00011","90","","90.6275","0.001","90","","1275.71","0.03","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Liu, Yang; Lei, Kang; Liu, Na; Sun, Dong-Wei; Hua, Xue-Wen; Li, Ya-Juan; Xu, Xiao-Hua","Indium-Mediated Intramolecular Reaction of N-(2-Iodobenzoyl)azabenzonorbornadienes: A General Access to Dihydrobenzo[c]phenanthridinones.","The Journal of organic chemistry","2016","81","13","5495","5503","10.1021/acs.joc.6b00839","","x-ray","1.54184","CuKα","","0.0383","0.0374","","","0.1002","0.1011","","","","","","1.081","","","","has coordinates","235374","2020-10-21","18:00:00",""
"4036893","18.476","0.003","10.9715","0.0015","16.715","0.003","90","","105.311","0.002","90","","3268","0.9","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","2","","Wen, Li-Rong; Man, Ning-Ning; Yuan, Wen-Kui; Li, Ming","Direct Construction of 2-Aryliminochromenes from Arynes, N,S-Keteneacetals, and DMF.","The Journal of organic chemistry","2016","81","14","5942","5948","10.1021/acs.joc.6b00843","","","0.71073","MoKα","","0.0706","0.0648","","","0.1514","0.1556","","","","","","1.163","","","","has coordinates","235376","2020-10-21","18:00:00",""
"4036894","11.2588","0.0009","12.7094","0.0011","8.3747","0.0007","90","","109.059","0.001","90","","1132.67","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","14233a","","","- C12 H6 F4 O2 S -","- C12 H6 F4 O2 S -","- C48 H24 F16 O8 S4 -","4","1","","Lemal, David M.","Cycloaddition Chemistry of Tetrafluorothiophene S,S-Dioxide.","The Journal of organic chemistry","2016","81","12","4931","4938","10.1021/acs.joc.6b00848","","","0.71073","MoKα","","0.0412","0.0318","","","0.0767","0.0827","","","","","","1.042","","","","has coordinates","235377","2020-10-21","18:00:00",""
"4036895","7.8097","0.0005","8.4203","0.0005","10.7272","0.0006","98.112","0.004","95.627","0.004","98.351","0.004","685.88","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H5 Br F6 O3 S -","- C10 H5 Br F6 O3 S -","- C20 H10 Br2 F12 O6 S2 -","2","1","","Zhao, Yilong; Zhou, Yuhan; Liu, Juan; Yang, Dongmei; Tao, Liang; Liu, Yang; Dong, Xiaoliang; Liu, Jianhui; Qu, Jingping","Synthesis of (Z)-α-Trifluoromethyl Alkenyl Triflate: A Scaffold for Diverse Trifluoromethylated Species.","The Journal of organic chemistry","2016","81","11","4797","4806","10.1021/acs.joc.6b00855","","","0.71073","MoKα","","0.0523","0.0421","","","0.1277","0.134","","","","","","0.971","","","","has coordinates","235379","2020-10-21","18:00:00",""
"4036896","5.892","0.005","11.809","0.01","20.667","0.018","90","","90","","90","","1438","2","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl F3 -","- C16 H12 Cl F3 -","- C64 H48 Cl4 F12 -","4","1","","Zhao, Yilong; Zhou, Yuhan; Liu, Juan; Yang, Dongmei; Tao, Liang; Liu, Yang; Dong, Xiaoliang; Liu, Jianhui; Qu, Jingping","Synthesis of (Z)-α-Trifluoromethyl Alkenyl Triflate: A Scaffold for Diverse Trifluoromethylated Species.","The Journal of organic chemistry","2016","81","11","4797","4806","10.1021/acs.joc.6b00855","","","0.71073","MoKα","","0.095","0.0549","","","0.1386","0.1527","","","","","","1.002","","","","has coordinates","235379","2020-10-21","18:00:00",""
"4036897","13.8918","0.0016","21.385","0.002","15.38","0.0018","90","","98.78","0.002","90","","4515.5","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H43 B Br2 F2 N2 P2 Pd -","- C49 H43 B Br2 F2 N2 P2 Pd -","- C196 H172 B4 Br8 F8 N8 P8 Pd4 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1469","0.0668","","","0.1162","0.1394","","","","","","1.025","","","","has coordinates","235381","2020-10-21","18:00:00",""
"4036898","18.476","0.004","25.38","0.005","20.823","0.004","90","","107.773","0.002","90","","9298","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C90 H73 B Br4 F2 N2 P4 Pd2 -","- C90 H73 B Br4 F2 N2 P4 Pd2 -","- C360 H292 B4 Br16 F8 N8 P16 Pd8 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1108","0.0482","","","0.0668","0.0723","","","","","","1.085","","","","has coordinates","235382","2020-10-21","18:00:00",""
"4036899","10.6284","0.0009","21.6227","0.0018","9.5074","0.0008","90","","94.685","0.001","90","","2177.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 B Br2 F2 N2 S2 -","- C23 H13 B Br2 F2 N2 S2 -","- C92 H52 B4 Br8 F8 N8 S8 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1245","0.0986","","","0.2783","0.3017","","","","","","1.074","","","","has coordinates","235385","2020-10-21","18:00:00",""
"4036900","8.09","0.0003","9.7183","0.0004","12.1016","0.0004","77.095","0.002","88.672","0.002","80.609","0.002","914.89","0.06","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 B Br2 F2 N2 S -","- C17 H15 B Br2 F2 N2 S -","- C34 H30 B2 Br4 F4 N4 S2 -","2","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.0903","0.0586","","","0.1645","0.1873","","","","","","1.067","","","","has coordinates","235387","2020-10-21","18:00:00",""
"4036901","17.7485","0.0019","10.5042","0.0012","30.002","0.003","90","","99.216","0.002","90","","5521.2","1","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 B Br4 Cl3 F2 N2 P2 Pd -","- C55 H44 B Br4 Cl3 F2 N2 P2 Pd -","- C220 H176 B4 Br16 Cl12 F8 N8 P8 Pd4 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1118","0.0459","","","0.0838","0.103","","","","","","0.982","","","","has coordinates,has disorder","235388","2020-10-21","18:00:00",""
"4036902","10.0689","0.0009","11.1065","0.001","13.8179","0.0013","87.339","0.001","78.759","0.001","80.718","0.001","1495.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H27 B Br2 F2 N2 O2 -","- C32 H27 B Br2 F2 N2 O2 -","- C64 H54 B2 Br4 F4 N4 O4 -","2","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.0744","0.0481","","","0.1259","0.1412","","","","","","0.963","","","","has coordinates","235390","2020-10-21","18:00:00",""
"4036903","10.6689","0.0004","10.9978","0.0005","11.8961","0.0006","81.299","0.002","66.497","0.001","62.702","0.001","1136.62","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H18 N2 O3 -","- C33 H18 N2 O3 -","- C66 H36 N4 O6 -","2","1","","Carneiro, Paula F.; Pinto, Maria do Carmo F R; Marra, Roberta K. F.; Campos, Vinícius R; Resende, Jackson Antônio L C; Delarmelina, Maicon; Carneiro, José Walkimar M; Lima, Emerson S.; da Silva, Fernando de C; Ferreira, Vitor F.","Insight into and Computational Studies of the Selective Synthesis of 6H-Dibenzo[b,h]xanthenes.","The Journal of organic chemistry","2016","81","13","5525","5537","10.1021/acs.joc.6b00864","","x-ray","0.71073","MoKα","","0.0554","0.0386","","","0.0988","0.1088","","","","","","1.043","","","","has coordinates","235392","2020-10-21","18:00:00",""
"4036904","15.6449","0.0002","9.02047","0.00012","23.2833","0.0003","90","","90","","90","","3285.84","0.07","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C152 H160 Br8 N8 O8 -","8","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","0.71073","MoKα","","0.0464","0.0336","","","0.0734","0.078","","","","","","1.053","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036905","7.9989","0.0002","9.6732","0.0002","13.3484","0.0003","90.048","0.002","96.165","0.002","112.241","0.003","949.49","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br N O -","- C21 H24 Br N O -","- C42 H48 Br2 N2 O2 -","2","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","1.54184","CuKα","","0.0376","0.0371","","","0.0947","0.0952","","","","","","1.055","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036906","7.3684","0.0003","9.7503","0.0004","22.0856","0.0009","90","","90","","90","","1586.72","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","0.71073","MoKα","","0.0767","0.0548","","","0.1112","0.1169","","","","","","0.916","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036907","14.954","0.0003","8.16087","0.00011","15.9498","0.0003","90","","112.96","0.002","90","","1792.27","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","1.54184","CuKα","","0.0326","0.0285","","","0.0722","0.0741","","","","","","1.06","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036908","13.3649","0.0019","28.6","0.003","7.4174","0.0011","90","","90","","90","","2835.2","0.7","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H10 Br2 -","- C18 H10 Br2 -","- C144 H80 Br16 -","8","2","","Wang, Jianbo; Yao, Jinzhong; Wang, Hailong; Chen, Hao; Dong, Jingcheng; Zhou, Hongwei","One-Pot Synthesis of Tetraphene and Construction of Expanded Conjugated Aromatics.","The Journal of organic chemistry","2016","81","12","5250","5255","10.1021/acs.joc.6b00890","","","0.71073","MoKα","","0.2003","0.1149","","","0.2679","0.3118","","","","","","1.034","","","","has coordinates","235396","2020-10-21","18:00:00",""
"4036909","11.728","0.009","14.884","0.011","6.523","0.005","90","","105.23","0.04","90","","1098.7","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CG-53","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","García-Iriepa, Cristina; Ernst, Hanna A.; Liang, Yu; Unterreiner, Andreas-Neil; Frutos, Luis Manuel; Sampedro, Diego","Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties.","The Journal of organic chemistry","2016","81","15","6292","6302","10.1021/acs.joc.6b00892","","","0.71073","MoKα","","0.0534","0.0401","","","0.103","0.1127","","","","","","0.892","","","","has coordinates","235399","2020-10-21","18:00:00",""
"4036910","18.598","0.005","7.254","0.005","17.992","0.014","90","","106.78","0.03","90","","2324","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CG-12","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C104 H112 N16 O8 -","8","1","","García-Iriepa, Cristina; Ernst, Hanna A.; Liang, Yu; Unterreiner, Andreas-Neil; Frutos, Luis Manuel; Sampedro, Diego","Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties.","The Journal of organic chemistry","2016","81","15","6292","6302","10.1021/acs.joc.6b00892","","","0.71073","MoKα","","0.0878","0.0505","","","0.1099","0.1253","","","","","","0.998","","","","has coordinates","235400","2020-10-21","18:00:00",""
"4036911","6.1867","0.0003","9.1457","0.0008","11.723","0.001","109.952","0.003","90.003","0.005","99.279","0.004","614.25","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C28 H32 N4 O2 -","2","1","","García-Iriepa, Cristina; Ernst, Hanna A.; Liang, Yu; Unterreiner, Andreas-Neil; Frutos, Luis Manuel; Sampedro, Diego","Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties.","The Journal of organic chemistry","2016","81","15","6292","6302","10.1021/acs.joc.6b00892","","","0.71073","MoKα","","0.062","0.0438","","","0.104","0.1137","","","","","","1.034","","","","has coordinates","235402","2020-10-21","18:00:00",""
"4036912","38.764","0.004","6.8408","0.0007","8.3667","0.0008","90","","91.32","0.002","90","","2218.1","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C88 H120 O24 S4 -","4","1","","Saha, Mrinmoy; Li, Xin; Collett, Nathan D.; Carter, Rich G.","Unified Synthesis of 10-Oxygenated Lycopodium Alkaloids: Impact of C10-Stereochemistry on Reactivity.","The Journal of organic chemistry","2016","81","14","5963","5980","10.1021/acs.joc.6b00900","","","0.71073","MoKα","","0.038","0.0365","","","0.1012","0.1064","","","","","","1.08","","","","has coordinates,has disorder","235404","2020-10-21","18:00:00",""
"4036913","8.4382","0.0013","10.6416","0.0017","23.583","0.004","90","","90","","90","","2117.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C88 H120 O24 S4 -","4","1","","Saha, Mrinmoy; Li, Xin; Collett, Nathan D.; Carter, Rich G.","Unified Synthesis of 10-Oxygenated Lycopodium Alkaloids: Impact of C10-Stereochemistry on Reactivity.","The Journal of organic chemistry","2016","81","14","5963","5980","10.1021/acs.joc.6b00900","","","0.71073","MoKα","","0.0303","0.0288","","","0.0722","0.0732","","","","","","1.04","","","","has coordinates","235405","2020-10-21","18:00:00",""
"4036914","10.1489","0.0016","10.1904","0.0016","14.839","0.002","88.909","0.003","73.752","0.003","66.213","0.002","1340.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl2 I N2 S -","- C27 H25 Cl2 I N2 S -","- C54 H50 Cl4 I2 N4 S2 -","2","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.0927","0.0857","","","0.2751","0.2879","","","","","","1.045","","","","has coordinates","235407","2020-10-21","18:00:00",""
"4036915","23.207","0.004","6.8396","0.0013","13.769","0.003","90","","90","","90","","2185.5","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H18 Cl3 I N2 S -","- C20 H18 Cl3 I N2 S -","- C80 H72 Cl12 I4 N8 S4 -","4","0.5","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.0428","0.0313","","","0.0792","0.0844","","","","","","1.005","","","","has coordinates","235408","2020-10-21","18:00:00",""
"4036916","10.4816","0.0019","10.7583","0.0019","11.772","0.002","76.108","0.003","80.965","0.003","79.204","0.003","1257.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 I N2 O S -","- C27 H25 I N2 O S -","- C54 H50 I2 N4 O2 S2 -","2","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.0719","0.0511","","","0.1559","0.1733","","","","","","1.016","","","","has coordinates","235410","2020-10-21","18:00:00",""
"4036917","13.461","0.003","12.271","0.003","17.054","0.004","90","","100.338","0.004","90","","2771.2","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl2 I N2 S -","- C28 H27 Cl2 I N2 S -","- C112 H108 Cl8 I4 N8 S4 -","4","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.2012","0.0728","","","0.1335","0.1631","","","","","","1.014","","","","has coordinates","235412","2020-10-21","18:00:00",""
"4036918","8.053","0.003","10.199","0.004","12.356","0.005","114.295","0.006","90.071","0.007","109.686","0.006","859.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 I N2 S -","- C19 H17 I N2 S -","- C38 H34 I2 N4 S2 -","2","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.1338","0.1134","","","0.3081","0.3287","","","","","","1.07","","","","has coordinates","235413","2020-10-21","18:00:00",""
"4036919","10.833","0.004","7.555","0.003","24.472","0.009","90","","101.544","0.007","90","","1962.4","1.3","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Br F3 N O3 -","- C21 H17 Br F3 N O3 -","- C84 H68 Br4 F12 N4 O12 -","4","1","","Huan, Feng; Chen, Qing-Yun; Guo, Yong","Visible Light-Induced Photoredox Construction of Trifluoromethylated Quaternary Carbon Centers from Trifluoromethylated Tertiary Bromides.","The Journal of organic chemistry","2016","81","16","7051","7063","10.1021/acs.joc.6b00930","","","0.71073","MoKα","","0.2218","0.0911","","","0.1873","0.2401","","","","","","0.975","","","","has coordinates","235415","2020-10-21","18:00:00",""
"4036920","10.9041","0.0016","10.6234","0.0016","14.133","0.002","90","","90.319","0.003","90","","1637.1","0.4","293","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br F4 N O3 -","- C15 H14 Br F4 N O3 -","- C60 H56 Br4 F16 N4 O12 -","4","1","","Huan, Feng; Chen, Qing-Yun; Guo, Yong","Visible Light-Induced Photoredox Construction of Trifluoromethylated Quaternary Carbon Centers from Trifluoromethylated Tertiary Bromides.","The Journal of organic chemistry","2016","81","16","7051","7063","10.1021/acs.joc.6b00930","","","0.71073","MoKα","","0.0998","0.042","","","0.0941","0.1149","","","","","","0.996","","","","has coordinates","235417","2020-10-21","18:00:00",""
"4036921","10.8811","0.0008","9.6564","0.0007","14.0641","0.0011","90","","97.864","0.001","90","","1463.85","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N2 O3 -","- C35 H36 N2 O3 -","- C70 H72 N4 O6 -","2","1","","Gupta, Riddhi; Gonnade, Rajesh G.; Bedekar, Ashutosh V.","Application of Roof-Shape Amines as Chiral Solvating Agents for Discrimination of Optically Active Acids by NMR Spectroscopy: Study of Match-Mismatch Effect and Crystal Structure of the Diastereomeric Salts.","The Journal of organic chemistry","2016","81","17","7384","7392","10.1021/acs.joc.6b00935","","","0.71073","MoKα","","0.0399","0.0368","","","0.0873","0.0887","","","","","","1.071","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036922","9.7297","0.0014","24.373","0.004","12.012","0.002","90","","92.421","0.007","90","","2846","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 N O3 -","- C33 H33 N O3 -","- C132 H132 N4 O12 -","4","2","","Gupta, Riddhi; Gonnade, Rajesh G.; Bedekar, Ashutosh V.","Application of Roof-Shape Amines as Chiral Solvating Agents for Discrimination of Optically Active Acids by NMR Spectroscopy: Study of Match-Mismatch Effect and Crystal Structure of the Diastereomeric Salts.","The Journal of organic chemistry","2016","81","17","7384","7392","10.1021/acs.joc.6b00935","","","0.71073","MoKα","","0.1501","0.0991","","","0.1307","0.1486","","","","","","1.075","","","","has coordinates","235421","2020-10-21","18:00:00",""
"4036923","8.9513","0.001","4.8424","0.0006","25.886","0.003","90","","102.982","0.01","90","","1093.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 F3 N2 O -","- C10 H11 F3 N2 O -","- C40 H44 F12 N8 O4 -","4","1","","Zhu, Mei; Han, Xin; Fu, Weijun; Wang, Zhiqiang; Ji, Baoming; Hao, Xin-Qi; Song, Mao-Ping; Xu, Chen","Regioselective 2,2,2-Trifluoroethylation of Imidazopyridines by Visible Light Photoredox Catalysis.","The Journal of organic chemistry","2016","81","16","7282","7287","10.1021/acs.joc.6b00950","","","0.71073","MoKα","","0.0776","0.0595","","","0.1396","0.1504","","","","","","1.128","","","","has coordinates","235422","2020-10-21","18:00:00",""
"4036924","6.788","0.0001","13.1767","0.0003","25.9973","0.0005","90","","90","","90","","2325.29","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,3aS,9bR)-diethyl 3-(2-methoxyphenyl)-8-nitro-4-oxo-1,3a,4,9b- tetrahydrochromeno[4,3-b]pyrrole-2,2(3H)-dicarboxylate","","- C24 H24 N2 O9 -","- C24 H24 N2 O9 -","- C96 H96 N8 O36 -","4","1","","Kowalczyk, Dorota; Albrecht, Łukasz","Organocatalytic Doubly Annulative Approach to 3,4-Dihydrocoumarins Bearing a Fused Pyrrolidine Scaffold.","The Journal of organic chemistry","2016","81","15","6800","6807","10.1021/acs.joc.6b00975","","","1.54178","CuKα","","0.0281","0.0281","","","0.0734","0.0734","","","","","","1.095","","","","has coordinates","235424","2020-10-21","18:00:00",""
"4036925","10.5388","0.0004","19.2355","0.0006","13.3088","0.0005","90","","104.093","0.001","90","","2616.74","0.16","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3ha","","","- C29 H22 Cl3 N O3 S -","- C29 H22 Cl3 N O3 S -","- C116 H88 Cl12 N4 O12 S4 -","4","1","","Liu, Hui; Li, Jie; Xiong, Miao; Jiang, Jijun; Wang, Jun","Cp*Co(III)-Catalyzed C-H Alkenylation/Annulation to Afford Spiro Indenyl Benzosultam.","The Journal of organic chemistry","2016","81","14","6093","6099","10.1021/acs.joc.6b00976","","","0.71073","MoKα","","0.0641","0.053","","","0.1336","0.1413","","","","","","1.066","","","","has coordinates","235426","2020-10-21","18:00:00",""
"4036926","8.8896","0.0007","9.8927","0.0007","11.5646","0.0012","94.747","0.004","112.49","0.003","110.443","0.003","852.55","0.13","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C44 H34 N2 O4 S2 -","2","1","","Liu, Hui; Li, Jie; Xiong, Miao; Jiang, Jijun; Wang, Jun","Cp*Co(III)-Catalyzed C-H Alkenylation/Annulation to Afford Spiro Indenyl Benzosultam.","The Journal of organic chemistry","2016","81","14","6093","6099","10.1021/acs.joc.6b00976","","","0.71073","MoKα","","0.0598","0.0522","","","0.1367","0.1424","","","","","","1.046","","","","has coordinates","235426","2020-10-21","18:00:00",""
"4036927","10.1326","0.0006","10.4668","0.0006","21.8586","0.0012","90","","95.792","0.002","90","","2306.4","0.2","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H34 F4 N2 O8 S2 -","- C56 H34 F4 N2 O8 S2 -","- C112 H68 F8 N4 O16 S4 -","2","0.5","","Liu, Hui; Li, Jie; Xiong, Miao; Jiang, Jijun; Wang, Jun","Cp*Co(III)-Catalyzed C-H Alkenylation/Annulation to Afford Spiro Indenyl Benzosultam.","The Journal of organic chemistry","2016","81","14","6093","6099","10.1021/acs.joc.6b00976","","","0.71073","MoKα","","0.0693","0.0479","","","0.1125","0.1221","","","","","","1.058","","","","has coordinates","235426","2020-10-21","18:00:00",""
"4036928","20.165","0.004","7.1874","0.0014","34.207","0.007","90","","104.89","0.03","90","","4791.3","1.8","173.15","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl F3 N2 O5 -","- C24 H26 Cl F3 N2 O5 -","- C192 H208 Cl8 F24 N16 O40 -","8","1","","Niu, Guangle; Liu, Weimin; Zhou, Bingjiang; Xiao, Hongyan; Zhang, Hongyan; Wu, Jiasheng; Ge, Jiechao; Wang, Pengfei","Deep-Red and Near-Infrared Xanthene Dyes for Rapid Live Cell Imaging.","The Journal of organic chemistry","2016","81","17","7393","7399","10.1021/acs.joc.6b00981","","","0.71073","MoKα","","0.084","0.0751","","","0.2019","0.2096","","","","","","1.149","","","","has coordinates,has disorder","235428","2020-10-21","18:00:00",""
"4036929","7.6833","0.0017","16.259","0.004","17.707","0.004","90","","98.538","0.003","90","","2187.5","0.9","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Cl N2 O5 -","- C23 H27 Cl N2 O5 -","- C92 H108 Cl4 N8 O20 -","4","1","","Niu, Guangle; Liu, Weimin; Zhou, Bingjiang; Xiao, Hongyan; Zhang, Hongyan; Wu, Jiasheng; Ge, Jiechao; Wang, Pengfei","Deep-Red and Near-Infrared Xanthene Dyes for Rapid Live Cell Imaging.","The Journal of organic chemistry","2016","81","17","7393","7399","10.1021/acs.joc.6b00981","","","0.71073","MoKα","","0.08","0.072","","","0.1538","0.1585","","","","","","1.212","","","","has coordinates","235430","2020-10-21","18:00:00",""
"4036930","10.211","0.0018","24.559","0.004","25.563","0.005","90","","90","","90","","6410","2","93","","93","","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","H2N-Trp-Trp-(Leu-Leu-Ac5)2-OMe.AcOEt","","- C63 H94 N10 O11 -","- C63 H94 N10 O11 -","- C252 H376 N40 O44 -","4","1","","Ueda, Atsushi; Umeno, Tomohiro; Doi, Mitsunobu; Akagawa, Kengo; Kudo, Kazuaki; Tanaka, Masakazu","Helical-Peptide-Catalyzed Enantioselective Michael Addition Reactions and Their Mechanistic Insights.","The Journal of organic chemistry","2016","81","15","6343","6356","10.1021/acs.joc.6b00982","","","0.71073","MoKα","","0.0894","0.0737","","","0.1602","0.1696","","","","","","1.115","","","","has coordinates","235432","2020-10-21","18:00:00",""
"4036931","15.8893","0.0011","8.6895","0.0006","16.3849","0.0014","90","","102.646","0.008","90","","2207.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N O2 S -","- C25 H22 Cl N O2 S -","- C100 H88 Cl4 N4 O8 S4 -","4","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.122","0.0695","","","0.1147","0.1445","","","","","","1.093","","","","has coordinates","235435","2020-10-21","18:00:00",""
"4036932","16.1636","0.0008","8.3922","0.0002","18.1804","0.0009","90","","116.007","0.006","90","","2216.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Br N O2 S -","- C25 H22 Br N O2 S -","- C100 H88 Br4 N4 O8 S4 -","4","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0761","0.0457","","","0.1035","0.1177","","","","","","1.011","","","","has coordinates","235437","2020-10-21","18:00:00",""
"4036933","8.8934","0.0005","10.6507","0.0005","12.735","0.0007","87.351","0.004","71.155","0.004","71.657","0.003","1081.54","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Br N O2 S -","- C25 H22 Br N O2 S -","- C50 H44 Br2 N2 O4 S2 -","2","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0569","0.0384","","","0.0683","0.0739","","","","","","1.1","","","","has coordinates","235439","2020-10-21","18:00:00",""
"4036934","14.904","0.003","14.88","0.003","21.229","0.004","90","","107.246","0.005","90","","4496.3","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C208 H200 N8 O16 S8 -","8","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0722","0.046","","","0.1335","0.1537","","","","","","0.975","","","","has coordinates","235441","2020-10-21","18:00:00",""
"4036935","10.3833","0.0009","10.4789","0.001","10.8297","0.0009","103.353","0.004","96.832","0.004","90.812","0.005","1137.28","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O2 S -","- C27 H27 N O2 S -","- C54 H54 N2 O4 S2 -","2","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0525","0.0387","","","0.0971","0.1069","","","","","","1.058","","","","has coordinates","235443","2020-10-21","18:00:00",""
"4036936","13.764","0.003","8.3813","0.0018","15.703","0.003","90","","95.075","0.004","90","","1804.4","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C80 H88 N8 O8 S4 -","4","1","","Wang, Ya-Ni; Li, Tian-Ren; Zhang, Mao-Mao; Cheng, Bei-Yi; Lu, Liang-Qiu; Xiao, Wen-Jing","Formal [3 + 2] Cycloadditions via Indole Activation: A Route to Pyrroloindolines and Furoindolines.","The Journal of organic chemistry","2016","81","21","10491","10498","10.1021/acs.joc.6b00991","","","0.71073","MoKα","","0.1292","0.0811","","","0.1757","0.1911","","","","","","1.123","","","","has coordinates,has disorder","235445","2020-10-21","18:00:00",""
"4036937","9.15161","0.00018","9.9023","0.0002","18.6303","0.0004","90","","96.675","0.002","90","","1676.87","0.06","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F3 O3 S -","- C18 H17 F3 O3 S -","- C72 H68 F12 O12 S4 -","4","1","","Rawner, Thomas; Knorn, Matthias; Lutsker, Eugen; Hossain, Asik; Reiser, Oliver","Synthesis of Trifluoromethylated Sultones from Alkenols Using a Copper Photoredox Catalyst.","The Journal of organic chemistry","2016","81","16","7139","7147","10.1021/acs.joc.6b01001","","","1.54184","CuKα","","0.0351","0.0318","","","0.0836","0.0865","","","","","","1.0387","","","","has coordinates,has disorder","235447","2020-10-21","18:00:00",""
"4036938","21.0171","0.0011","8.3446","0.0005","21.3332","0.0012","90","","114.015","0.003","90","","3417.5","0.3","93","0.2","93","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H51 N O8 Se Si -","- C35 H51 N O8 Se Si -","- C140 H204 N4 O32 Se4 Si4 -","4","1","","Tabuchi, Toshiki; Urabe, Daisuke; Inoue, Masayuki","Construction of the Fused Pentacycle of Talatisamine via a Combination of Radical and Cationic Cyclizations.","The Journal of organic chemistry","2016","81","21","10204","10213","10.1021/acs.joc.6b01011","","","1.54178","","","0.0633","0.0482","","","0.1265","0.1381","","","","","","1.021","","","","has coordinates,has disorder","235449","2020-10-21","18:00:00",""
"4036939","9.3706","0.0012","17.767","0.005","8.5579","0.0011","90","","107.183","0.012","90","","1361.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 N4 O Rb -","- C14 H5 N4 O Rb -","- C56 H20 N16 O4 Rb4 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","0.71073","MoKα","","0.0985","0.0449","","","0.0696","0.0802","","","","","","0.974","","","","has coordinates","235451","2020-10-21","18:00:00",""
"4036940","8.2223","0.0004","10.6045","0.0006","17.2234","0.0007","90","","92.545","0.004","90","","1500.29","0.13","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 K N4 O2 -","- C14 H7 K N4 O2 -","- C56 H28 K4 N16 O8 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.095","0.0396","","","0.079","0.0999","","","","","","0.847","","","","has coordinates","235453","2020-10-21","18:00:00",""
"4036941","8.1536","0.0002","10.1851","0.0002","16.6349","0.0005","90","","92.739","0.002","90","","1379.87","0.06","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 N4 Na O2 -","- C14 H7 N4 Na O2 -","- C56 H28 N16 Na4 O8 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.059","0.046","","","0.1347","0.1446","","","","","","1.052","","","","has coordinates","235455","2020-10-21","18:00:00",""
"4036942","9.6659","0.0004","18.418","0.0005","8.3669","0.0003","90","","107.607","0.003","90","","1419.75","0.09","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 Cs N4 O -","- C14 H5 Cs N4 O -","- C56 H20 Cs4 N16 O4 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.0746","0.0617","","","0.1428","0.1481","","","","","","0.952","","","","has coordinates","235456","2020-10-21","18:00:00",""
"4036943","8.7665","0.0003","9.4171","0.0003","9.929","0.0003","63.474","0.003","76.105","0.003","67.301","0.003","674.31","0.04","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H7 Li N4 O2 -","- C14 H7 Li N4 O2 -","- C28 H14 Li2 N8 O4 -","2","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.0964","0.0783","","","0.2068","0.2223","","","","","","0.937","","","","has coordinates","235458","2020-10-21","18:00:00",""
"4036944","21.524","0.012","6.136","0.003","11.931","0.008","90","","92.893","0.019","90","","1573.7","1.6","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 F6 -","- C22 H10 F6 -","- C88 H40 F24 -","4","0.5","","Zhou, Jing; Berthel, Johannes H. J.; Kuntze-Fechner, Maximilian W; Friedrich, Alexandra; Marder, Todd B.; Radius, Udo","NHC Nickel-Catalyzed Suzuki-Miyaura Cross-Coupling Reactions of Aryl Boronate Esters with Perfluorobenzenes.","The Journal of organic chemistry","2016","81","13","5789","5794","10.1021/acs.joc.6b01041","","","0.71073","MoKα","","0.0296","0.0282","","","0.0766","0.0778","","","","","","1.079","","","","has coordinates","235459","2020-10-21","18:00:00",""
"4036945","9.4924","0.0012","13.7707","0.0016","15.835","0.002","107.369","0.011","102.785","0.011","92.675","0.01","1912.4","0.4","220.6","0.1","220.6","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","2","","Jia, Wen-Liang; He, Jian; Yang, Jia-Jing; Gao, Xue-Wang; Liu, Qiang; Wu, Li-Zhu","Homocoupling of 3-Halooxindole via Visible-Light Photocatalysis: A Mild Access to 3,3'-Bioxindoles.","The Journal of organic chemistry","2016","81","16","7172","7181","10.1021/acs.joc.6b01045","","x-ray","0.71073","MoKα","","0.1635","0.0738","","","0.1508","0.215","","","","","","1.039","","","","has coordinates","235461","2020-10-21","18:00:00",""
"4036946","14.4383","0.0004","16.5487","0.0006","31.6999","0.0008","90","","90","","90","","7574.2","0.4","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C352 H384 N32 O32 -","16","0.5","","Jia, Wen-Liang; He, Jian; Yang, Jia-Jing; Gao, Xue-Wang; Liu, Qiang; Wu, Li-Zhu","Homocoupling of 3-Halooxindole via Visible-Light Photocatalysis: A Mild Access to 3,3'-Bioxindoles.","The Journal of organic chemistry","2016","81","16","7172","7181","10.1021/acs.joc.6b01045","","","0.71073","MoKα","","0.0726","0.0535","","","0.1355","0.1488","","","","","","1.107","","","","has coordinates","235463","2020-10-21","18:00:00",""
"4036947","14.537","0.005","10.994","0.005","15.122","0.005","90","0.005","113.089","0.005","90","0.005","2223.2","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br Cl N2 O2 S -","- C24 H20 Br Cl N2 O2 S -","- C96 H80 Br4 Cl4 N8 O8 S4 -","4","1","","Sayyad, Masthanvali; Mal, Abhijit; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","A Synthetic Route to Chiral Tetrahydropyrroloindoles via Ring Opening of Activated Aziridines with 2-Bromoindoles Followed by Copper-Catalyzed C-N Cyclization.","The Journal of organic chemistry","2016","81","15","6424","6432","10.1021/acs.joc.6b01049","","","0.71073","MoKα","","0.084","0.0511","","","0.1116","0.1242","","","","","","1.018","","","","has coordinates","235465","2020-10-21","18:00:00",""
"4036948","32.136","0.002","14.7792","0.0011","7.6234","0.0006","90","","90","","90","","3620.7","0.5","103","2","103","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C200 H144 O16 -","8","2","","Harris, Trevor; Gomes, Gabriel Dos Passos; Clark, Ronald J.; Alabugin, Igor V.","Domino Fragmentations in Traceless Directing Groups of Radical Cascades: Evidence for the Formation of Alkoxy Radicals via C-O Scission.","The Journal of organic chemistry","2016","81","14","6007","6017","10.1021/acs.joc.6b01052","","","0.71073","MoKα","","0.0404","0.0355","","","0.0813","0.0839","","","","","","1.018","","","","has coordinates","235467","2020-10-21","18:00:00",""
"4036949","5.8149","0.0007","7.7454","0.0009","15.5132","0.0013","90","","95.543","0.008","90","","695.43","0.13","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","(2S,3R)-4-nitro-2,3-diphenylbutanal","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Donadío, Lucía Gandolfi; Galetti, Mariana A.; Giorgi, Gianluca; Rasparini, Marcello; Comin, Maria J.","Anti-Selective Organocatalytic Michael Addition between Phenylacetaldehyde and Nitrostyrene.","The Journal of organic chemistry","2016","81","17","7952","7957","10.1021/acs.joc.6b01061","","","0.71073","MoKα","","0.1035","0.0392","","","0.0586","0.0667","","","","","","0.737","","","","has coordinates","235469","2020-10-21","18:00:00",""
"4036950","5.882","0.0003","14.7971","0.0009","17.7539","0.0013","90","","90","","90","","1545.24","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-chloro-3-(2-chlorophenyl)-4-(nitromethyl)chroman-2-ol","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C64 H52 Cl8 N4 O16 -","4","1","","Donadío, Lucía Gandolfi; Galetti, Mariana A.; Giorgi, Gianluca; Rasparini, Marcello; Comin, Maria J.","Anti-Selective Organocatalytic Michael Addition between Phenylacetaldehyde and Nitrostyrene.","The Journal of organic chemistry","2016","81","17","7952","7957","10.1021/acs.joc.6b01061","","","0.71073","MoKα","","0.1247","0.0372","","","0.0456","0.0557","","","","","","0.712","","","","has coordinates","235469","2020-10-21","18:00:00",""
"4036951","14.827","0.0014","10.2711","0.0009","14.4324","0.0013","90","","115.034","0.004","90","","1991.4","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0671","0.0513","","","0.1591","0.1827","","","","","","1.165","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036952","7.9328","0.0003","14.3352","0.0005","16.9365","0.0007","90","","90","","90","","1925.99","0.13","103","2","102.74","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0266","0.0261","","","0.066","0.0663","","","","","","1.073","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036953","32.5617","0.0009","12.2539","0.0003","19.7547","0.0005","90","","98.588","0.002","90","","7793.9","0.4","100","2","99.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C352 H464 N16 O48 -","16","2","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0601","0.0472","","","0.113","0.1206","","","","","","1.03","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036954","16.2407","0.0005","18.9857","0.0006","12.4646","0.0004","90","","90","","90","","3843.3","0.2","101","2","100.94","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0394","0.0351","","","0.0885","0.092","","","","","","1.037","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036955","8.0354","0.0006","13.7812","0.001","18.9887","0.0014","90","","90","","90","","2102.8","0.3","101","2","100.96","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C92 H116 N4 O20 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0287","0.0282","","","0.0708","0.0712","","","","","","1.07","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036956","6.2306","0.0002","15.6867","0.0005","41.3174","0.0013","90","","90","","90","","4038.3","0.2","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C184 H248 N8 O24 -","8","2","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0276","0.0265","","","0.0656","0.0663","","","","","","1.045","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036957","20.7554","0.0007","6.2296","0.0002","17.0708","0.0006","90","","101.719","0.002","90","","2161.21","0.13","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0558","0.0432","","","0.1058","0.1135","","","","","","1.05","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036958","11.7956","0.0004","12.4371","0.0004","16.1837","0.0005","101.858","0.002","99.614","0.001","105.039","0.001","2182.13","0.13","100","2","99.95","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","2","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0498","0.0423","","","0.0984","0.1033","","","","","","1.045","","","","has coordinates,has disorder","235471","2020-10-21","18:00:00",""
"4036959","9.4165","0.0002","10.5253","0.0002","12.954","0.0004","101.378","0.001","101.243","0.001","109.559","0.001","1137.7","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 I N O5 S2 -","- C22 H24 I N O5 S2 -","- C44 H48 I2 N2 O10 S4 -","2","1","","Romero, R Martín; Souto, José A; Muñiz, Kilian","Substitution Effects of Hypervalent Iodine(III) Reagents in the Diamination of Styrene.","The Journal of organic chemistry","2016","81","14","6118","6122","10.1021/acs.joc.6b01070","","","0.71073","MoKα","","0.0244","0.0231","","","0.0678","0.0685","","","","","","1.14","","","","has coordinates","235474","2020-10-21","18:00:00",""
"4036960","12.6692","0.0011","12.6854","0.0012","15.731","0.002","106.514","0.007","107.072","0.007","100.27","0.005","2220.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H29 F6 I2 N2 O9 S4 -","- C42 H29 F6 I2 N2 O9 S4 -","- C84 H58 F12 I4 N4 O18 S8 -","2","1","","Romero, R Martín; Souto, José A; Muñiz, Kilian","Substitution Effects of Hypervalent Iodine(III) Reagents in the Diamination of Styrene.","The Journal of organic chemistry","2016","81","14","6118","6122","10.1021/acs.joc.6b01070","","","0.71073","MoKα","","0.0889","0.0685","","","0.1583","0.1818","","","","","","1.103","","","","has coordinates","235475","2020-10-21","18:00:00",""
"4036961","11.0134","0.0004","14.8591","0.0005","31.472","0.001","90","","90","","90","","5150.4","0.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C48 H50 I2 N2 O15 S4 -","- C48 H50 I2 N2 O15 S4 -","- C192 H200 I8 N8 O60 S16 -","4","0.5","","Romero, R Martín; Souto, José A; Muñiz, Kilian","Substitution Effects of Hypervalent Iodine(III) Reagents in the Diamination of Styrene.","The Journal of organic chemistry","2016","81","14","6118","6122","10.1021/acs.joc.6b01070","","","0.71073","MoKα","","0.0306","0.0297","","","0.0852","0.093","","","","","","1.252","","","","has coordinates","235477","2020-10-21","18:00:00",""
"4036962","9.8222","0.001","8.1367","0.0009","42.794","0.005","90","","95.322","0.003","90","","3405.4","0.6","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl (Z)-3-phenyl-2-(phenylthio)-3-(vinyloxy)acrylate","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C152 H144 O24 S8 -","8","2","","Klose, Immo; Misale, Antonio; Maulide, Nuno","Synthesis and Photocatalytic Reactivity of Vinylsulfonium Ylides.","The Journal of organic chemistry","2016","81","16","7201","7210","10.1021/acs.joc.6b01073","","","0.71073","MoKα","","0.0909","0.0523","","","0.105","0.1205","","","","","","1.026","","","","has coordinates","235478","2020-10-21","18:00:00",""
"4036963","15.6683","0.0004","5.6868","0.0001","25.2204","0.0006","90","","99.612","0.001","90","","2215.65","0.09","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C104 H144 O16 -","8","1","","Reckenthäler, Melissa; Neudörfl, Jörg-M; Zorlu, Elif; Griesbeck, Axel G.","Combined Photoredox and Lewis Acid Catalyzed α-Hydroxyalkylation of Cyclic Ethers with Aromatic Ketones.","The Journal of organic chemistry","2016","81","16","7211","7216","10.1021/acs.joc.6b01085","","","1.54178","CuKα","","0.037","0.035","","","0.0968","0.11","","","","","","1.126","","","","has coordinates","235481","2020-10-21","18:00:00",""
"4036964","5.8141","0.0007","24.09","0.003","8.659","0.0014","90","","108.437","0.01","90","","1150.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Reckenthäler, Melissa; Neudörfl, Jörg-M; Zorlu, Elif; Griesbeck, Axel G.","Combined Photoredox and Lewis Acid Catalyzed α-Hydroxyalkylation of Cyclic Ethers with Aromatic Ketones.","The Journal of organic chemistry","2016","81","16","7211","7216","10.1021/acs.joc.6b01085","","","1.54178","CuKα","","0.0406","0.0401","","","0.103","0.1034","","","","","","1.107","","","","has coordinates","235482","2020-10-21","18:00:00",""
"4036965","12.1871","0.0004","8.1671","0.0003","11.3491","0.0004","90","","100.172","0.001","90","","1111.86","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Reckenthäler, Melissa; Neudörfl, Jörg-M; Zorlu, Elif; Griesbeck, Axel G.","Combined Photoredox and Lewis Acid Catalyzed α-Hydroxyalkylation of Cyclic Ethers with Aromatic Ketones.","The Journal of organic chemistry","2016","81","16","7211","7216","10.1021/acs.joc.6b01085","","","1.54178","CuKα","","0.0404","0.0387","","","0.1075","0.1091","","","","","","1.076","","","","has coordinates","235484","2020-10-21","18:00:00",""
"4036966","13.3763","0.0007","9.9725","0.0005","14.0504","0.0007","90","","96.255","0.004","90","","1863.1","0.16","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-benzyl-8-chloro-12,13-dihydro-4bH-isoquinolino[2,1-a]quinazolin-6(5H)-one","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","1","","Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde","Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.","The Journal of organic chemistry","2016","81","15","6463","6471","10.1021/acs.joc.6b01096","","","1.54184","CuKα","","0.0636","0.0457","","","0.1189","0.1395","","","","","","1.082","","","","has coordinates","235486","2020-10-21","18:00:00",""
"4036967","10.3261","0.0008","15.0211","0.0008","16.2026","0.0009","90","","90","","90","","2513.2","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 N4 O2 -","- C32 H26 N4 O2 -","- C128 H104 N16 O8 -","4","1","","Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde","Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.","The Journal of organic chemistry","2016","81","15","6463","6471","10.1021/acs.joc.6b01096","","","1.54184","CuKα","","0.1106","0.0668","","","0.1464","0.1876","","","","","","1.0263","","","","has coordinates","235488","2020-10-21","18:00:00",""
"4036968","7.941","0.0004","11.929","0.0005","13.9233","0.0007","90","","90","","90","","1318.93","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","","Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde","Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.","The Journal of organic chemistry","2016","81","15","6463","6471","10.1021/acs.joc.6b01096","","","1.54184","CuKα","","0.0627","0.0609","","","0.1603","0.1628","","","","","","1.061","","","","has coordinates","235489","2020-10-21","18:00:00",""
"4036969","8.2","0.004","6.899","0.004","12.679","0.008","90","","102.281","0.006","90","","700.9","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(5-diazonium-1,2,3-triazolat-4-yl)-1H-tetrazole hydrate","","- C3 H3 N9 O -","- C3 H3 N9 O -","- C12 H12 N36 O4 -","4","1","","Klapötke, Thomas M; Krumm, Burkhard; Pflüger, Carolin","Isolation of a Moderately Stable but Sensitive Zwitterionic Diazonium Tetrazolyl-1,2,3-triazolate.","The Journal of organic chemistry","2016","81","14","6123","6127","10.1021/acs.joc.6b01098","","","0.71069","MoKα","","0.0545","0.04","","","0.0979","0.1074","","","","","","1.067","","","","has coordinates","235491","2020-10-21","18:00:00",""
"4036970","19.6918","0.0001","19.6918","0.0001","19.3835","0.0002","90","","90","","90","","7516.28","0.09","100","0.1","100","0.1","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46.25 H48 O6.5 -","- C46.25 H48 O6.5 -","- C370 H384 O52 -","8","1","","Stefańska, Karolina; Jędrzejewska, Hanna; Wierzbicki, Michał; Szumna, Agnieszka; Iwanek, Waldemar","The Inverse Demand Oxa-Diels-Alder Reaction of Resorcinarenes: An Experimental and Theoretical Analysis of Regioselectivity and Diastereoselectivity.","The Journal of organic chemistry","2016","81","14","6018","6025","10.1021/acs.joc.6b01099","","","1.54184","CuKα","","0.0693","0.0618","","","0.1915","0.2012","","","","","","0.871","","","","has coordinates,has disorder","235492","2020-10-21","18:00:00",""
"4036971","14.2464","0.0004","15.6824","0.0006","21.1893","0.0006","77.808","0.003","89.936","0.002","68.049","0.003","4276","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C98 H104 O8 -","- C98 H104 O8 -","- C196 H208 O16 -","2","1","","Stefańska, Karolina; Jędrzejewska, Hanna; Wierzbicki, Michał; Szumna, Agnieszka; Iwanek, Waldemar","The Inverse Demand Oxa-Diels-Alder Reaction of Resorcinarenes: An Experimental and Theoretical Analysis of Regioselectivity and Diastereoselectivity.","The Journal of organic chemistry","2016","81","14","6018","6025","10.1021/acs.joc.6b01099","","","1.54184","CuKα","","0.0707","0.0616","","","0.1716","0.1766","","","","","","1.049","","","","has coordinates,has disorder","235494","2020-10-21","18:00:00",""
"4036972","30.1898","0.0004","6.3221","0.0001","21.9555","0.0003","90","","115.323","0.001","90","","3787.83","0.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","eag219.1","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C160 H216 N8 O32 -","8","1","","Arpa, Enrique M.; González-Esguevillas, María; Pascual-Escudero, Ana; Adrio, Javier; Carretero, Juan C.","Catalytic Asymmetric Synthesis of Bicycloprolines by a 1,3-Dipolar Cycloaddition/Intramolecular Alkylation Strategy.","The Journal of organic chemistry","2016","81","14","6128","6135","10.1021/acs.joc.6b01100","","","0.71073","","","0.0635","0.0432","","","0.1208","0.1463","","","","","","1.074","","","","has coordinates","235496","2020-10-21","18:00:00",""
"4036973","9.9626","0.0002","14.5776","0.0004","17.0821","0.0004","90","","90","","90","","2480.85","0.1","150","","150","","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C12 H16 I N O -","- C12 H16 I N O -","- C96 H128 I8 N8 O8 -","8","2","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher Paul, Ai M.; Roberts, M.; Thomson, James E.","Asymmetric Syntheses of (-)-ADMJ and (+)-ADANJ: 2-Deoxy-2-amino Analogues of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin.","The Journal of organic chemistry","2016","81","15","6481","6495","10.1021/acs.joc.6b01107","","","0.71073","MoKα","","0.0379","0.0291","","0.0618","0.0585","0.0618","","","","","","1.0031","","","","has coordinates","235498","2020-10-21","18:00:00",""
"4036974","20.4099","0.0004","5.74096","0.00012","16.7887","0.0004","90","","106.159","0.002","90","","1889.46","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C80 H88 N8 O16 S4 -","4","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher Paul, Ai M.; Roberts, M.; Thomson, James E.","Asymmetric Syntheses of (-)-ADMJ and (+)-ADANJ: 2-Deoxy-2-amino Analogues of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin.","The Journal of organic chemistry","2016","81","15","6481","6495","10.1021/acs.joc.6b01107","","","1.54184","CuKα","","0.0431","0.037","","0.0974","0.0918","0.0972","","","","","","0.9959","","","","has coordinates","235498","2020-10-21","18:00:00",""
"4036975","14.6607","0.0002","15.61716","0.00019","31.711","0.0004","90","","90","","90","","7260.5","0.16","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 N2 O5 S Si -","- C36 H52 N2 O5 S Si -","- C288 H416 N16 O40 S8 Si8 -","8","2","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher Paul, Ai M.; Roberts, M.; Thomson, James E.","Asymmetric Syntheses of (-)-ADMJ and (+)-ADANJ: 2-Deoxy-2-amino Analogues of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin.","The Journal of organic chemistry","2016","81","15","6481","6495","10.1021/acs.joc.6b01107","","","1.5418","CuKα","","0.0367","0.0351","","0.0916","0.09","0.0916","","","","","","1.0003","","","","has coordinates","235498","2020-10-21","18:00:00",""
"4036976","12.096","0.0009","11.34","0.0008","7.9095","0.0006","90","","92.061","0.002","90","","1084.23","0.14","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3Z)-4-[(4-iodo-2-methylphenyl)amino]but-3-en-2-one","","- C11 H12 I N O -","- C11 H12 I N O -","- C44 H48 I4 N4 O4 -","4","1","","Chisholm, David R.; Valentine, Roy; Pohl, Ehmke; Whiting, Andrew","Conjugate Addition of 3-Buytn-2-one to Anilines in Ethanol: Alkene Geometric Insights through In Situ FTIR Monitoring.","The Journal of organic chemistry","2016","81","17","7557","7565","10.1021/acs.joc.6b01110","","x-ray","0.71073","MoKα","","0.0805","0.0731","","","0.1795","0.1865","","","","","","1.073","","","","has coordinates","235500","2020-10-21","18:00:00",""
"4036977","15.2021","0.0011","5.4894","0.0004","15.9041","0.0012","90","","113.345","0.001","90","","1218.55","0.16","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{[(1Z)-3-Oxobut-1-en-1-yl]amino}benzoate","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Chisholm, David R.; Valentine, Roy; Pohl, Ehmke; Whiting, Andrew","Conjugate Addition of 3-Buytn-2-one to Anilines in Ethanol: Alkene Geometric Insights through In Situ FTIR Monitoring.","The Journal of organic chemistry","2016","81","17","7557","7565","10.1021/acs.joc.6b01110","","x-ray","1.54178","CuKα","","0.0402","0.0399","","","0.1058","0.1062","","","","","","1.038","","","","has coordinates","235502","2020-10-21","18:00:00",""
"4036978","7.4228","0.0019","11.744","0.003","21.248","0.005","90","","90","","90","","1852.3","0.8","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N5 O6 -","- C18.001 H21 N5 O6 -","- C72.004 H84 N20 O24 -","4","1","","García-Arriaga, Marilyn; Hobley, Gerard; Rivera, José M","Structural Studies of Supramolecular G-Quadruplexes Formed from 8-Aryl-2'-deoxyguanosine Derivatives.","The Journal of organic chemistry","2016","81","14","6026","6035","10.1021/acs.joc.6b01113","","","0.71073","MoKα","","0.1814","0.0915","","","0.122","0.1398","","","","","","1.163","","","","has coordinates,has disorder","235504","2020-10-21","18:00:00",""
"4036979","14.2186","0.0009","18.7376","0.0012","19.3927","0.0012","104.395","0.002","91.811","0.002","92.565","0.002","4994.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H62 N10 O10 -","- C82 H62 N10 O10 -","- C164 H124 N20 O20 -","2","1","","Zhang, Rui-Feng; Hu, Wen-Jing; Liu, Yahu A.; Zhao, Xiao-Li; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","A Shape-Persistent Cryptand for Capturing Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2016","81","13","5649","5654","10.1021/acs.joc.6b01115","","","0.71073","MoKα","","0.1846","0.1137","","","0.3174","0.3533","","","","","","0.978","","","","has coordinates","235506","2020-10-21","18:00:00",""
"4036980","14.259","0.003","18.033","0.003","20.014","0.004","65.263","0.003","87.57","0.003","73.367","0.003","4460.7","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H60 Cl6 N10 O10 -","- C73 H60 Cl6 N10 O10 -","- C146 H120 Cl12 N20 O20 -","2","1","","Zhang, Rui-Feng; Hu, Wen-Jing; Liu, Yahu A.; Zhao, Xiao-Li; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","A Shape-Persistent Cryptand for Capturing Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2016","81","13","5649","5654","10.1021/acs.joc.6b01115","","","0.71073","MoKα","","0.2215","0.1377","","","0.3548","0.405","","","","","","1.133","","","","has coordinates","235508","2020-10-21","18:00:00",""
"4036981","10.4424","0.0009","21.6082","0.0016","9.1581","0.0009","90","","109.547","0.004","90","","1947.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F N3 O3 S -","- C20 H22 F N3 O3 S -","- C80 H88 F4 N12 O12 S4 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0482","0.0412","","","0.1017","0.1054","","","","","","1.074","","","","has coordinates","235510","2020-10-21","18:00:00",""
"4036982","9.5212","0.0003","45.993","0.0011","10.9044","0.0004","90","","112.281","0.004","90","","4418.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C216 H192 N24 O24 -","12","3","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.7107","MoKα","","0.0799","0.0667","","","0.1649","0.1697","","","","","","1.203","","","","has coordinates","235512","2020-10-21","18:00:00",""
"4036983","7.3361","0.0004","12.4151","0.0007","12.693","0.0007","104.52","0.002","93.01","0.002","98.217","0.002","1102.93","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cl2 N3 O4 S -","- C21 H25 Cl2 N3 O4 S -","- C42 H50 Cl4 N6 O8 S2 -","2","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0693","0.0597","","","0.1749","0.1842","","","","","","1.037","","","","has coordinates","235514","2020-10-21","18:00:00",""
"4036984","8.2348","0.0009","16.2497","0.0018","18.833","0.002","90","","90","","90","","2520.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F3 N3 O7 S -","- C22 H26 F3 N3 O7 S -","- C88 H104 F12 N12 O28 S4 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0637","0.0437","","","0.1001","0.1082","","","","","","1.055","","","","has coordinates,has disorder","235516","2020-10-21","18:00:00",""
"4036985","16.845","0.002","10.5896","0.0013","16.493","0.002","90","","102.939","0.005","90","","2867.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 I N3 O5.5 S2 -","- C28 H30 I N3 O5.5 S2 -","- C112 H120 I4 N12 O22 S8 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0753","0.0462","","","0.1088","0.1229","","","","","","1.025","","","","has coordinates,has disorder","235518","2020-10-21","18:00:00",""
"4036986","9.2918","0.0005","20.7021","0.001","16.4894","0.0008","90","","98.469","0.002","90","","3137.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl2 I2 N3 O5 S2 -","- C27 H27 Cl2 I2 N3 O5 S2 -","- C108 H108 Cl8 I8 N12 O20 S8 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0682","0.0424","","","0.0929","0.1037","","","","","","1.058","","","","has coordinates,has disorder","235519","2020-10-21","18:00:00",""
"4036987","6.4015","0.0005","14.5239","0.0011","15.7276","0.0013","90","","93.4818","0.0015","90","","1459.6","0.2","191","2","191.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl N3 O -","- C17 H14 Cl N3 O -","- C68 H56 Cl4 N12 O4 -","4","1","","Zhang, Qian; Yu, Mangfei; Yuan, Jingwen; Zhang, Rui; Liang, Yongjiu; Tian, Jiamei; Dong, Dewen","Formal [4 + 1] Annulation of α-Arylhydrazonoketones and Dimethylsulfoxonium Methylide: One-pot Synthesis of Substituted Pyrazoles and Dihydropyrazoles.","The Journal of organic chemistry","2016","81","14","6036","6041","10.1021/acs.joc.6b01127","","x-ray","0.71","MoKα","","0.0858","0.0567","","","0.1142","0.1279","","","","","","1.053","","","","has coordinates","235520","2020-10-21","18:00:00",""
"4036988","18.9453","0.0019","6.9618","0.0007","20.894","0.003","90","","90","","90","","2755.8","0.6","293","2","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N3 -","- C18 H11 N3 -","- C144 H88 N24 -","8","1","","Mishra, Aniket; Vats, Tripta Kumari; Deb, Indubhusan","Ruthenium-Catalyzed Direct and Selective C-H Cyanation of N-(Hetero)aryl-7-azaindoles.","The Journal of organic chemistry","2016","81","15","6525","6534","10.1021/acs.joc.6b01148","","","0.71073","MoKα","","0.1657","0.0547","","","0.1316","0.1993","","","","","","0.92","","","","has coordinates","235522","2020-10-21","18:00:00",""
"4036989","8.3659","0.0017","11.415","0.002","12.415","0.003","110.78","0.03","90.62","0.03","106.74","0.03","1053","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C54 H42 N2 O4 -","2","1","","Wan, Jie-Ping; Jing, Yanfeng; Hu, Changfeng; Sheng, Shouri","Metal-Free Synthesis of Fully Substituted Pyridines via Ring Construction Based on the Domino Reactions of Enaminones and Aldehydes.","The Journal of organic chemistry","2016","81","15","6826","6831","10.1021/acs.joc.6b01149","","","0.71073","MoKα","","0.0796","0.0466","","","0.1205","0.1667","","","","","","1.14","","","","has coordinates","235523","2020-10-21","18:00:00",""
"4036990","5.3511","0.0009","22.84","0.004","23.657","0.004","66.346","0.002","83.962","0.002","89.04","0.002","2632.7","0.8","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H68 N4 O5 -","- C65 H68 N4 O5 -","- C130 H136 N8 O10 -","2","1","","Ikeda, Toshiaki; Iijima, Tatsuya; Sekiya, Ryo; Takahashi, Osamu; Haino, Takeharu","Cooperative Self-Assembly of Carbazole Derivatives Driven by Multiple Dipole-Dipole Interactions.","The Journal of organic chemistry","2016","81","15","6832","6837","10.1021/acs.joc.6b01169","","","0.71073","MoKα","","0.1293","0.0623","","","0.1544","0.1791","","","","","","1.061","","","","has coordinates,has disorder","235525","2020-10-21","18:00:00",""
"4036991","19.9936","0.0016","7.5823","0.0006","20.3944","0.0018","90","","91.36","0.002","90","","3090.9","0.4","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F3 N O4 S3 -","- C13 H10 F3 N O4 S3 -","- C104 H80 F24 N8 O32 S24 -","8","2","","Zhang, Panpan; Li, Man; Xue, Xiao-Song; Xu, Chunfa; Zhao, Qunchao; Liu, Yafei; Wang, Haoyang; Guo, Yinlong; Lu, Long; Shen, Qilong","N-Trifluoromethylthio-dibenzenesulfonimide: A Shelf-Stable, Broadly Applicable Electrophilic Trifluoromethylthiolating Reagent.","The Journal of organic chemistry","2016","81","17","7486","7509","10.1021/acs.joc.6b01178","","","0.71073","MoKα","","0.0892","0.0469","","","0.0934","0.1092","","","","","","1.012","","","","has coordinates","235526","2020-10-21","18:00:00",""
"4036992","10.8737","0.0008","11.5374","0.0007","12.6318","0.0009","90","","91.379","0.007","90","","1584.25","0.19","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Schröder, Peter; Bauer, Jonathan O.; Strohmann, Carsten; Kumar, Kamal; Waldmann, Herbert","Synthesis of an Iridoid-Inspired Compound Collection and Discovery of Autophagy Inhibitors.","The Journal of organic chemistry","2016","81","21","10242","10255","10.1021/acs.joc.6b01185","","","0.71073","MoKα","","0.06","0.0379","","","0.0715","0.0739","","","","","","1.004","","","","has coordinates","235528","2020-10-21","18:00:00",""
"4036993","6.6638","0.0003","6.7128","0.0004","23.7243","0.0011","83.956","0.004","87.265","0.004","61.768","0.005","929.81","0.09","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cl2 F O5 -","- C21 H17 Cl2 F O5 -","- C42 H34 Cl4 F2 O10 -","2","1","","Schröder, Peter; Bauer, Jonathan O.; Strohmann, Carsten; Kumar, Kamal; Waldmann, Herbert","Synthesis of an Iridoid-Inspired Compound Collection and Discovery of Autophagy Inhibitors.","The Journal of organic chemistry","2016","81","21","10242","10255","10.1021/acs.joc.6b01185","","","0.71073","MoKα","","0.0458","0.0405","","","0.1044","0.1077","","","","","","1.087","","","","has coordinates","235530","2020-10-21","18:00:00",""
"4036994","8.8789","0.0005","11.4732","0.0007","12.3178","0.0007","90","","90.436","0.005","90","","1254.77","0.13","173","2","173.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","1","","Schröder, Peter; Bauer, Jonathan O.; Strohmann, Carsten; Kumar, Kamal; Waldmann, Herbert","Synthesis of an Iridoid-Inspired Compound Collection and Discovery of Autophagy Inhibitors.","The Journal of organic chemistry","2016","81","21","10242","10255","10.1021/acs.joc.6b01185","","","0.71073","MoKα","","0.0594","0.0389","","","0.093","0.0968","","","","","","1.007","","","","has coordinates","235532","2020-10-21","18:00:00",""
"4036995","5.7496","0.0005","14.9245","0.0015","15.4463","0.0015","99.866","0.009","93.978","0.008","96.051","0.008","1293.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H15 N -","- C17 H15 N -","- C68 H60 N4 -","4","2","","Saunthwal, Rakesh K.; Patel, Monika; Verma, Akhilesh K.","Regioselective Synthesis of C-3-Functionalized Quinolines via Hetero-Diels-Alder Cycloaddition of Azadienes with Terminal Alkynes.","The Journal of organic chemistry","2016","81","15","6563","6572","10.1021/acs.joc.6b01186","","","0.71073","MoKα","","0.1587","0.0805","","","0.1942","0.2319","","","","","","1.029","","","","has coordinates","235533","2020-10-21","18:00:00",""
"4036996","8.517","0.005","6.258","0.003","18.063","0.009","90","","102.457","0.006","90","","940.1","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 O2 P S -","- C17 H27 O2 P S -","- C34 H54 O4 P2 S2 -","2","1","","Wang, Wei-Min; Liu, Li-Juan; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Zhao, Chang-Qiu; Xu, Qing; Han, Li-Biao","Stereospecific Preparations of P-Stereogenic Phosphonothioates and Phosphonoselenoates.","The Journal of organic chemistry","2016","81","15","6843","6847","10.1021/acs.joc.6b01192","","","0.71073","MoKα","","0.0774","0.0536","","","0.1095","0.1229","","","","","","1.068","","","","has coordinates","235535","2020-10-21","18:00:00",""
"4036997","8.7872","0.0005","18.8893","0.0011","26.3974","0.0015","90","","90","","90","","4381.5","0.4","291.98","0.1","291.98","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl2 N Rh -","- C24 H26 Cl2 N Rh -","- C192 H208 Cl16 N8 Rh8 -","8","1","","Huang, Qiufeng; Han, Qingshuai; Fu, Shurong; Yao, Zizhu; Su, Lv; Zhang, Xiaofeng; Lin, Shen; Xiang, Shengchang","Rhodium-Catalyzed NH-Indole-Directed C-H Carbonylation with Carbon Monoxide: Synthesis of 6H-Isoindolo[2,1-a]indol-6-ones.","The Journal of organic chemistry","2016","81","24","12135","12142","10.1021/acs.joc.6b01200","","x-ray","1.54184","CuKα","","0.15","0.061","","","0.0822","0.1098","","","","","","1.016","","","","has coordinates","235537","2020-10-21","18:00:00",""
"4036998","21.1977","0.0011","8.1725","0.0004","18.3385","0.0008","90","","116.146","0.002","90","","2851.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 I N2 O -","- C17 H11 I N2 O -","- C136 H88 I8 N16 O8 -","8","1","","Giardinetti, Maxime; Marrot, Jérôme; Moreau, Xavier; Coeffard, Vincent; Greck, Christine","Asymmetric Synthesis of Fused Polycyclic Indazoles through Aminocatalyzed Aza-Michael Addition/Intramolecular Cyclization.","The Journal of organic chemistry","2016","81","15","6855","6861","10.1021/acs.joc.6b01201","","","0.71073","MoKα","","0.0409","0.0352","","","0.0903","0.1039","","","","","","1.203","","","","has coordinates","235538","2020-10-21","18:00:00",""
"4036999","25.615","0.003","9.9269","0.0012","24.134","0.003","90","","91.404","0.002","90","","6134.9","1.3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 I2 -","- C18 H16 I2 -","- C288 H256 I32 -","16","2","","Herres, Joseph P.; Moran, Caitlin A.; Forman, Mark A.; Hall, James E.; McCauley, Jr, John P; Pivonka, Don E.; Wesolowski, Steven S.","Structures and Rotational Barriers of a Diiodobinorsnoutane: Energetic Preference for Gauche Conformation.","The Journal of organic chemistry","2016","81","15","6862","6866","10.1021/acs.joc.6b01204","","","0.71073","MoKα","","0.0382","0.0319","","","0.078","0.0817","","","","","","1.015","","","","has coordinates","235540","2020-10-21","18:00:00",""
"4037000","14.0381","0.0011","14.1845","0.0011","14.876","0.0012","80.151","0.005","62.153","0.005","63.603","0.004","2343.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 B2 N4 O2 -","- C56 H58 B2 N4 O2 -","- C112 H116 B4 N8 O4 -","2","1","","Tasior, Mariusz; Gryko, Daniel T.","Synthesis and Properties of Ladder-Type BN-Heteroacenes and Diazabenzoindoles Built on a Pyrrolopyrrole Scaffold.","The Journal of organic chemistry","2016","81","15","6580","6586","10.1021/acs.joc.6b01209","","","1.54178","CuKα","","0.1466","0.0869","","","0.2108","0.2295","","","","","","1.066","","","","has coordinates,has disorder","235542","2020-10-21","18:00:00",""
"4037001","9.5835","0.0013","10.586","0.002","11.7122","0.0018","95.186","0.015","94.476","0.012","102.71","0.014","1148.5","0.3","293.42","0.1","293.42","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Cl2 N0.5 O2 S -","- C24 H23 Cl N2 O2 S2 -","- C48 H46 Cl2 N4 O4 S4 -","2","1","","Xie, Ting; Xiao, Yu; Zhao, Shuai; Hu, Xiu-Qin; Xu, Peng-Fei","Catalyst-Free Chemoselective Synthesis of 3,4-Dihydroquinazoline-2-thiones and 2-Imino[1,3]benzothiazines.","The Journal of organic chemistry","2016","81","21","10499","10505","10.1021/acs.joc.6b01232","","x-ray","0.71073","MoKα","","0.097","0.056","","","0.1153","0.1475","","","","","","1.048","","","","has coordinates","235543","2020-10-21","18:00:00",""
"4037002","7.0643","0.001","19.913","0.004","13.651","0.002","90","","101.208","0.015","90","","1883.7","0.5","295.38","0.1","295.38","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br N2 O S -","- C22 H17 Br N2 O S -","- C88 H68 Br4 N8 O4 S4 -","4","1","","Xie, Ting; Xiao, Yu; Zhao, Shuai; Hu, Xiu-Qin; Xu, Peng-Fei","Catalyst-Free Chemoselective Synthesis of 3,4-Dihydroquinazoline-2-thiones and 2-Imino[1,3]benzothiazines.","The Journal of organic chemistry","2016","81","21","10499","10505","10.1021/acs.joc.6b01232","","x-ray","0.71073","MoKα","","0.1775","0.0594","","","0.121","0.1346","","","","","","0.734","","","","has coordinates","235545","2020-10-21","18:00:00",""
"4037003","8.3265","0.0002","10.1974","0.0003","38.2435","0.0016","90","","90","","90","","3247.2","0.18","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N3 O7 S -","- C30 H41 N3 O7 S -","- C120 H164 N12 O28 S4 -","4","1","","Huang, Hong-Xiu; Wang, Hui-Jing; Tan, Ling; Wang, Shu-Qing; Tang, Pei; Song, Hao; Liu, Xiao-Yu; Zhang, Dan; Qin, Yong","Asymmetric Michael Addition Induced by (R)-tert-Butanesulfinamide and Syntheses of Chiral Pyrazolidinone Derivatives.","The Journal of organic chemistry","2016","81","21","10506","10516","10.1021/acs.joc.6b01237","","x-ray","0.71073","MoKα","","0.0897","0.0667","","","0.1858","0.2072","","","","","","1.041","","","","has coordinates,has disorder","235546","2020-10-21","18:00:00",""
"4037004","14.6277","0.0013","11.2274","0.001","9.0326","0.0007","90","","92.402","0.004","90","","1482.1","0.2","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(1-(p-tolyl)vinyl)quinazolin-4(3H)-one","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","x-ray","0.71073","MoKα","","0.0719","0.0451","","","0.1135","0.1377","","","","","","1.03","","","","has coordinates","235548","2020-10-21","18:00:00",""
"4037005","12.154","0.005","22.713","0.008","8.812","0.003","90","","100.95","0.02","90","","2388.3","1.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-[1-(2-methyl-1,1-dioxido-4-tosyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazin-3-yl)vinyl]benzoate","","- C25 H24 N2 O6 S2 -","- C25 H24 N2 O6 S2 -","- C100 H96 N8 O24 S8 -","4","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","x-ray","0.71073","MoKα","","0.1002","0.054","","","0.1442","0.1713","","","","","","0.941","","","","has coordinates","235550","2020-10-21","18:00:00",""
"4037006","8.0522","0.0011","11.3712","0.0017","12.2775","0.0019","82.627","0.01","81.964","0.01","77.726","0.009","1082","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","3-methyl-2-(1-phenylvinyl)-1-tosyl-2,3-dihydroquinazolin-4(1H)-one","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C48 H44 N4 O6 S2 -","2","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","","0.71073","MoKα","","0.1128","0.0511","","","0.1313","0.1597","","","","","","0.992","","","","has coordinates","235552","2020-10-21","18:00:00",""
"4037007","7.0264","0.0013","14.456","0.003","15.504","0.003","90","","93.11","0.012","90","","1572.5","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 4-(1-(3-methyl-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)vinyl)benzoate","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","x-ray","0.71073","MoKα","","0.0718","0.0458","","","0.1105","0.1281","","","","","","1.027","","","","has coordinates","235553","2020-10-21","18:00:00",""
"4037008","7.9587","0.0006","9.949","0.0009","10.9208","0.001","112.261","0.008","103.489","0.007","90.299","0.007","773.98","0.13","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Ramakrishna, Kankanala; Sivasankar, Chinnappan","Synthesis of Aminobenzoic Acid Derivatives via Chemoselective Carbene Insertion into the -NH Bond Catalyzed by Cu(I) Complex.","The Journal of organic chemistry","2016","81","15","6609","6616","10.1021/acs.joc.6b01249","","","0.71073","MoKα","","0.1049","0.0644","","","0.1557","0.1828","","","","","","1.0978","","","","has coordinates","235555","2020-10-21","18:00:00",""
"4037009","20.851","0.004","7.341","0.002","20.98","0.004","90","","108.138","0.012","90","","3051.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","2","","Dong, Wuheng; Hu, Bei; Gao, Xiaoshuang; Li, Yuyuan; Xie, Xiaomin; Zhang, Zhaoguo","Visible-Light-Induced Photocatalytic Aerobic Oxidation/Povarov Cyclization Reaction: Synthesis of Substituted Quinoline-Fused Lactones.","The Journal of organic chemistry","2016","81","19","8770","8776","10.1021/acs.joc.6b01253","","","1.54178","CuKα","","0.0468","0.043","","","0.1153","0.1187","","","","","","1.055","","","","has coordinates","235557","2020-10-21","18:00:00",""
"4037010","13.1126","0.0011","6.5684","0.0006","13.1785","0.0011","90","","90.335","0.002","90","","1135.03","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Br O3 S2 -","- C9 H11 Br O3 S2 -","- C36 H44 Br4 O12 S8 -","4","1","","Acosta, Jaime A. M.; Muddala, Ramesh; Barbosa, Luiz C. A.; Boukouvalas, John","Total Synthesis of the Antitumor Antibiotic Basidalin.","The Journal of organic chemistry","2016","81","15","6883","6886","10.1021/acs.joc.6b01255","","x-ray","1.34139","GaKα","","0.0272","0.0272","","","0.07","0.07","","","","","","1.193","","","","has coordinates","235559","2020-10-21","18:00:00",""
"4037011","8.309","0.01","9.627","0.011","19.08","0.02","90","","90","","90","","1526","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C5 H8 N6 -","- C5 H8 N6 -","- C40 H64 N48 -","8","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.0528","0.0425","","","0.1255","0.1352","","","","","","1.016","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037012","8.887","0.017","10.048","0.019","12.94","0.02","104.87","0.02","101.59","0.03","111.32","0.03","983","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C40 H52 N8 O8 -","2","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.1017","0.082","","","0.2138","0.2318","","","","","","0.992","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037013","7.446","0.0013","11.786","0.002","21.591","0.004","90","","90","","90","","1894.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl N4 O3 -","- C19 H23 Cl N4 O3 -","- C76 H92 Cl4 N16 O12 -","4","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.0417","0.037","","","0.0981","0.1016","","","","","","1.041","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037014","6.0626","0.0011","8.9367","0.0017","18.296","0.003","92.163","0.006","94.933","0.006","94.674","0.006","983.3","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl N O2 -","- C25 H18 Cl N O2 -","- C50 H36 Cl2 N2 O4 -","2","1","","Liu, Jiaming; Ye, Weijian; Qing, Xushun; Wang, Cunde","Solvent-Free DABCO-Mediated [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes with Aldehydes: Strategy for Synthesis of Fully Substituted Furans.","The Journal of organic chemistry","2016","81","17","7970","7976","10.1021/acs.joc.6b01259","","","0.71073","MoKα","","0.1611","0.0636","","","0.1087","0.1337","","","","","","1.002","","","","has coordinates","235562","2020-10-21","18:00:00",""
"4037015","16.523","0.0008","5.8117","0.0003","21.7152","0.001","90","","103.099","0.002","90","","2030.98","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O -","- C26 H21 N O -","- C104 H84 N4 O4 -","4","1","","Liu, Jiaming; Ye, Weijian; Qing, Xushun; Wang, Cunde","Solvent-Free DABCO-Mediated [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes with Aldehydes: Strategy for Synthesis of Fully Substituted Furans.","The Journal of organic chemistry","2016","81","17","7970","7976","10.1021/acs.joc.6b01259","","","0.71073","MoKα","","0.1182","0.0506","","","0.1212","0.1508","","","","","","1.019","","","","has coordinates","235563","2020-10-21","18:00:00",""
"4037016","6.0958","0.0013","8.9005","0.0018","18.462","0.004","91.851","0.006","94.524","0.007","94.956","0.007","994","0.4","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Br2 N O2 -","- C24 H15 Br2 N O2 -","- C48 H30 Br4 N2 O4 -","2","1","","Liu, Jiaming; Ye, Weijian; Qing, Xushun; Wang, Cunde","Solvent-Free DABCO-Mediated [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes with Aldehydes: Strategy for Synthesis of Fully Substituted Furans.","The Journal of organic chemistry","2016","81","17","7970","7976","10.1021/acs.joc.6b01259","","","0.71073","MoKα","","0.1815","0.0673","","","0.1134","0.1395","","","","","","1.006","","","","has coordinates","235564","2020-10-21","18:00:00",""
"4037017","30.463","0.006","6.3598","0.0012","26.835","0.006","90","","112.063","0.009","90","","4818.3","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H63 Br O7 -","- C46 H63 Br O7 -","- C184 H252 Br4 O28 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","0.71073","MoKα","","0.1023","0.0614","","","0.1532","0.1702","","","","","","0.928","","","","has coordinates","235566","2020-10-21","18:00:00",""
"4037018","7.686","0.0015","13.076","0.003","28.097","0.006","90","","90","","90","","2823.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 -","- C30 H52 O4 -","- C120 H208 O16 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","1.54178","CuKα","","0.0439","0.0428","","","0.1173","0.1187","","","","","","1.047","","","","has coordinates","235568","2020-10-21","18:00:00",""
"4037019","12.9119","0.0015","13.725","0.0017","16.0531","0.0019","90","","90","","90","","2844.9","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O5 -","- C30 H52 O5 -","- C120 H208 O20 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","0.71073","MoKα","","0.0632","0.0518","","","0.1267","0.1348","","","","","","1.033","","","","has coordinates","235569","2020-10-21","18:00:00",""
"4037020","19.0891","0.0019","10.1206","0.001","9.764","0.001","90","","95.083","0.005","90","","1878.9","0.3","190","2","190.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cl N2 O -","- C20 H31 Cl N2 O -","- C80 H124 Cl4 N8 O4 -","4","1","","Lansakara, Ashabha I.; Mariappan, S. V. Santhana; Pigge, F. Christopher","Alkylidene Dihydropyridines As Synthetic Intermediates: Model Studies toward the Synthesis of the Bis(piperidine) Alkaloid Xestoproxamine C.","The Journal of organic chemistry","2016","81","21","10266","10278","10.1021/acs.joc.6b01269","","","0.71073","MoKα","","0.0625","0.0541","","","0.1524","0.1602","","","","","","1.068","","","","has coordinates","235571","2020-10-21","18:00:00",""
"4037021","8.1814","0.0003","6.3315","0.0003","16.7915","0.0011","90","","92.691","0.004","90","","868.85","0.08","190","2","190","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O8 -","- C19 H20 N2 O8 -","- C38 H40 N4 O16 -","2","1","","Shang, Zhuo; Salim, Angela A.; Khalil, Zeinab; Bernhardt, Paul V.; Capon, Robert J.","Fungal Biotransformation of Tetracycline Antibiotics.","The Journal of organic chemistry","2016","81","15","6186","6194","10.1021/acs.joc.6b01272","","x-ray","1.54184","CuKα","","0.0465","0.0412","","","0.102","0.1237","","","","","","1.149","","","","has coordinates","235573","2020-10-21","18:00:00",""
"4037022","9.24482","0.00004","13.77957","0.00005","18.20928","0.00009","90","","90","","90","","2319.67","0.017","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 N4 O4 -","- C23 H32 N4 O4 -","- C92 H128 N16 O16 -","4","1","","Pancholi, Alpa K.; Geden, Joanna V.; Clarkson, Guy J.; Shipman, Michael","Asymmetric Synthesis of 2-Substituted Azetidin-3-ones via Metalated SAMP/RAMP Hydrazones.","The Journal of organic chemistry","2016","81","17","7984","7992","10.1021/acs.joc.6b01284","","x-ray","1.54184","CuKα","","0.0287","0.0283","","","0.0723","0.0727","","","","","","1.039","","","","has coordinates","235575","2020-10-21","18:00:00",""
"4037023","23.5029","0.0003","23.79","0.0003","24.7243","0.0003","90","","107.408","0.002","90","","13191","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H72 Cl N21 O14.5 -","- C50.5005 H72.002 Cl N21 O14.5005 -","- C404.004 H576.016 Cl8 N168 O116.004 -","8","2","","Ustrnul, Lukas; Babiak, Michal; Kulhanek, Petr; Sindelar, Vladimir","A Cucurbituril Derivative That Exhibits Cation-Modulated Self-Assembly.","The Journal of organic chemistry","2016","81","14","6075","6080","10.1021/acs.joc.6b01288","","","0.71075","MolybdenumKα","","0.0687","0.0592","","","0.1736","0.1814","","","","","","0.981","","","","has coordinates,has disorder","235577","2020-10-21","18:00:00",""
"4037024","12.8019","0.0003","18.7511","0.0005","26.0731","0.0006","85.372","0.002","79.229","0.002","89.774","0.002","6128.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H54 N20 O10 -","- C42 H54 N20 O10 -","- C168 H216 N80 O40 -","4","2","","Ustrnul, Lukas; Babiak, Michal; Kulhanek, Petr; Sindelar, Vladimir","A Cucurbituril Derivative That Exhibits Cation-Modulated Self-Assembly.","The Journal of organic chemistry","2016","81","14","6075","6080","10.1021/acs.joc.6b01288","","","0.71075","MolybdenumKα","","0.0913","0.066","","","0.1717","0.1843","","","","","","1.029","","","","has coordinates","235579","2020-10-21","18:00:00",""
"4037025","5.458","0.002","17.775","0.007","20.714","0.008","90","","94.07","0.007","90","","2004.5","1.3","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N5 O2 -","- C23 H21 N5 O2 -","- C92 H84 N20 O8 -","4","1","","Yang, Wenjun; Yuan, Chunhao; Liu, Yang; Mao, Biming; Sun, Zhanhu; Guo, Hongchao","[4 + 3] Cycloaddition of Phthalazinium Dicyanomethanides with Azoalkenes Formed in Situ: Synthesis of Triazepine Derivatives.","The Journal of organic chemistry","2016","81","17","7597","7603","10.1021/acs.joc.6b01296","","","0.71073","MoKα","","0.1044","0.0837","","","0.1336","0.1445","","","","","","1.21","","","","has coordinates","235581","2020-10-21","18:00:00",""
"4037026","24.524","0.003","7.0624","0.0009","19.532","0.003","90","","112.705","0.002","90","","3120.7","0.7","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N4 O4 S -","- C16 H12 N4 O4 S -","- C128 H96 N32 O32 S8 -","8","2","","Feng, Yian; Zou, Minming; Song, Runjiang; Shao, Xusheng; Li, Zhong; Qian, Xuhong","Formation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives.","The Journal of organic chemistry","2016","81","21","10321","10327","10.1021/acs.joc.6b01307","","","0.71073","MoKα","","0.1344","0.0558","","","0.1104","0.1366","","","","","","1.033","","","","has coordinates","235582","2020-10-21","18:00:00",""
"4037027","7.489","0.003","9.986","0.004","21.492","0.009","90","","91.551","0.01","90","","1606.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Br2 N3 O2 S -","- C15 H9 Br2 N3 O2 S -","- C60 H36 Br8 N12 O8 S4 -","4","1","","Feng, Yian; Zou, Minming; Song, Runjiang; Shao, Xusheng; Li, Zhong; Qian, Xuhong","Formation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives.","The Journal of organic chemistry","2016","81","21","10321","10327","10.1021/acs.joc.6b01307","","","0.71073","MoKα","","0.0542","0.0354","","","0.0806","0.0878","","","","","","1.019","","","","has coordinates","235583","2020-10-21","18:00:00",""
"4037028","7.2909","0.0007","11.6393","0.0012","13.0096","0.0012","90","","103.522","0.002","90","","1073.4","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N3 O2 S2 -","- C9 H7 N3 O2 S2 -","- C36 H28 N12 O8 S8 -","4","1","","Feng, Yian; Zou, Minming; Song, Runjiang; Shao, Xusheng; Li, Zhong; Qian, Xuhong","Formation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives.","The Journal of organic chemistry","2016","81","21","10321","10327","10.1021/acs.joc.6b01307","","","0.71073","MoKα","","0.0698","0.0618","","","0.1656","0.1724","","","","","","1.098","","","","has coordinates","235584","2020-10-21","18:00:00",""
"4037029","5.641","0.002","8.206","0.003","10.243","0.004","90","","94.7605","0.001","90","","472.5","0.3","93","","93","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C9 H11 N O2 S -","- C9 H11 N O2 S -","- C18 H22 N2 O4 S2 -","2","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","0.71075","MoKα","","0.0419","0.041","","","0.1034","0.1038","","","","","","0.997","","","","has coordinates","235585","2020-10-21","18:00:00",""
"4037030","10.368","0.003","5.8288","0.0013","15.852","0.004","90","","103.897","0.007","90","","929.9","0.4","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O2 S -","- C9 H11 N O2 S -","- C36 H44 N4 O8 S4 -","4","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","1.54187","CuKα","","0.0296","0.029","","","0.079","0.0795","","","","","","1.06","","","","has coordinates","235586","2020-10-21","18:00:00",""
"4037031","10.8788","0.0009","17.3089","0.0014","21.8706","0.001","90","","99.715","0.006","90","","4059.2","0.5","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 N9 O8 S2 -","- C36 H33 N9 O8 S2 -","- C144 H132 N36 O32 S8 -","4","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","1.54187","CuKα","","0.1693","0.1237","","","0.3559","0.3882","","","","","","1.303","","","","has coordinates","235587","2020-10-21","18:00:00",""
"4037032","12.395","0.004","6.2567","0.0017","19.489","0.006","90","","95.322","0.005","90","","1504.9","0.8","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl4 N O2 S -","- C13 H11 Cl4 N O2 S -","- C52 H44 Cl16 N4 O8 S4 -","4","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","0.71075","MoKα","","0.061","0.0485","","","0.0981","0.1114","","","","","","0.932","","","","has coordinates","235588","2020-10-21","18:00:00",""
"4037033","10.5994","0.0011","11.0901","0.0013","18.718","0.002","81.304","0.009","87.027","0.009","73.828","0.01","2088.8","0.4","293.64","0.1","293.64","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Br N2 O3 S -","- C21 H17 Br N2 O3 S -","- C84 H68 Br4 N8 O12 S4 -","4","2","","Zhao, Yuan-Yuan; Zhao, Shuai; Xie, Ji-Kang; Hu, Xiu-Qin; Xu, Peng-Fei","Synthesis of Spirocyclic Oxindole Dihydrothiophenes by DBU-Catalyzed [3 + 2] Annulation of Morita-Baylis-Hillman Carbonates with Isothiocyanates.","The Journal of organic chemistry","2016","81","21","10532","10537","10.1021/acs.joc.6b01315","","x-ray","0.71073","MoKα","","0.2332","0.0675","","","0.0835","0.131","","","","","","0.947","","","","has coordinates","235589","2020-10-21","18:00:00",""
"4037034","10.6291","0.0003","11.8059","0.0005","13.0252","0.0005","69.939","0.004","76.544","0.003","69.975","0.003","1430.14","0.1","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H37 B N4 -","- C36 H37 B N4 -","- C72 H74 B2 N8 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0483","0.0439","","","0.1173","0.124","","","","","","1.027","","","","has coordinates","235591","2020-10-21","18:00:00",""
"4037035","8.96475","0.00011","11.16288","0.00014","15.6791","0.00016","90","","102.308","0.0011","90","","1532.98","0.03","220.01","0.1","220.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 F6 N4 P -","- C12 H17 F6 N4 P -","- C48 H68 F24 N16 P4 -","4","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0541","0.0516","","","0.1428","0.1464","","","","","","1.056","","","","has coordinates,has disorder","235591","2020-10-21","18:00:00",""
"4037036","10.4939","0.0004","10.7181","0.0004","17.7859","0.0007","97.607","0.003","99.959","0.003","113.378","0.004","1763.31","0.14","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C43 H48 B N7 -","- C43 H48 B N7 -","- C86 H96 B2 N14 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0423","0.0403","","","0.104","0.106","","","","","","1.037","","","","has coordinates","235591","2020-10-21","18:00:00",""
"4037037","14.8866","0.0004","21.6382","0.0005","26.3236","0.0007","82.288","0.002","74.892","0.002","88.82","0.002","8111.3","0.4","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C201 H207 B6 N21 -","- C201 H207 B6 N21 -","- C402 H414 B12 N42 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0913","0.0646","","","0.1605","0.1837","","","","","","1.06","","","","has coordinates,has disorder","235591","2020-10-21","18:00:00",""
"4037038","10.6291","0.0003","11.8059","0.0005","13.0252","0.0005","69.939","0.004","76.544","0.003","69.975","0.003","1430.14","0.1","120","","120","","","","101","","","","","4","P -1","-P 1","2","","","","- C36 H37 B N4 -","- C36 H37 B N4 -","- C72 H74 B2 N8 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","neutron","0.85","neutron","","0.1114","0.0721","","0.0793","0.0531","0.0467","","","","","","1.0894","","","","has coordinates","235591","2020-10-21","18:00:00",""
"4037039","10.1677","0.0006","10.2037","0.0005","10.2235","0.0006","90","","111.168","0.002","90","","989.1","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H66 N2 O6 -","- C42 H66 N2 O6 -","- C42 H66 N2 O6 -","1","0.5","","Buter, Jeffrey; Heijnen, Dorus; Wan, Ieng Chim; Bickelhaupt, F. Matthias; Young, David C.; Otten, Edwin; Moody, D. Branch; Minnaard, Adriaan J.","Stereoselective Synthesis of 1-Tuberculosinyl Adenosine; a Virulence Factor of Mycobacterium tuberculosis.","The Journal of organic chemistry","2016","81","15","6686","6696","10.1021/acs.joc.6b01332","","","0.71073","MoKα","","0.0463","0.0404","","","0.0963","0.1007","","","","","","1.051","","","","has coordinates","235593","2020-10-21","18:00:00",""
"4037040","4.25027","0.00012","29.614","0.0005","10.3858","0.0002","90","","100.939","0.003","90","","1283.48","0.05","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C56 H44 N4 O24 -","4","2","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.0376","0.0361","","","0.0966","0.0983","","","","","","1.065","","","","has coordinates","235595","2020-10-21","18:00:00",""
"4037041","9.9767","0.0002","11.8794","0.0002","11.9166","0.0003","90","","110.522","0.003","90","","1322.69","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.042","0.0357","","","0.091","0.0959","","","","","","1.066","","","","has coordinates","235596","2020-10-21","18:00:00",""
"4037042","11.2968","0.0004","10.0528","0.0003","11.7838","0.0004","90","","106.701","0.004","90","","1281.77","0.08","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.0437","0.0358","","","0.0852","0.0909","","","","","","1.052","","","","has coordinates","235597","2020-10-21","18:00:00",""
"4037043","6.4205","0.0003","11.7811","0.0006","14.1339","0.0006","90","","90","","90","","1069.1","0.09","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.0335","0.0305","","","0.0767","0.0791","","","","","","1.054","","","","has coordinates","235598","2020-10-21","18:00:00",""
"4037044","7.7814","0.0004","9.8387","0.0004","12.3163","0.0006","90.726","0.003","99.896","0.002","108.482","0.002","878.7","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Wang, Chao-Ming; Xiao, Jun-An; Wang, Jing; Wang, Sha-Sha; Deng, Zhao-Xu; Yang, Hua","Organocatalytic Enantioselective Conjugate Addition of Azlactones to Enolizable Linear and Cyclic Enones.","The Journal of organic chemistry","2016","81","17","8001","8008","10.1021/acs.joc.6b01356","","","0.71073","MoKα","","0.0536","0.0406","","","0.1096","0.1187","","","","","","1.031","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4037045","6.2258","0.0003","12.6033","0.0005","15.3627","0.0006","106.18","0.001","93.364","0.001","98.321","0.001","1139.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 O2 Si -","- C27 H30 O2 Si -","- C54 H60 O4 Si2 -","2","1","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.0552","0.0428","","","0.1027","0.11","","","","","","1.02","","","","has coordinates","235601","2020-10-21","18:00:00",""
"4037046","6.1609","0.0003","13.353","0.0006","18.5067","0.0008","90","","92.234","0.001","90","","1521.32","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H44 O3 Si2 -","- C33 H44 O3 Si2 -","- C66 H88 O6 Si4 -","2","1","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.0955","0.0539","","","0.0931","0.1052","","","","","","1.015","","","","has coordinates","235601","2020-10-21","18:00:00",""
"4037047","7.605","0.002","10.832","0.003","31.237","0.009","99.565","0.005","94.919","0.005","91.051","0.005","2526.7","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H30 O2 Si -","- C31 H30 O2 Si -","- C124 H120 O8 Si4 -","4","2","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.1904","0.1434","","","0.3606","0.4022","","","","","","1.03","","","","has coordinates,has disorder","235601","2020-10-21","18:00:00",""
"4037048","34.657","0.002","6.6454","0.0004","29.863","0.002","90","","94.62","0.002","90","","6855.4","0.7","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C37 H46 O3 Si2 -","- C37 H46 O3 Si2 -","- C296 H368 O24 Si16 -","8","2","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.3461","0.1199","","","0.2142","0.2936","","","","","","1.011","","","","has coordinates","235601","2020-10-21","18:00:00",""
"4037049","8.7702","0.0005","11.1933","0.0007","18.6003","0.001","87.138","0.003","89.981","0.003","89.511","0.003","1823.6","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 F N2 O4 S2 -","- C17 H21 F N2 O4 S2 -","- C68 H84 F4 N8 O16 S8 -","4","2","","Le Guen, Clothilde; Tran Do, Minh-Loan; Chardon, Aurélien; Lebargy, Cyril; Lohier, Jean-François; Pfund, Emmanuel; Lequeux, Thierry","Access to Fluoropyrrolidines by Intramolecular Aza-Michael Addition Reaction.","The Journal of organic chemistry","2016","81","15","6714","6720","10.1021/acs.joc.6b01363","","","0.71073","MoKα","","0.1028","0.0919","","","0.1976","0.2025","","","","","","1.178","","","","has coordinates,has disorder","235602","2020-10-21","18:00:00",""
"4037050","12.6636","0.0003","15.0363","0.0003","10.1827","0.0002","90","","106.353","0.001","90","","1860.49","0.07","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(Fluoro-2-benzothiazolylsulfonyl)-ethyl]-1-benzylpyrrolidine","","- C19 H19 F N2 O2 S2 -","- C19 H19 F N2 O2 S2 -","- C76 H76 F4 N8 O8 S8 -","4","1","","Le Guen, Clothilde; Tran Do, Minh-Loan; Chardon, Aurélien; Lebargy, Cyril; Lohier, Jean-François; Pfund, Emmanuel; Lequeux, Thierry","Access to Fluoropyrrolidines by Intramolecular Aza-Michael Addition Reaction.","The Journal of organic chemistry","2016","81","15","6714","6720","10.1021/acs.joc.6b01363","","","0.71073","MoKα","","0.0664","0.0456","","","0.1204","0.1376","","","","","","1.034","","","","has coordinates","235603","2020-10-21","18:00:00",""
"4037051","7.5585","0.0002","7.1426","0.0002","19.836","0.0005","90","","97.549","0.002","90","","1061.61","0.05","218","2","218","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O7 -","- C20 H29 N O7 -","- C40 H58 N2 O14 -","2","1","","Runyon, Scott P.; Kormos, Chad M.; Gichinga, Moses G.; Mascarella, S. Wayne; Navarro, Hernán A; Deschamps, Jeffrey R.; Imler, Gregory H.; Carroll, F. Ivy","Design, Synthesis, and Biological Evaluation of Structurally Rigid Analogues of 4-(3-Hydroxyphenyl)piperidine Opioid Receptor Antagonists.","The Journal of organic chemistry","2016","81","21","10383","10391","10.1021/acs.joc.6b01366","","","0.71073","MoKα","","0.0681","0.0463","","","0.1086","0.128","","","","","","1.094","","","","has coordinates,has disorder","235604","2020-10-21","18:00:00",""
"4037052","7.9239","0.0003","16.055","0.0007","8.1077","0.0004","90","","100.693","0.002","90","","1013.54","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Runyon, Scott P.; Kormos, Chad M.; Gichinga, Moses G.; Mascarella, S. Wayne; Navarro, Hernán A; Deschamps, Jeffrey R.; Imler, Gregory H.; Carroll, F. Ivy","Design, Synthesis, and Biological Evaluation of Structurally Rigid Analogues of 4-(3-Hydroxyphenyl)piperidine Opioid Receptor Antagonists.","The Journal of organic chemistry","2016","81","21","10383","10391","10.1021/acs.joc.6b01366","","","1.54178","CuKα","","0.1007","0.0778","","","0.2475","0.2697","","","","","","1.148","","","","has coordinates","235605","2020-10-21","18:00:00",""
"4037053","12.3522","0.0003","12.7928","0.0004","13.7288","0.0005","90","","90","","90","","2169.41","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Psychrophilin E","N-(2,10,16-trioxo-1,9,15-triazapentacyclo[17.6.1.03,8.011,15.020,25]hexacosa-3,5,7,19(26),20,22,24-heptaen-17-yl)acetamide","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Ngen, Sarah T. Y.; Kaur, Harveen; Hume, Paul A.; Furkert, Daniel P.; Brimble, Margaret A.","Synthesis of Psychrophilin E.","The Journal of organic chemistry","2016","81","17","7635","7643","10.1021/acs.joc.6b01369","","","0.71073","MoKα","","0.0815","0.0501","","","0.0955","0.1084","","","","","","0.98","","","","has coordinates","235606","2020-10-21","18:00:00",""
"4037054","5.9316","0.0003","16.4646","0.001","29.5614","0.0018","90","","90","","90","","2887","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 O3 P -","- C32 H39 O3 P -","- C128 H156 O12 P4 -","4","1","","Wang, Ji-Ping; Nie, Shao-Zhen; Zhou, Zhong-Yang; Ye, Jing-Jing; Wen, Jing-Hong; Zhao, Chang-Qiu","Preparation of Optically Pure Tertiary Phosphine Oxides via the Addition of P-Stereogenic Secondary Phosphine Oxide to Activated Alkenes.","The Journal of organic chemistry","2016","81","17","7644","7653","10.1021/acs.joc.6b01371","","","1.54184","CuKα","","0.1244","0.0628","","","0.1208","0.1419","","","","","","1.03","","","","has coordinates","235607","2020-10-21","18:00:00",""
"4037055","15.6549","0.0014","18.478","0.0018","21.6785","0.0019","90","","96.588","0.001","90","","6229.6","1","298","2","298","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C60.5 H57 Br Cl7 N6 Ni O4 P -","- C60.5 H57 Br Cl7 N6 Ni O4 P -","- C242 H228 Br4 Cl28 N24 Ni4 O16 P4 -","4","1","","Zhang, Haowei; Yang, Bing; Yang, Zhen; Lu, Hongjian; Li, Guigen","Asymmetric Synthesis of Chiral α-Methyl-α,β-diamino Acid Derivatives via Group-Assisted Purification Chemistry Using N-Phosphonyl Imines and a Ni(II)-Complexed Alanine Schiff Base.","The Journal of organic chemistry","2016","81","17","7654","7661","10.1021/acs.joc.6b01385","","","0.71073","MoKα","","0.1712","0.0807","","","0.1826","0.2071","","","","","","1.073","","","","has coordinates,has disorder","235608","2020-10-21","18:00:00",""
"4037056","8.2512","0.001","8.4759","0.001","10.485","0.012","94.945","0.014","98.272","0.017","96.801","0.012","716.6","0.8","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Yamamoto, Chiaki; Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Intramolecular Benzylic C-H Amination for the Synthesis of Isoindolinones.","The Journal of organic chemistry","2016","81","17","7675","7684","10.1021/acs.joc.6b01393","","","0.71075","MoKα","","","0.0665","","","","0.1786","","","","","","1.039","","","","has coordinates","235609","2020-10-21","18:00:00",""
"4037057","11.2737","0.0004","14.8446","0.0004","16.967","0.0005","90","","93.758","0.003","90","","2833.38","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N -","- C40 H29 N -","- C160 H116 N4 -","4","1","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.54184","CuKα","","0.0968","0.0755","","","0.2144","0.2372","","","","","","1.03","","","","has coordinates","235611","2020-10-21","18:00:00",""
"4037058","18.8646","0.0009","16.0066","0.0006","9.2096","0.0004","90","","100.717","0.004","90","","2732.4","0.2","566","2","566","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N -","- C40 H29 N -","- C160 H116 N4 -","4","1","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.54184","CuKα","","0.1007","0.0773","","","0.236","0.2625","","","","","","1.11","","","","has coordinates","235613","2020-10-21","18:00:00",""
"4037059","13.33994","0.00019","22.145","0.0003","8.96791","0.00014","90","","92.0494","0.0013","90","","2647.54","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H27 N -","- C40 H27 N -","- C160 H108 N4 -","4","1","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.54184","","","0.0589","0.0484","","","","0.1459","","","","","","1.0332","","","","has coordinates","235614","2020-10-21","18:00:00",""
"4037060","31.2176","0.0006","7.90971","0.00014","22.4566","0.0004","90","","101.112","0.0017","90","","5441.08","0.17","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N -","- C40 H29 N -","- C320 H232 N8 -","8","2","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.5418","CuKα","","0.0882","0.0803","","","0.2116","0.2224","","","","","","1.043","","","","has coordinates","235615","2020-10-21","18:00:00",""
"4037061","8.1824","0.0004","10.4332","0.0005","9.2974","0.0004","90","","99.884","0.005","90","","781.93","0.06","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","","Mahendar, Lodi; Satyanarayana, Gedu","Domino [Pd]-Catalysis: One-Pot Synthesis of Isobenzofuran-1(3H)-ones.","The Journal of organic chemistry","2016","81","17","7685","7691","10.1021/acs.joc.6b01396","","x-ray","1.54184","CuKα","","0.0778","0.0587","","","0.1566","0.185","","","","","","1.105","","","","has coordinates","235617","2020-10-21","18:00:00",""
"4037062","7.1301","0.0009","12.3459","0.0009","9.2749","0.0009","90","","112.434","0.013","90","","754.66","0.15","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 O4 -","- C9 H6 O4 -","- C36 H24 O16 -","4","1","","Mahendar, Lodi; Satyanarayana, Gedu","Domino [Pd]-Catalysis: One-Pot Synthesis of Isobenzofuran-1(3H)-ones.","The Journal of organic chemistry","2016","81","17","7685","7691","10.1021/acs.joc.6b01396","","","1.54184","CuKα","","0.0799","0.0557","","","0.1391","0.162","","","","","","1.1182","","","","has coordinates","235618","2020-10-21","18:00:00",""
"4037063","23.742","0.0005","7.5924","0.0001","7.887","0.0002","90","","90","","90","","1421.7","0.05","200","","200","","","","","","","","local","4","P c a 21","P 2c -2ac","29","","","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.","A Formal Total Synthesis of (±)-Kopsihainanine A Using a Raney-Cobalt Mediated Reductive Cyclization Route to Polyhydroquinolines.","The Journal of organic chemistry","2016","81","17","8022","8028","10.1021/acs.joc.6b01400","","","0.71073","MoKα","","0.0351","0.0298","","0.0739","0.0715","0.0739","","","","","","0.9888","","","","has coordinates","235621","2020-10-21","18:00:00",""
"4037064","11.2237","0.0003","10.5952","0.0003","11.5492","0.0002","90","","90.1718","0.0015","90","","1373.39","0.06","200","","200","","","","","","","","local","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.","A Formal Total Synthesis of (±)-Kopsihainanine A Using a Raney-Cobalt Mediated Reductive Cyclization Route to Polyhydroquinolines.","The Journal of organic chemistry","2016","81","17","8022","8028","10.1021/acs.joc.6b01400","","","0.71073","MoKα","","0.0571","0.0436","","0.1122","0.1045","0.1122","","","","","","0.9746","","","","has coordinates","235622","2020-10-21","18:00:00",""
"4037065","8.3982","0.0001","10.5143","0.0002","20.8016","0.0004","90","","94.8955","0.001","90","","1830.11","0.05","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N3 O2 -","- C20 H27 N3 O2 -","- C80 H108 N12 O8 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.","A Formal Total Synthesis of (±)-Kopsihainanine A Using a Raney-Cobalt Mediated Reductive Cyclization Route to Polyhydroquinolines.","The Journal of organic chemistry","2016","81","17","8022","8028","10.1021/acs.joc.6b01400","","","0.71073","MoKα","","0.0554","0.0397","","0.1028","0.0955","0.1028","","","","","","0.9581","","","","has coordinates","235623","2020-10-21","18:00:00",""
"4037066","6.1702","0.0004","15.1497","0.001","17.1805","0.0012","90","","91.704","0.003","90","","1605.27","0.19","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Humpl, Marek; Tauchman, Jiří; Topolovčan, Nikola; Kretschmer, Jan; Hessler, Filip; Císařová, Ivana; Kotora, Martin; Veselý, Jan","Stereoselective Synthesis of Ezetimibe via Cross-Metathesis of Homoallylalcohols and α-Methylidene-β-Lactams.","The Journal of organic chemistry","2016","81","17","7692","7699","10.1021/acs.joc.6b01406","","","0.71073","MoKα","","0.0665","0.0397","","","0.0861","0.0971","","","","","","1.024","","","","has coordinates","235624","2020-10-21","18:00:00",""
"4037067","5.8199","0.0004","8.0405","0.0005","18.4354","0.0011","87.091","0.002","88.121","0.002","89.793","0.002","861.11","0.09","150","2","150","2","","","","","","","synthesized by the authors","4","P 1","P 1","1","","","","- C23 H19 N O -","- C23 H19 N O -","- C46 H38 N2 O2 -","2","2","","Humpl, Marek; Tauchman, Jiří; Topolovčan, Nikola; Kretschmer, Jan; Hessler, Filip; Císařová, Ivana; Kotora, Martin; Veselý, Jan","Stereoselective Synthesis of Ezetimibe via Cross-Metathesis of Homoallylalcohols and α-Methylidene-β-Lactams.","The Journal of organic chemistry","2016","81","17","7692","7699","10.1021/acs.joc.6b01406","","","0.71073","MoKα","","0.0476","0.0431","","","0.1009","0.1036","","","","","","1.031","","","","has coordinates,has disorder","235625","2020-10-21","18:00:00",""
"4037068","16.676","0.002","16.766","0.002","18.31","0.002","86.666","0.011","72.882","0.007","82.504","0.01","4849.6","1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C60.5 H59 Cl -","- C60.5 H59 Cl -","- C242 H236 Cl4 -","4","2","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","0.71075","MoKα","","0.1105","0.0956","","","0.1957","0.2045","","","","","","1.221","","","","has coordinates,has disorder","235626","2020-10-21","18:00:00",""
"4037069","9.4783","0.0009","27.727","0.002","35.544","0.003","90","","90","","90","","9341.1","1.4","113","2","113","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 H58 -","- C60 H58 -","- C480 H464 -","8","1","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","1.54187","CuKα","","0.0514","0.0443","","","0.1176","0.1222","","","","","","1.028","","","","has coordinates,has disorder","235627","2020-10-21","18:00:00",""
"4037070","47.18","0.03","9.144","0.005","21.056","0.011","90","","96.297","0.013","90","","9029","9","113","","113","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 H58 -","- C60 H58 -","- C480 H464 -","8","1","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","1.54187","CuKα","","0.1655","0.0747","","","0.1791","0.2268","","","","","","1.01","","","","has coordinates","235628","2020-10-21","18:00:00",""
"4037071","10.588","0.002","13.867","0.002","16.98","0.003","78.787","0.011","88.157","0.013","82.737","0.013","2425.8","0.7","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C56 H56 -","- C56 H56 -","- C112 H112 -","2","1","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","0.71075","MoKα","","0.1056","0.0928","","","0.237","0.246","","","","","","1.205","","","","has coordinates","235630","2020-10-21","18:00:00",""
"4037072","7.4284","0.0002","9.2229","0.0002","22.4749","0.0007","90","","90","","90","","1539.79","0.07","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0379","0.0342","","","0.0812","0.0838","","","","","","1.083","","","","has coordinates","235631","2020-10-21","18:00:00",""
"4037073","7.9409","0.0006","9.0559","0.0005","25.8657","0.0016","90","","90","","90","","1860.1","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0439","0.0378","","","0.0858","0.0895","","","","","","1.046","","","","has coordinates","235632","2020-10-21","18:00:00",""
"4037074","7.0231","0.0004","7.1476","0.0003","29.3182","0.0016","90","","90","","90","","1471.72","0.13","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C72 H72 N8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0397","0.0364","","","0.0853","0.0874","","","","","","1.035","","","","has coordinates","235634","2020-10-21","18:00:00",""
"4037075","6.281","0.0002","19.8359","0.0007","7.8253","0.0003","90","","91.333","0.002","90","","974.68","0.06","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O -","- C25 H27 N O -","- C50 H54 N2 O2 -","2","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0354","0.0313","","","0.0765","0.0779","","","","","","1.145","","","","has coordinates","235635","2020-10-21","18:00:00",""
"4037076","6.262","0.0005","8.1188","0.0006","20.3785","0.0016","90","","92.859","0.002","90","","1034.75","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C52 H58 N2 O4 -","2","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0457","0.0438","","","0.1149","0.1162","","","","","","1.06","","","","has coordinates","235637","2020-10-21","18:00:00",""
"4037077","7.0779","0.0002","9.264","0.0003","26.1004","0.0007","90","","90","","90","","1711.39","0.09","150","","150","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","1.54184","CuKα","","0.0268","0.0262","","","0.0672","0.0675","","","","","","1.038","","","","has coordinates,has disorder","235638","2020-10-21","18:00:00",""
"4037078","8.237","0.0002","21.2108","0.0004","8.4707","0.0002","90","","98.7489","0.0019","90","","1462.72","0.06","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C72 H88 N8 O4 -","4","2","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","A Raney Cobalt Mediated Reductive Cyclization Route to the Uleine Alkaloid Gilbertine.","The Journal of organic chemistry","2016","81","21","10551","10557","10.1021/acs.joc.6b01424","","","1.54184","CuKα","","0.054","0.0524","","0.1374","0.1353","0.1374","","","","","","1.0038","","","","has coordinates","235639","2020-10-21","18:00:00",""
"4037079","5.856","0.0002","11.9176","0.0004","15.3239","0.0007","109.83","0.004","97.254","0.003","99.9","0.003","971.19","0.07","150","","150","","","","","","","","local","4","P -1","-P 1","2","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C46 H44 N4 O8 -","2","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","A Raney Cobalt Mediated Reductive Cyclization Route to the Uleine Alkaloid Gilbertine.","The Journal of organic chemistry","2016","81","21","10551","10557","10.1021/acs.joc.6b01424","","","1.54184","CuKα","","0.0466","0.0413","","0.1048","0.1007","0.1048","","","","","","0.9915","","","","has coordinates","235640","2020-10-21","18:00:00",""
"4037080","10.2934","0.0002","10.7138","0.0002","22.2707","0.0003","90","","90.0949","0.0014","90","","2456.04","0.07","150","","150","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C112 H136 N8 O12 -","4","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","A Raney Cobalt Mediated Reductive Cyclization Route to the Uleine Alkaloid Gilbertine.","The Journal of organic chemistry","2016","81","21","10551","10557","10.1021/acs.joc.6b01424","","","1.54184","CuKα","","0.0403","0.0381","","0.0974","0.0952","0.0974","","","","","","0.9978","","","","has coordinates","235641","2020-10-21","18:00:00",""
"4037081","12.4458","0.0002","10.5223","0.0002","21.942","0.0004","90","","99.439","0.002","90","","2834.59","0.09","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 N5 O2 -","- C34 H35 N5 O2 -","- C136 H140 N20 O8 -","4","1","","Abdelraheem, Eman M. M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.","The Journal of organic chemistry","2016","81","19","8789","8795","10.1021/acs.joc.6b01430","","","1.54184","CuKα","","0.0555","0.044","","","0.1124","0.1234","","","","","","1.027","","","","has coordinates","235643","2020-10-21","18:00:00",""
"4037082","12.6015","0.0002","9.4461","0.0002","37.952","0.0009","90","","90","","90","","4517.62","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H30 N6 O4 -","- C22 H30 N6 O4 -","- C176 H240 N48 O32 -","8","1","","Abdelraheem, Eman M. M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.","The Journal of organic chemistry","2016","81","19","8789","8795","10.1021/acs.joc.6b01430","","","1.54184","CuKα","","0.0433","0.036","","","0.0849","0.0907","","","","","","1.054","","","","has coordinates","235645","2020-10-21","18:00:00",""
"4037083","13.0983","0.0005","13.093","0.0005","15.9951","0.0005","90","","97.187","0.003","90","","2721.54","0.17","129","1","129","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N5 O2 -","- C31 H29 N5 O2 -","- C124 H116 N20 O8 -","4","1","","Abdelraheem, Eman M. M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.","The Journal of organic chemistry","2016","81","19","8789","8795","10.1021/acs.joc.6b01430","","","1.5418","CuKα","","0.0536","0.0431","","","0.1089","0.1171","","","","","","1.023","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4037084","10.137","0.002","10.176","0.002","40.85","0.008","90","","90","","90","","4213.8","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N O3 Si -","- C19 H31 N O3 Si -","- C152 H248 N8 O24 Si8 -","8","2","","Meng, Lingxing","Total Synthesis of (-)-Carinatine A and (+)-Lycopladine A.","The Journal of organic chemistry","2016","81","17","7784","7789","10.1021/acs.joc.6b01435","","","1.54178","CuKα","","0.0388","0.0368","","","0.1012","0.1032","","","","","","1.041","","","","has coordinates","235648","2020-10-21","18:00:00",""
"4037085","7.946","0.002","11.256","0.003","8.207","0.002","90","","101.141","0.004","90","","720.2","0.3","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C32 H44 O6 -","2","1","","Meng, Lingxing","Total Synthesis of (-)-Carinatine A and (+)-Lycopladine A.","The Journal of organic chemistry","2016","81","17","7784","7789","10.1021/acs.joc.6b01435","","","0.71073","MoKα","","0.0584","0.0475","","","0.1148","0.1224","","","","","","1.029","","","","has coordinates","235649","2020-10-21","18:00:00",""
"4037086","9.1684","0.0013","7.1253","0.0011","22.658","0.004","90","","92.64","0.003","90","","1478.6","0.4","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C64 H68 Br4 O16 -","4","0.5","","Geibel, Irina; Dierks, Anna; Schmidtmann, Marc; Christoffers, Jens","Formation of δ-Lactones by Cerium-Catalyzed, Baeyer-Villiger-Type Coupling of β-Oxoesters, Enol Acetates, and Dioxygen.","The Journal of organic chemistry","2016","81","17","7790","7798","10.1021/acs.joc.6b01441","","","0.71073","MoKα","","0.0608","0.0469","","","0.1029","0.1083","","","","","","1.118","","","","has coordinates,has disorder","235650","2020-10-21","18:00:00",""
"4037087","13.208","0.0007","7.0604","0.0004","16.8743","0.001","90","","103.925","0.0017","90","","1527.35","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Br O5 -","- C16 H17 Br O5 -","- C64 H68 Br4 O20 -","4","1","","Geibel, Irina; Dierks, Anna; Schmidtmann, Marc; Christoffers, Jens","Formation of δ-Lactones by Cerium-Catalyzed, Baeyer-Villiger-Type Coupling of β-Oxoesters, Enol Acetates, and Dioxygen.","The Journal of organic chemistry","2016","81","17","7790","7798","10.1021/acs.joc.6b01441","","","0.71073","MoKα","","0.0382","0.0315","","","0.0785","0.0815","","","","","","1.071","","","","has coordinates","235652","2020-10-21","18:00:00",""
"4037088","9.765","0.002","11.411","0.003","13.153","0.004","86.795","0.007","79.982","0.007","81.078","0.008","1425.2","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl2 N8 O2 -","- C30 H28 Cl2 N8 O2 -","- C60 H56 Cl4 N16 O4 -","2","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0462","0.0431","","","0.1034","0.1059","","","","","","1.107","","","","has coordinates","235653","2020-10-21","18:00:00",""
"4037089","12.91","0.003","10.52","0.002","20.591","0.005","90","","91.871","0.003","90","","2795","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N8 O3 S -","- C32 H28 N8 O3 S -","- C128 H112 N32 O12 S4 -","4","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0545","0.0489","","","0.1103","0.1134","","","","","","1.126","","","","has coordinates","235654","2020-10-21","18:00:00",""
"4037090","8.485","0.002","17.555","0.005","18.846","0.005","90","","91.734","0.004","90","","2805.9","1.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N8 O3 S -","- C32 H28 N8 O3 S -","- C128 H112 N32 O12 S4 -","4","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0551","0.0526","","","0.1114","0.1125","","","","","","1.247","","","","has coordinates","235655","2020-10-21","18:00:00",""
"4037091","10.074","0.003","11.434","0.003","12.631","0.004","91.555","0.002","105.46","0.004","108.834","0.003","1316.9","0.7","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 F3 N8 O3 S -","- C26 H27 F3 N8 O3 S -","- C52 H54 F6 N16 O6 S2 -","2","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0636","0.0608","","","0.1683","0.1708","","","","","","1.111","","","","has coordinates","235656","2020-10-21","18:00:00",""
"4037092","9.7124","0.0013","9.7781","0.0013","17.437","0.003","80.127","0.009","78.698","0.008","63.431","0.006","1445.7","0.4","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N8 O3 -","- C33 H30 N8 O3 -","- C66 H60 N16 O6 -","2","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0488","0.0455","","","0.106","0.1088","","","","","","1.091","","","","has coordinates","235658","2020-10-21","18:00:00",""
"4037093","14.185","0.003","15.666","0.004","16.155","0.004","103.785","0.003","96.266","0.003","98.736","0.003","3406.4","1.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N8 O3 S -","- C32 H28 N8 O3 S -","- C128 H112 N32 O12 S4 -","4","2","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0683","0.061","","","0.156","0.1622","","","","","","1.104","","","","has coordinates","235659","2020-10-21","18:00:00",""
"4037094","7.8629","0.0005","17.9726","0.0009","27.3125","0.0013","90","","90","","90","","3859.7","0.4","291","2","291.15","","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C20 H15 Br N2 O4 -","- C20 H15 Br N2 O4 -","- C160 H120 Br8 N16 O32 -","8","2","","Qiu, Shuai; Lee, Richmond; Zhu, Bo; Coote, Michelle L.; Zhao, Xiaowei; Jiang, Zhiyong","Highly Enantio- and Diastereoselective [4 + 2] Cycloaddition of 5H-oxazol-4-ones with N-Maleimides.","The Journal of organic chemistry","2016","81","17","8061","8069","10.1021/acs.joc.6b01451","","x-ray","0.71073","MoKα","","0.1584","0.0866","","","0.2205","0.264","","","","","","1.035","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037095","8.5834","0.0014","10.076","0.002","11.212","0.002","76.303","0.016","67.953","0.016","65.886","0.016","816.3","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","1","","Zheng, Liyao; Bin, Yunhui; Wang, Yunpeng; Hua, Ruimao","Synthesis of Natural Product-like Polyheterocycles via One-Pot Cascade Oximation, C-H Activation, and Alkyne Annulation.","The Journal of organic chemistry","2016","81","19","8911","8919","10.1021/acs.joc.6b01460","","","0.71073","MoKα","","0.0719","0.0465","","","0.0879","0.1022","","","","","","1.041","","","","has coordinates","235661","2020-10-21","18:00:00",""
"4037096","12.537","0.004","7.148","0.003","15.862","0.003","90","","108.065","0.017","90","","1351.4","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Zheng, Liyao; Bin, Yunhui; Wang, Yunpeng; Hua, Ruimao","Synthesis of Natural Product-like Polyheterocycles via One-Pot Cascade Oximation, C-H Activation, and Alkyne Annulation.","The Journal of organic chemistry","2016","81","19","8911","8919","10.1021/acs.joc.6b01460","","","0.71073","MoKα","","0.0931","0.0514","","","0.0949","0.1083","","","","","","1.055","","","","has coordinates","235662","2020-10-21","18:00:00",""
"4037097","8.686","0.002","7.044","0.002","10.612","0.006","90","","91.27","0.03","90","","649.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H19 N O -","- C16 H19 N O -","- C32 H38 N2 O2 -","2","0.5","","Zheng, Liyao; Bin, Yunhui; Wang, Yunpeng; Hua, Ruimao","Synthesis of Natural Product-like Polyheterocycles via One-Pot Cascade Oximation, C-H Activation, and Alkyne Annulation.","The Journal of organic chemistry","2016","81","19","8911","8919","10.1021/acs.joc.6b01460","","","0.71073","MoKα","","0.0862","0.0534","","","0.1022","0.1165","","","","","","1.02","","","","has coordinates","235663","2020-10-21","18:00:00",""
"4037098","6.88256","0.00013","11.6354","0.0003","17.0068","0.0004","91.8992","0.0018","93.0309","0.0017","103.471","0.0018","1321.15","0.05","286.21","0.1","286.21","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","2","","Lai, Ting-Ting; Xie, Dan; Zhou, Cheng-He; Cai, Gui-Xin","Copper-Catalyzed Inter/Intramolecular N-Alkenylation of Benzimidazoles via Tandem Processes Involving Selectively Mild Iodination of sp<sup>3</sup> C-H Bond at α-Position of Ester.","The Journal of organic chemistry","2016","81","19","8806","8815","10.1021/acs.joc.6b01465","","x-ray","1.54184","CuKα","","0.0505","0.0483","","","0.1312","0.134","","","","","","1.024","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037099","11.346","0.003","20.72","0.006","8.864","0.003","90","","100.993","0.005","90","","2045.6","1.1","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Cl2 N -","- C26 H17 Cl2 N -","- C104 H68 Cl8 N4 -","4","1","","Thangaraj, Manikandan; Bhojgude, Sachin Suresh; Jain, Shailja; Gonnade, Rajesh G.; Biju, Akkattu T.","Selective Synthesis of N-Unsubstituted and N-Arylindoles by the Reaction of Arynes with Azirines.","The Journal of organic chemistry","2016","81","18","8604","8611","10.1021/acs.joc.6b01472","","","0.71073","MoKα","","0.1038","0.0662","","","0.1238","0.1386","","","","","","1.069","","","","has coordinates","235665","2020-10-21","18:00:00",""
"4037100","7.8272","0.0004","10.8142","0.0005","11.7984","0.0005","115.263","0.002","91.231","0.003","91.976","0.003","901.9","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 F6 N -","- C22 H13 F6 N -","- C44 H26 F12 N2 -","2","1","","Thangaraj, Manikandan; Bhojgude, Sachin Suresh; Jain, Shailja; Gonnade, Rajesh G.; Biju, Akkattu T.","Selective Synthesis of N-Unsubstituted and N-Arylindoles by the Reaction of Arynes with Azirines.","The Journal of organic chemistry","2016","81","18","8604","8611","10.1021/acs.joc.6b01472","","","0.71073","MoKα","","0.0921","0.0749","","","0.1967","0.2086","","","","","","1.065","","","","has coordinates,has disorder","235667","2020-10-21","18:00:00",""
"4037101","12.8411","0.001","6.8502","0.0005","14.7405","0.0011","90","","110.788","0.004","90","","1212.22","0.16","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H22 -","- C40 H22 -","- C80 H44 -","2","0.5","","Yuan, Bingxin; Zhuang, Junpeng; Kirmess, Kristopher M.; Bridgmohan, Chelsea N.; Whalley, Adam C.; Wang, Lichang; Plunkett, Kyle N.","Pentaleno[1,2-a:4,5']diacenaphthylenes: Uniquely Stabilized Pentalene Derivatives.","The Journal of organic chemistry","2016","81","18","8312","8318","10.1021/acs.joc.6b01480","","","1.54178","CuKα","","0.0549","0.0428","","","0.0949","0.1009","","","","","","1.09","","","","has coordinates","235668","2020-10-21","18:00:00",""
"4037102","27.402","0.0003","7.49537","0.00006","20.0684","0.0002","90","","111.423","0.0012","90","","3837.03","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 B F O3 -","- C23 H24 B F O3 -","- C184 H192 B8 F8 O24 -","8","2","","Struble, Mark D.; Guan, Liangyu; Siegler, Maxime A.; Lectka, Thomas","A C-F Bond Directed Diels-Alder Reaction.","The Journal of organic chemistry","2016","81","17","8087","8090","10.1021/acs.joc.6b01489","","","1.54178","CuKα","","0.0407","0.0403","","","0.1094","0.1099","","","","","","1.03","","","","has coordinates","235669","2020-10-21","18:00:00",""
"4037103","9.2797","0.0018","10.762","0.002","16.496","0.004","99.202","0.012","96.89","0.012","90.327","0.011","1614","0.6","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H16 B N O2 -","- C20 H16 B N O2 -","- C80 H64 B4 N4 O8 -","4","4","","Chapin, Brette M.; Metola, Pedro; Lynch, Vincent M.; Stanton, John F.; James, Tony D.; Anslyn, Eric V.","Structural and Thermodynamic Analysis of a Three-Component Assembly Forming ortho-Iminophenylboronate Esters.","The Journal of organic chemistry","2016","81","18","8319","8330","10.1021/acs.joc.6b01495","","","0.71073","MoKα","","0.208","0.1035","","","0.2246","0.2813","","","","","","1.006","","","","has coordinates","235670","2020-10-21","18:00:00",""
"4037104","22.508","0.003","15.8459","0.0017","26.254","0.004","90","","93.149","0.004","90","","9350","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H42 N2 O4.67 S -","- C31 H42 N2 O4.66667 S -","- C372 H504 N24 O56 S12 -","12","3","","Hato, Yoshio; Oonishi, Yoshihiro; Yamamoto, Yasunori; Nakajima, Kiyohiko; Sato, Yoshihiro","Stereoselective Construction of Spiro-Fused Tricyclic Frameworks by Sequential Reaction of Enynes, Imines, and Diazoalkenes with Rh(I) and Rh(II) Catalysts.","The Journal of organic chemistry","2016","81","17","7847","7854","10.1021/acs.joc.6b01502","","","1.54187","CuKα","","0.0771","0.0621","","","","0.1598","","","","","","0.713","","","","has coordinates","235671","2020-10-21","18:00:00",""
"4037105","7.1669","0.0004","7.6027","0.0004","13.8637","0.0008","94.992","0.004","92.691","0.004","93.826","0.004","749.8","0.07","372","2","372","2","","","","","","","","3","P 1","P 1","1","citreoviranol","(2'S,4'R6'S)-spiro[6,8-dimethoxyisochroman-1-one-3,6'-2'-methyloxan-4'-ol]","","- C15 H18 O6 -","- C7.5 H9 O3.5 -","- C30 H36 O14 -","4","4","","Quach, Rachelle; Furkert, Daniel P.; Brimble, Margaret A.","Total Synthesis of the Resorcyclic Acid Lactone Spiroketal Citreoviranol.","The Journal of organic chemistry","2016","81","18","8343","8350","10.1021/acs.joc.6b01503","","","0.71073","MoKα","","0.0614","0.0504","","","0.1203","0.1279","","","","","","1.024","","","","has coordinates","235672","2020-10-21","18:00:00",""
"4037106","19.68","0.005","46.734","0.011","6.8945","0.0017","90","","90","","90","","6341","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H36 Br2 S4 Si4 -","- C20 H36 Br2 S4 Si4 -","- C160 H288 Br16 S32 Si32 -","8","0.5","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0619","0.0389","","","0.0811","0.0887","","","","","","1.004","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037107","16.786","0.011","10.68","0.007","11.708","0.008","90","","101.359","0.012","90","","2058","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Br S3 Si2 -","- C14 H21 Br S3 Si2 -","- C56 H84 Br4 S12 Si8 -","4","1","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0566","0.0388","","","0.1092","0.1161","","","","","","1.033","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037108","32.516","0.007","10.235","0.002","11.456","0.002","90","","90","","90","","3812.6","1.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H20 S3 Si2 -","- C14 H20 S3 Si2 -","- C112 H160 S24 Si16 -","8","1","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.1233","0.0835","","","0.2045","0.2208","","","","","","1.101","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037109","20.362","0.006","9.842","0.003","19.635","0.006","90","","93.532","0.005","90","","3927","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 Br S3 Si2 -","- C14 H19 Br S3 Si2 -","- C112 H152 Br8 S24 Si16 -","8","1","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0582","0.0391","","","0.105","0.1115","","","","","","1.041","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037110","11.669","0.002","33.953","0.007","10.21","0.002","90","","90","","90","","4045.2","1.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H36 Cl0 O3 S7 Si4 -","- C28 H36 O3 S7 Si4 -","- C112 H144 O12 S28 Si16 -","4","0.5","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0963","0.0636","","","0.1597","0.1804","","","","","","1.085","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037111","9.8175","0.0005","5.365","0.0003","14.4448","0.0006","90","","97.206","0.003","90","","754.81","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O6 -","- C16 H19 N O6 -","- C32 H38 N2 O12 -","2","1","","Hoogenboom, Jorin; Lutz, Martin; Zuilhof, Han; Wennekes, Tom","Exploring the Chemistry of Bicyclic Isoxazolidines for the Multicomponent Synthesis of Glycomimetic Building Blocks.","The Journal of organic chemistry","2016","81","19","8826","8836","10.1021/acs.joc.6b01515","","","0.71073","MoKα","","0.0485","0.0351","","","0.0733","0.0783","","","","","","1.036","","","","has coordinates","235675","2020-10-21","18:00:00",""
"4037112","12.068","0.005","13.052","0.005","26.055","0.005","90","0.005","90","0.005","90","0.005","4104","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F N2 O2 S2 -","- C22 H19 F N2 O2 S2 -","- C176 H152 F8 N16 O16 S16 -","8","2","","Bhattacharyya, Aditya; Kavitha, C. V.; Ghorai, Manas K.","Stereospecific Synthesis of 2-Iminothiazolidines via Domino Ring-Opening Cyclization of Activated Aziridines with Aryl- and Alkyl Isothiocyanates.","The Journal of organic chemistry","2016","81","15","6433","6443","10.1021/acs.joc.6b01551","","","0.71073","MoKα","","0.0974","0.0723","","","0.1593","0.1712","","","","","","1.039","","","","has coordinates","235676","2020-10-21","18:00:00",""
"4037113","14.3343","0.0007","12.9414","0.0006","12.2133","0.0006","90","","114.134","0.001","90","","2067.6","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br N2 O2 S2 -","- C22 H19 Br N2 O2 S2 -","- C88 H76 Br4 N8 O8 S8 -","4","1","","Bhattacharyya, Aditya; Kavitha, C. V.; Ghorai, Manas K.","Stereospecific Synthesis of 2-Iminothiazolidines via Domino Ring-Opening Cyclization of Activated Aziridines with Aryl- and Alkyl Isothiocyanates.","The Journal of organic chemistry","2016","81","15","6433","6443","10.1021/acs.joc.6b01551","","","0.71073","MoKα","","0.0564","0.0377","","","0.0717","0.0772","","","","","","1.015","","","","has coordinates","235678","2020-10-21","18:00:00",""
"4037114","12.896","0.004","12.521","0.003","13.524","0.004","90","","91.004","0.01","90","","2183.4","1.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl2 N2 O2 S -","- C22 H20 Cl2 N2 O2 S -","- C88 H80 Cl8 N8 O8 S4 -","4","1","","Lu, Shuai; Zhu, Xinju; Li, Ke; Guo, Yu-Jing; Wang, Meng-Dan; Zhao, Xue-Mei; Hao, Xin-Qi; Song, Mao-Ping","Reactivity of p-Toluenesulfonylmethyl Isocyanide: Iron-Involved C-H Tosylmethylation of Imidazopyridines in Nontoxic Media.","The Journal of organic chemistry","2016","81","18","8370","8377","10.1021/acs.joc.6b01552","","","0.71073","MoKα","","0.1335","0.0823","","","0.2129","0.2338","","","","","","1.343","","","","has coordinates","235679","2020-10-21","18:00:00",""
"4037115","11.0146","0.0006","14.8262","0.0006","18.3192","0.001","78.356","0.004","88.04","0.005","83.47","0.004","2910.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C128 H120 N8 O16 S8 -","8","4","","Lu, Shuai; Zhu, Xinju; Li, Ke; Guo, Yu-Jing; Wang, Meng-Dan; Zhao, Xue-Mei; Hao, Xin-Qi; Song, Mao-Ping","Reactivity of p-Toluenesulfonylmethyl Isocyanide: Iron-Involved C-H Tosylmethylation of Imidazopyridines in Nontoxic Media.","The Journal of organic chemistry","2016","81","18","8370","8377","10.1021/acs.joc.6b01552","","x-ray","1.54184","CuKα","","0.0698","0.0496","","","0.1285","0.1442","","","","","","1.016","","","","has coordinates","235680","2020-10-21","18:00:00",""
"4037116","14.4027","0.0005","8.6895","0.0003","14.5915","0.0005","90","","108.076","0.001","90","","1736.03","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H38 F N O9 -","- C41 H38 F N O9 -","- C82 H76 F2 N2 O18 -","2","1","","Zhang, Jiaxing; Cao, Dongdong; Wang, Hongyu; Zheng, Changwu; Zhao, Gang; Shang, Yongjia","Enantioselective Construction of Spirocyclic Oxindoles via Tandem Michael/Michael Reactions Catalyzed by Multifunctional Quaternary Phosphonium Salt.","The Journal of organic chemistry","2016","81","21","10558","10568","10.1021/acs.joc.6b01553","","","1.54178","CuKα","","0.0288","0.0275","","","0.0709","0.0721","","","","","","1.031","","","","has coordinates","235681","2020-10-21","18:00:00",""
"4037117","9.9321","0.0005","14.6138","0.0007","13.9842","0.0007","90","","108.691","0.006","90","","1922.7","0.18","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Cl4 Co2 N4 -","- C36 H44 Cl4 Co2 N4 -","- C72 H88 Cl8 Co4 N8 -","2","0.5","","Xi, Tuo; Lu, Zhan","Cobalt-Catalyzed Hydrosilylation/Cyclization of 1,6-Enynes.","The Journal of organic chemistry","2016","81","19","8858","8866","10.1021/acs.joc.6b01555","","","0.71073","MoKα","","0.056","0.0385","","","0.082","0.0927","","","","","","1.05","","","","has coordinates","235682","2020-10-21","18:00:00",""
"4037118","18.373","0.0008","14.1963","0.0006","6.1767","0.0003","90","","90","","90","","1611.06","0.13","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Szostak, Roman; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Michal","Ground-State Distortion in N-Acyl-tert-butyl-carbamates (Boc) and N-Acyl-tosylamides (Ts): Twisted Amides of Relevance to Amide N-C Cross-Coupling.","The Journal of organic chemistry","2016","81","17","8091","8094","10.1021/acs.joc.6b01560","","","1.54178","CuKα","","0.0422","0.0404","","","0.1012","0.1024","","","","","","1.046","","","","has coordinates","235683","2020-10-21","18:00:00",""
"4037119","12.5517","0.0003","14.7684","0.0003","18.5336","0.0004","90","","90","","90","","3435.55","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C160 H136 N8 O24 S8 -","8","1","","Szostak, Roman; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Michal","Ground-State Distortion in N-Acyl-tert-butyl-carbamates (Boc) and N-Acyl-tosylamides (Ts): Twisted Amides of Relevance to Amide N-C Cross-Coupling.","The Journal of organic chemistry","2016","81","17","8091","8094","10.1021/acs.joc.6b01560","","","1.54178","CuKα","","0.0311","0.0285","","","0.075","0.0768","","","","","","1.061","","","","has coordinates","235684","2020-10-21","18:00:00",""
"4037120","11.5996","0.0002","17.8298","0.0003","10.5067","0.0002","90","","90.025","0.002","90","","2172.98","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 I N2 O -","- C22 H33 I N2 O -","- C88 H132 I4 N8 O4 -","4","1","","Branná, Petra; Černochová, Jarmila; Rouchal, Michal; Kulhánek, Petr; Babinský, Martin; Marek, Radek; Nečas, Marek; Kuřitka, Ivo; Vícha, Robert","Cooperative Binding of Cucurbit[n]urils and β-Cyclodextrin to Heteroditopic Imidazolium-Based Guests.","The Journal of organic chemistry","2016","81","20","9595","9604","10.1021/acs.joc.6b01564","","","0.71073","MoKα","","0.0179","0.017","","","0.0439","0.0441","","","","","","1.04","","","","has coordinates","235685","2020-10-21","18:00:00",""
"4037121","27.482","0.002","10.0377","0.0005","20.0803","0.0015","90","","124.255","0.011","90","","4578.4","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H36 N2 O4 S -","- C23 H36 N2 O4 S -","- C184 H288 N16 O32 S8 -","8","1","","Branná, Petra; Černochová, Jarmila; Rouchal, Michal; Kulhánek, Petr; Babinský, Martin; Marek, Radek; Nečas, Marek; Kuřitka, Ivo; Vícha, Robert","Cooperative Binding of Cucurbit[n]urils and β-Cyclodextrin to Heteroditopic Imidazolium-Based Guests.","The Journal of organic chemistry","2016","81","20","9595","9604","10.1021/acs.joc.6b01564","","","0.71073","MoKα","","0.0584","0.0373","","","0.0921","0.0956","","","","","","0.972","","","","has coordinates","235685","2020-10-21","18:00:00",""
"4037122","11.452","0.0011","11.8284","0.0011","23.988","0.002","90","","101.765","0.003","90","","3181.1","0.5","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B F2 N4 -","- C18 H13 B F2 N4 -","- C144 H104 B8 F16 N32 -","8","2","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","0.71073","MoKα","","0.0904","0.0441","","","0.0904","0.1089","","","","","","1.006","","","","has coordinates","235686","2020-10-21","18:00:00",""
"4037123","5.5417","0.0001","16.4181","0.0003","18.137","0.0004","90","","96.848","0.001","90","","1638.41","0.06","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B N4 O -","- C19 H17 B N4 O -","- C76 H68 B4 N16 O4 -","4","1","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","1.54178","CuKα","","0.0376","0.0356","","","0.0861","0.0879","","","","","","1.048","","","","has coordinates","235688","2020-10-21","18:00:00",""
"4037124","9.7748","0.0002","19.5968","0.0004","22.9745","0.0005","90","","99.182","0.001","90","","4344.48","0.16","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 B2 N14 -","- C50 H40 B2 N14 -","- C200 H160 B8 N56 -","4","1","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","1.54178","CuKα","","0.0485","0.0407","","","0.099","0.1039","","","","","","1.069","","","","has coordinates","235689","2020-10-21","18:00:00",""
"4037125","9.2268","0.0007","12.1805","0.0009","19.0861","0.0015","90","","90","","90","","2145","0.3","147","2","147","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 B Br F2 N4 -","- C24 H16 B Br F2 N4 -","- C96 H64 B4 Br4 F8 N16 -","4","1","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","0.71073","MoKα","","0.04","0.0278","","","0.0524","0.0554","","","","","","1.019","","","","has coordinates","235690","2020-10-21","18:00:00",""
"4037126","11.5796","0.0004","10.5928","0.0003","16.6027","0.0006","90","","96.501","0.003","90","","2023.4","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O3 -","- C21 H32 N2 O3 -","- C84 H128 N8 O12 -","4","2","","Osorio-Nieto, Urbano; Chamorro-Arenas, Delfino; Quintero, Leticia; Höpfl, Herbert; Sartillo-Piscil, Fernando","Transition Metal-Free Selective Double sp(3) C-H Oxidation of Cyclic Amines to 3-Alkoxyamine Lactams.","The Journal of organic chemistry","2016","81","18","8625","8632","10.1021/acs.joc.6b01566","","x-ray","0.71073","MoKα","","0.0506","0.0471","","","0.1174","0.1195","","","","","","1.107","","","","has coordinates","235691","2020-10-21","18:00:00",""
"4037127","10.8941","0.0005","8.3839","0.0004","11.321","0.0005","90","","99.104","0.004","90","","1020.98","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O3 -","- C21 H32 N2 O3 -","- C42 H64 N4 O6 -","2","1","","Osorio-Nieto, Urbano; Chamorro-Arenas, Delfino; Quintero, Leticia; Höpfl, Herbert; Sartillo-Piscil, Fernando","Transition Metal-Free Selective Double sp(3) C-H Oxidation of Cyclic Amines to 3-Alkoxyamine Lactams.","The Journal of organic chemistry","2016","81","18","8625","8632","10.1021/acs.joc.6b01566","","x-ray","0.71073","MoKα","","0.0422","0.0391","","","0.0844","0.0866","","","","","","1.081","","","","has coordinates","235692","2020-10-21","18:00:00",""
"4037128","8.8171","0.0006","8.8171","0.0006","42.31","0.003","90","","90","","90","","3289.2","0.4","97","2","97","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C15 H25 N O5 -","- C15 H25 N O5 -","- C120 H200 N8 O40 -","8","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.0615","0.0555","","","0.1267","0.13","","","","","","1.131","","","","has coordinates,has disorder","235694","2020-10-21","18:00:00",""
"4037129","8.9295","0.001","14.3156","0.0015","21.898","0.002","90","","93.139","0.004","90","","2795","0.5","97","2","97","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 F3 N O5 -","- C11 H16 F3 N O5 -","- C88 H128 F24 N8 O40 -","8","4","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1451","0.0924","","","0.2193","0.2483","","","","","","1.08","","","","has coordinates","235694","2020-10-21","18:00:00",""
"4037130","6.9029","0.0003","9.9051","0.0005","21.6344","0.0011","90","","90","","90","","1479.23","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 F3 N O5 -","- C12 H18 F3 N O5 -","- C48 H72 F12 N4 O20 -","4","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1254","0.0863","","","0.2209","0.2401","","","","","","1.52","","","","has coordinates,has disorder","235694","2020-10-21","18:00:00",""
"4037131","9.7482","0.0014","22.448","0.003","7.0961","0.0012","90","","90","","90","","1552.8","0.4","97","2","97","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 F3 N O5 -","- C13 H20 F3 N O5 -","- C52 H80 F12 N4 O20 -","4","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1214","0.0882","","","0.2271","0.2506","","","","","","1.045","","","","has coordinates","235694","2020-10-21","18:00:00",""
"4037132","10.963","0.0005","18.4513","0.0008","33.0607","0.0014","97.697","0.0016","97.8872","0.0016","100.97","0.0016","6414.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H78 N6 O8 -","- C76 H78 N6 O8 -","- C304 H312 N24 O32 -","4","2","","Schulze, Marcus; Philipp, Michael; Waigel, Waldemar; Schmidt, David; Würthner, Frank","Library of Azabenz-Annulated Core-Extended Perylene Derivatives with Diverse Substitution Patterns and Tunable Electronic and Optical Properties.","The Journal of organic chemistry","2016","81","18","8394","8405","10.1021/acs.joc.6b01573","","","1.54178","CuKα","","0.0895","0.0809","","","0.2239","0.2313","","","","","","1.065","","","","has coordinates,has disorder","235696","2020-10-21","18:00:00",""
"4037133","6.844","0.003","20.465","0.01","15.152","0.007","90","","98.215","0.008","90","","2100.4","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O7 -","- C23 H26 N2 O7 -","- C92 H104 N8 O28 -","4","1","","Türkmen, Yunus E; Gravel, Michel; Rawal, Viresh H.","Studies Directed toward the Synthesis of Aspidophytine: Construction of Its Perhydroquinoline Core.","The Journal of organic chemistry","2016","81","21","10454","10462","10.1021/acs.joc.6b01574","","","0.71073","MoKα","","0.0504","0.0455","","","0.1139","0.1167","","","","","","1.122","","","","has coordinates","235698","2020-10-21","18:00:00",""
"4037134","11.7545","0.0005","7.3182","0.0003","13.4982","0.0005","90","","107.737","0.002","90","","1105.94","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N8 O4 -","- C24 H24 N8 O4 -","- C48 H48 N16 O8 -","2","0.5","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","","0.71073","MoKα","","0.0488","0.0398","","","0.0947","0.0994","","","","","","1.044","","","","has coordinates","235699","2020-10-21","18:00:00",""
"4037135","20.7679","0.0004","9.58691","0.00017","23.2936","0.0005","90","","105.633","0.002","90","","4466.19","0.16","294","","294","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N9 -","- C21 H21 N9 -","- C168 H168 N72 -","8","1","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","x-ray","1.54184","CuKα","","0.0546","0.0481","","","0.1494","0.1569","","","","","","1.057","","","","has coordinates","235701","2020-10-21","18:00:00",""
"4037136","6.3635","0.0004","22.8369","0.0016","12.9558","0.0009","90","","95.1","0.006","90","","1875.3","0.2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N7 -","- C22 H21 N7 -","- C88 H84 N28 -","4","1","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","","0.71073","MoKα","","0.08","0.0501","","","0.1095","0.1295","","","","","","1.023","","","","has coordinates","235702","2020-10-21","18:00:00",""
"4037137","11.8431","0.0007","16.1181","0.0009","10.8078","0.0005","90","","93.181","0.005","90","","2059.9","0.19","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-((1-(tert-butyl)-1H-tetrazol-5-yl)(2-chloroquinolin-3-yl)methyl)aniline","","- C21 H21 Cl N6 -","- C21 H21 Cl N6 -","- C84 H84 Cl4 N24 -","4","1","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","x-ray","0.71073","MoKα","","0.0636","0.0422","","","0.0928","0.1043","","","","","","1.0335","","","","has coordinates","235703","2020-10-21","18:00:00",""
"4037138","9.3977","0.0016","14.478","0.003","17.17","0.003","68.007","0.005","79.865","0.005","75.921","0.005","2091.7","0.7","122","2","122","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H44 Br2 S8 -","- C42 H44 Br2 S8 -","- C84 H88 Br4 S16 -","2","2","","Mansø, Mads; Koole, Max; Mulder, Maarten; Olavarria-Contreras, Ignacio J; Andersen, Cecilie Lindholm; Jevric, Martyn; Broman, Søren Lindbæk; Kadziola, Anders; Hammerich, Ole; van der Zant, Herre S. J.; Nielsen, Mogens Brøndsted","Synthesis and Single-Molecule Conductances of Neutral and Cationic Indenofluorene-Extended Tetrathiafulvalenes: Kondo Effect Molecules.","The Journal of organic chemistry","2016","81","18","8406","8414","10.1021/acs.joc.6b01579","","","0.71073","MoKα","","0.2136","0.1124","","","0.2498","0.3145","","","","","","1.026","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4037139","15.739","0.007","6.567","0.003","16.007","0.007","90","","104.164","0.011","90","","1604.2","1.2","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H49 N O5 Si2 -","- C29 H49 N O5 Si2 -","- C58 H98 N2 O10 Si4 -","2","1","","Williams, David R.; Donnell, Andrew F.; Kammler, David C.; Ward, Sarah A.; Taylor, 4th, Levin","Studies of Azetidin-2-one as a Reactive Enolate Synthon of β-Alanine for Condensations with Aldehydes and Ketones.","The Journal of organic chemistry","2016","81","21","10463","10475","10.1021/acs.joc.6b01585","","","0.71073","MoKα","","0.3227","0.1099","","","0.2236","0.2695","","","","","","0.845","","","","has coordinates","235705","2020-10-21","18:00:00",""
"4037140","19.3196","0.0011","7.0712","0.0004","20.3849","0.0011","90","","110.116","0.001","90","","2615","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl N4 O3 S -","- C26 H33 Cl N4 O3 S -","- C104 H132 Cl4 N16 O12 S4 -","4","1","","Selvaraju, Manikandan; Dhole, Sandip; Sun, Chung-Ming","Three Component Divergent Reactions: Base-Controlled Amphiphilic Synthesis of Benzimidazole-Linked Thiazetidines and Fused Thiadiazines.","The Journal of organic chemistry","2016","81","19","8867","8875","10.1021/acs.joc.6b01586","","","0.71073","MoKα","","0.0432","0.033","","","0.0909","0.1026","","","","","","1.083","","","","has coordinates","235706","2020-10-21","18:00:00",""
"4037141","9.5462","0.0004","16.1174","0.0007","16.3038","0.0007","102.401","0.002","98.11","0.002","90.57","0.002","2423.37","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N4 O2 S -","- C26 H30 N4 O2 S -","- C104 H120 N16 O8 S4 -","4","2","","Selvaraju, Manikandan; Dhole, Sandip; Sun, Chung-Ming","Three Component Divergent Reactions: Base-Controlled Amphiphilic Synthesis of Benzimidazole-Linked Thiazetidines and Fused Thiadiazines.","The Journal of organic chemistry","2016","81","19","8867","8875","10.1021/acs.joc.6b01586","","","0.71073","MoKα","","0.1081","0.0612","","","0.1734","0.2197","","","","","","1.028","","","","has coordinates","235708","2020-10-21","18:00:00",""
"4037142","10.3634","0.0003","7.8244","0.0002","13.9755","0.0004","90","","110.811","0.001","90","","1059.3","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br N O3 -","- C27 H20 Br N O3 -","- C54 H40 Br2 N2 O6 -","2","1","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.0189","0.0176","","","0.0429","0.0432","","","","","","1.038","","","","has coordinates","235709","2020-10-21","18:00:00",""
"4037143","6.7332","0.0004","13.7973","0.0009","12.349","0.0008","90","","98.601","0.005","90","","1134.32","0.13","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","1","","","- C22 H21 Cl3 F N O4 -","- C22 H21 Cl3 F N O4 -","- C44 H42 Cl6 F2 N2 O8 -","2","1","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.0801","0.0642","","","0.1685","0.18","","","","","","1.044","","","","has coordinates","235711","2020-10-21","18:00:00",""
"4037144","6.3639","0.0002","8.9633","0.0002","17.8417","0.0005","78.27","0.001","81.768","0.001","71.215","0.001","940.07","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br N O4 -","- C22 H18 Br N O4 -","- C44 H36 Br2 N2 O8 -","2","1","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.0355","0.0279","","","0.0746","0.0857","","","","","","1.081","","","","has coordinates","235712","2020-10-21","18:00:00",""
"4037145","24.739","0.002","6.5307","0.0006","22.413","0.002","90","","90","","90","","3621.1","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 Cl N O3 -","- C22 H18 Cl N O3 -","- C176 H144 Cl8 N8 O24 -","8","2","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.1455","0.0578","","","0.1214","0.165","","","","","","0.944","","","","has coordinates","235713","2020-10-21","18:00:00",""
"4037146","32.0719","0.0007","9.2396","0.0002","20.2331","0.0004","90","","109.779","0.001","90","","5642","0.2","296","","296","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H30 N4 O3 -","- C33 H30 N4 O3 -","- C264 H240 N32 O24 -","8","2","","Zhu, Qiu-Ning; Zhang, Yu-Chen; Xu, Meng-Meng; Sun, Xiao-Xue; Yang, Xue; Shi, Feng","Enantioselective Construction of Tetrahydroquinolin-5-one-Based Spirooxindole Scaffold via an Organocatalytic Asymmetric Multicomponent [3 + 3] Cyclization.","The Journal of organic chemistry","2016","81","17","7898","7907","10.1021/acs.joc.6b01598","","","1.54178","CuKα","","0.0707","0.054","","","0.1393","0.1557","","","","","","1.005","","","","has coordinates","235715","2020-10-21","18:00:00",""
"4037147","10.3127","0.0007","15.4821","0.001","17.4751","0.001","90","","90","","90","","2790.1","0.3","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H32 N8 O8 -","- C30 H32 N8 O8 -","- C120 H128 N32 O32 -","4","0.5","","Lizal, Tomas; Ustrnul, Lukas; Necas, Marek; Sindelar, Vladimir","Propanediurea-Based Molecular Clips Bind Halide Anions: An Insight into the Mechanism of Cucurbituril Formation.","The Journal of organic chemistry","2016","81","19","8906","8910","10.1021/acs.joc.6b01602","","","0.71073","MoKα","","0.07","0.0351","","","0.068","0.0733","","","","","","0.883","","","","has coordinates","235717","2020-10-21","18:00:00",""
"4037148","12.7798","0.001","15.4587","0.0011","19.4909","0.0011","90","","90","","90","","3850.6","0.5","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H42.5 Cl6 N8 O6.25 -","- C34 H42 Cl6 N8 O6.25 -","- C136 H168 Cl24 N32 O25 -","4","0.5","","Lizal, Tomas; Ustrnul, Lukas; Necas, Marek; Sindelar, Vladimir","Propanediurea-Based Molecular Clips Bind Halide Anions: An Insight into the Mechanism of Cucurbituril Formation.","The Journal of organic chemistry","2016","81","19","8906","8910","10.1021/acs.joc.6b01602","","","0.71073","MoKα","","0.0678","0.0365","","","0.0783","0.0827","","","","","","0.874","","","","has coordinates","235718","2020-10-21","18:00:00",""
"4037149","7.7978","0.0018","12.383","0.003","15.345","0.004","90","","90","","90","","1481.7","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Dorel, Ruth; Echavarren, Antonio M.","Ready Access to the Echinopines Skeleton via Gold(I)-Catalyzed Alkoxycyclizations of Enynes.","The Journal of organic chemistry","2016","81","18","8444","8454","10.1021/acs.joc.6b01607","","","0.7107","MoKα","","0.0319","0.0303","","","0.0832","0.0846","","","","","","1.135","","","","has coordinates","235719","2020-10-21","18:00:00",""
"4037150","16.3707","0.0004","9.479","0.0002","11.3192","0.0003","90","","90","","90","","1756.49","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","Dorel, Ruth; Echavarren, Antonio M.","Ready Access to the Echinopines Skeleton via Gold(I)-Catalyzed Alkoxycyclizations of Enynes.","The Journal of organic chemistry","2016","81","18","8444","8454","10.1021/acs.joc.6b01607","","","0.7107","MoKα","","0.0355","0.0324","","","0.0866","0.088","","","","","","1.073","","","","has coordinates","235720","2020-10-21","18:00:00",""
"4037151","9.2535","0.0012","7.9107","0.0008","17.528","0.01","90","","104.79","0.03","90","","1240.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C56 H72 N8 O4 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.0706","0.0483","","","0.1109","0.1249","","","","","","1.038","","","","has coordinates","235721","2020-10-21","18:00:00",""
"4037152","14.2317","0.0008","8.1922","0.0004","15.0607","0.0007","90","","94.054","0.004","90","","1751.52","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.0763","0.0513","","","0.1209","0.1371","","","","","","1.036","","","","has coordinates","235722","2020-10-21","18:00:00",""
"4037153","7.7399","0.0002","11.9828","0.0003","15.8596","0.0004","90","","90","","90","","1470.91","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","1.54184","CuKα","","0.0351","0.0334","","","0.0891","0.0906","","","","","","1.068","","","","has coordinates","235723","2020-10-21","18:00:00",""
"4037154","10.3267","0.0002","16.3628","0.0004","23.168","0.0006","90","","90","","90","","3914.78","0.16","293","2","293","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C184 H200 N24 O16 -","8","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.1522","0.0994","","","0.1966","0.2497","","","","","","1.184","","","","has coordinates","235725","2020-10-21","18:00:00",""
"4037155","14.5243","0.0009","9.1341","0.0005","13.5926","0.0007","90","","103.748","0.006","90","","1751.62","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.0679","0.0474","","","0.1073","0.121","","","","","","1.044","","","","has coordinates","235727","2020-10-21","18:00:00",""
"4037156","13.1645","0.0003","18.243","0.0003","8.3056","0.0001","90","","104.309","0.002","90","","1932.79","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","1.54184","","","0.0584","0.0487","","","0.1311","0.1421","","","","","","1.042","","","","has coordinates","235729","2020-10-21","18:00:00",""
"4037157","10.5786","0.001","17.4231","0.0017","22.099","0.002","90","","90","","90","","4073.1","0.7","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H51 Cl N2 Pd -","- C51 H51 Cl N2 Pd -","- C204 H204 Cl4 N8 Pd4 -","4","1","","Kuriyama, Masami; Hamaguchi, Norihisa; Yano, Gemba; Tsukuda, Kotaro; Sato, Kanako; Onomura, Osamu","Deuterodechlorination of Aryl/Heteroaryl Chlorides Catalyzed by a Palladium/Unsymmetrical NHC System.","The Journal of organic chemistry","2016","81","19","8934","8946","10.1021/acs.joc.6b01609","","","0.71075","MoKα","","0.03","0.0271","","","0.0607","0.0671","","","","","","1.077","","","","has coordinates","235731","2020-10-21","18:00:00",""
"4037158","14.091","0.002","12.527","0.002","27.256","0.004","90","","92.128","0.003","90","","4807.9","1.2","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 Cl2 F6 N2 Pd Sb -","- C52 H46 Cl2 F6 N2 Pd Sb -","- C208 H184 Cl8 F24 N8 Pd4 Sb4 -","4","1","","Kuriyama, Masami; Hamaguchi, Norihisa; Yano, Gemba; Tsukuda, Kotaro; Sato, Kanako; Onomura, Osamu","Deuterodechlorination of Aryl/Heteroaryl Chlorides Catalyzed by a Palladium/Unsymmetrical NHC System.","The Journal of organic chemistry","2016","81","19","8934","8946","10.1021/acs.joc.6b01609","","","0.71075","MoKα","","0.0813","0.0638","","","0.1344","0.1451","","","","","","1.072","","","","has coordinates","235731","2020-10-21","18:00:00",""
"4037159","9.586","0.004","10.266","0.004","19.842","0.008","90","","90","","90","","1952.6","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br N O4 -","- C19 H24 Br N O4 -","- C76 H96 Br4 N4 O16 -","4","1","","Liu, Ye; Ren, Wei-Min; He, Ke-Ke; Zhang, Wen-Zhen; Li, Wen-Bing; Wang, Meng; Lu, Xiao-Bing","CO<sub>2</sub>-Mediated Formation of Chiral Carbamates from meso-Epoxides via Polycarbonate Intermediates.","The Journal of organic chemistry","2016","81","19","8959","8966","10.1021/acs.joc.6b01616","","","0.71073","MoKα","","0.0984","0.0438","","","0.0982","0.1171","","","","","","1.007","","","","has coordinates","235733","2020-10-21","18:00:00",""
"4037160","7.794","0.0004","10.8229","0.0005","22.0776","0.0014","90","","96.438","0.005","90","","1850.58","0.17","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C84 H88 O28 -","4","1","","Inman, Martyn; Carvalho, Catarina; Lewis, William; Moody, Christopher J.","Synthesis of the Reported Pyranonaphthoquinone Structure of the Indoleamine-2,3-dioxygenase Inhibitor Annulin B by Regioselective Diels-Alder Reaction.","The Journal of organic chemistry","2016","81","17","7924","7930","10.1021/acs.joc.6b01622","","x-ray","1.54184","CuKα","","0.0402","0.0371","","","0.0978","0.1","","","","","","1.044","","","","has coordinates","235735","2020-10-21","18:00:00",""
"4037161","13.4784","0.0009","10.3443","0.0007","10.47","0.0007","90","","97.12","0.006","90","","1448.52","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br O6 -","- C14 H13 Br O6 -","- C56 H52 Br4 O24 -","4","1","","Inman, Martyn; Carvalho, Catarina; Lewis, William; Moody, Christopher J.","Synthesis of the Reported Pyranonaphthoquinone Structure of the Indoleamine-2,3-dioxygenase Inhibitor Annulin B by Regioselective Diels-Alder Reaction.","The Journal of organic chemistry","2016","81","17","7924","7930","10.1021/acs.joc.6b01622","","x-ray","1.54184","CuKα","","0.0478","0.0441","","","0.1112","0.1136","","","","","","1.098","","","","has coordinates","235736","2020-10-21","18:00:00",""
"4037162","11.085","","12.4569","0.0004","13.1946","0.0006","82.61","0.012","78.913","0.013","66.044","0.009","1631.35","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H41 N2 O3 -","- C39 H41 N2 O3 -","- C78 H82 N4 O6 -","2","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71073","MoKα","","0.0936","0.0799","","","0.2384","0.2582","","","","","","1.075","","","","has coordinates","235737","2020-10-21","18:00:00",""
"4037163","9.8019","0.0003","10.9059","0.0004","14.889","0.003","88.7","0.04","76.55","0.04","65.55","0.03","1404.3","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 N2 O3 S -","- C34 H31 N2 O3 S -","- C68 H62 N4 O6 S2 -","2","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71075","MoKα","","0.1596","0.1065","","","0.2717","0.3112","","","","","","1.5759","","","","has coordinates","235739","2020-10-21","18:00:00",""
"4037164","13.9914","0.0006","9.7455","0.0004","19.645","0.0007","90","","93.161","0.003","90","","2674.58","0.19","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N O3 S -","- C31 H29 N O3 S -","- C124 H116 N4 O12 S4 -","4","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71073","MOKα","","0.147786","0.063522","","","","0.185048","","","","","","0.996549","","","","has coordinates","235740","2020-10-21","18:00:00",""
"4037165","8.8959","0.0005","11.9585","0.0007","13.9954","0.0013","89.79","0.009","85.921","0.007","78.734","0.008","1456.39","0.18","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N2 O3 -","- C36 H34 N2 O3 -","- C72 H68 N4 O6 -","2","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71073","MoKα","","0.071","0.0573","","","0.1565","0.1733","","","","","","1.08","","","","has coordinates","235742","2020-10-21","18:00:00",""
"4037166","8.62184","0.00014","15.212","0.0003","16.4772","0.0002","90","","90","","90","","2161.07","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O5 S2 -","- C23 H19 N O5 S2 -","- C92 H76 N4 O20 S8 -","4","1","","Jiao, Lihui; Bu, Liwei; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Catalytic Asymmetric Conjugate Addition and Sulfenylation of Diarylthiazolidin-2,4-diones.","The Journal of organic chemistry","2016","81","20","9620","9629","10.1021/acs.joc.6b01637","","x-ray","1.54184","CuKα","","0.0381","0.0348","","","0.0886","0.0913","","","","","","1.033","","","","has coordinates","235744","2020-10-21","18:00:00",""
"4037167","8.6723","0.0002","16.0081","0.0004","16.3709","0.0003","90","","90","","90","","2272.72","0.09","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O5 S -","- C24 H20 N2 O5 S -","- C96 H80 N8 O20 S4 -","4","1","","Jiao, Lihui; Bu, Liwei; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Catalytic Asymmetric Conjugate Addition and Sulfenylation of Diarylthiazolidin-2,4-diones.","The Journal of organic chemistry","2016","81","20","9620","9629","10.1021/acs.joc.6b01637","","","1.54184","CuKα","","0.0447","0.0378","","","0.0914","0.0958","","","","","","1.017","","","","has coordinates","235745","2020-10-21","18:00:00",""
"4037168","12.5052","0.0008","11.2594","0.0006","17.0731","0.0009","90","","102.914","0.002","90","","2343.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 O4 S2 -","- C27 H18 N2 O4 S2 -","- C108 H72 N8 O16 S8 -","4","1","","Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.","Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","18","8633","8646","10.1021/acs.joc.6b01646","","","0.71073","MoKα","","0.084","0.0549","","","0.1359","0.1628","","","","","","1.081","","","","has coordinates","235748","2020-10-21","18:00:00",""
"4037169","23.3663","0.0014","15.2047","0.001","34.53","0.003","90","","90","","90","","12267.7","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H25 N O4 S -","- C42 H25 N O4 S -","- C672 H400 N16 O64 S16 -","16","2","","Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.","Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","18","8633","8646","10.1021/acs.joc.6b01646","","","0.71073","MoKα","","0.114","0.0618","","","0.1124","0.1427","","","","","","1.228","","","","has coordinates,has disorder","287876","2023-11-30","07:26:55",""
"4037170","12.1347","0.0005","12.0708","0.0005","17.6391","0.0007","90","","108.617","0.002","90","","2448.5","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 N2 O5 S -","- C30 H18 N2 O5 S -","- C120 H72 N8 O20 S4 -","4","1","","Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.","Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","18","8633","8646","10.1021/acs.joc.6b01646","","","0.71073","MoKα","","0.0779","0.0425","","","0.1066","0.1312","","","","","","1.046","","","","has coordinates,has disorder","235751","2020-10-21","18:00:00",""
"4037171","14.2395","0.0014","17.3295","0.0017","18.5476","0.0018","74","0.003","68.894","0.003","76.175","0.003","4054.3","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N4 Si2 -","- C44 H52 N4 Si2 -","- C176 H208 N16 Si8 -","4","2","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1926","0.1186","","","0.2852","0.3145","","","","","","1.601","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037172","7.634","0.003","14.662","0.005","17.126","0.006","87.278","0.007","84.165","0.009","82.636","0.008","1890.1","1.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","- C84 H104 N4 Si4 -","2","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1288","0.0723","","","0.1675","0.1925","","","","","","1.111","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037173","36.272","0.008","7.413","0.0016","29.889","0.007","90","","94.279","0.005","90","","8014","3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 N2 Si2 -","- C46 H54 N2 Si2 -","- C368 H432 N16 Si16 -","8","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.088","0.0514","","","0.113","0.128","","","","","","1.019","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037174","13.744","0.012","17.701","0.015","19.206","0.016","104.207","0.019","90.814","0.017","97.893","0.019","4481","7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H56 N2 Si2 -","- C50 H56 N2 Si2 -","- C200 H224 N8 Si8 -","4","2","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.2939","0.2307","","","0.5188","0.5534","","","","","","1.127","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037175","8.241","0.003","14.201","0.005","17.856","0.006","68.71","0.008","80.696","0.008","74.394","0.008","1870.5","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 N4 S Si2 -","- C42 H50 N4 S Si2 -","- C84 H100 N8 S2 Si4 -","2","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1658","0.0838","","","0.1517","0.1893","","","","","","1.053","","","","has coordinates,has disorder","235755","2020-10-21","18:00:00",""
"4037176","17.83","0.002","19.068","0.002","13.5277","0.0016","90","","92.34","0.004","90","","4595.3","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H61 N4 Si2 -","- C51 H61 N4 Si2 -","- C204 H244 N16 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1384","0.0677","","","0.1685","0.2035","","","","","","1.015","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037177","8.8801","0.001","18.143","0.002","21.186","0.003","90","","96.813","0.002","90","","3389.2","0.7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 N2 Si2 -","- C37 H50 N2 Si2 -","- C148 H200 N8 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.0829","0.0557","","","0.1103","0.1278","","","","","","1.045","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037178","17.38","0.009","8.062","0.004","27.836","0.013","90","","104.082","0.011","90","","3783","3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 N2 Si2 -","- C41 H52 N2 Si2 -","- C164 H208 N8 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1246","0.0777","","","0.1928","0.2227","","","","","","1.043","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037179","7.369","0.004","12.752","0.007","37.432","0.019","90","","91.497","0.014","90","","3516","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 N4 S Si2 -","- C37 H48 N4 S Si2 -","- C148 H192 N16 S4 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.2248","0.1467","","","0.3441","0.3972","","","","","","1.104","","","","has coordinates,has disorder","235755","2020-10-21","18:00:00",""
"4037180","21.051","0.005","12.709","0.003","21.176","0.005","90","","95.281","0.004","90","","5641","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C288 H228 N36 O24 -","12","3","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Zhuang, Shi-Yi; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Double Cyclization: A One-pot, Metal-free Route to Synthesize Polyfunctional 4,9-Dihydropyrrolo[2,1-b]quinazolines.","The Journal of organic chemistry","2016","81","17","8104","8111","10.1021/acs.joc.6b01660","","","0.71073","MoKα","","0.0722","0.0512","","","0.1151","0.1265","","","","","","1.007","","","","has coordinates","235757","2020-10-21","18:00:00",""
"4037181","7.67729","0.00019","11.606","0.0003","18.358","0.0004","90","","98.515","0.002","90","","1617.72","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Galenko, Ekaterina E.; Galenko, Alexey V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Shakirova, Julia R.","Synthesis and Intramolecular Azo Coupling of 4-Diazopyrrole-2-carboxylates: Selective Approach to Benzo and Hetero [c]-Fused 6H-Pyrrolo[3,4-c]pyridazine-5-carboxylates.","The Journal of organic chemistry","2016","81","18","8495","8507","10.1021/acs.joc.6b01662","","x-ray","1.54184","CuKα","","0.0412","0.0377","","","0.0991","0.1032","","","","","","1.015","","","","has coordinates","235759","2020-10-21","18:00:00",""
"4037182","15.056","0.005","18.465","0.006","14.884","0.007","90","","113.188","0.005","90","","3804","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F3 N2 O2 -","- C22 H17 F3 N2 O2 -","- C176 H136 F24 N16 O16 -","8","1","","Zheng, Danqing; Liu, Tong; Liu, Xia; Fan, Xiaona; Wu, Jie","Route for the Generation of Trifluoromethyl-Substituted Pyrrplo[3,2-c]quinolines.","The Journal of organic chemistry","2016","81","19","9428","9432","10.1021/acs.joc.6b01669","","","0.71073","MoKα","","0.113","0.0552","","","0.1573","0.1895","","","","","","0.994","","","","has coordinates","235761","2020-10-21","18:00:00",""
"4037183","9.9929","0.0002","13.6834","0.0003","14.2187","0.0004","91.33","0.001","101.921","0.001","106.706","0.001","1814.91","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","2","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.0651","0.0411","","","0.1204","0.1484","","","","","","1.122","","","","has coordinates","235763","2020-10-21","18:00:00",""
"4037184","7.9748","0.0003","8.509","0.0004","13.9508","0.0006","78.351","0.001","78.914","0.001","75.957","0.001","889.17","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C50 H34 N2 O4 -","2","1","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.0401","0.0348","","","0.0917","0.0959","","","","","","1.072","","","","has coordinates","235764","2020-10-21","18:00:00",""
"4037185","27.1","0.004","7.4176","0.0012","6.8847","0.0011","90","","97.264","0.004","90","","1372.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F2 N3 -","- C17 H11 F2 N3 -","- C68 H44 F8 N12 -","4","1","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.1825","0.1715","","","0.466","0.4718","","","","","","1.091","","","","has coordinates","235766","2020-10-21","18:00:00",""
"4037186","26.157","0.002","7.4363","0.0005","6.8127","0.0005","90","","96.808","0.004","90","","1315.8","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.0715","0.0464","","","0.1145","0.1457","","","","","","1.09","","","","has coordinates","235767","2020-10-21","18:00:00",""
"4037187","8.6878","0.0005","11.5528","0.0007","13.1521","0.001","90.495","0.006","109.012","0.006","99.53","0.005","1228.05","0.15","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 F3 N3 O2 S -","- C28 H22 F3 N3 O2 S -","- C56 H44 F6 N6 O4 S2 -","2","1","","Li, Zhenmin; Zhou, Xiaorong; Lu, Ping; Wang, Yanguang","Preparation of 3-Aryl-2-aminoindoles via Rhodium-Catalyzed Coupling Reaction between 2-Arylpyridines and 3-Diazoindolin-2-imines.","The Journal of organic chemistry","2016","81","19","9433","9437","10.1021/acs.joc.6b01678","","","0.71073","MoKα","","0.0697","0.0548","","","0.131","0.1448","","","","","","1.043","","","","has coordinates","235769","2020-10-21","18:00:00",""
"4037188","20.393","0.0013","23.8095","0.0014","10.623","0.0006","90","","90","","90","","5158","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ethyl 4-(1-benzyl-1H-tetrazol-5-yl)-1-cyclohexyl-3-methylene-5-phenylpyrrolidine-2-carboxylate","","- C28 H33 N5 O2 -","- C28 H33 N5 O2 -","- C224 H264 N40 O16 -","8","2","","Cardoso, Ana L.; Henriques, Marta S. C.; Paixão, José A; Pinho E Melo, Teresa M V D","(1H-Tetrazol-5-yl)-Allenes: Building Blocks for Tetrazolyl Heterocycles.","The Journal of organic chemistry","2016","81","19","9028","9036","10.1021/acs.joc.6b01679","","","0.71073","MoKα","","0.1935","0.0626","","","0.1256","0.1713","","","","","","0.965","","","","has coordinates","235771","2020-10-21","18:00:00",""
"4037189","12.093","0.0003","21.491","0.0004","38.198","0.001","90","","90","","90","","9927.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (S/R)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","1.5418","CuKα","","0.1349","0.0692","","","0.1453","0.1787","","","","","","1.003","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037190","12.1588","0.0002","21.3462","0.0006","38.1695","0.0005","90","","90","","90","","9906.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (R/R)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","1.54184","CuKα","","0.1991","0.1704","","","0.4484","0.4841","","","","","","1.846","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037191","12.159","0.0002","21.391","0.0004","38.188","0.0004","90","","90","","90","","9932.4","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (R/S)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","x-ray","1.54184","CuKα","","0.1308","0.0956","","","0.2498","0.28","","","","","","1.047","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037192","12.284","","21.276","","38.207","","90","","90","","90","","9985.57","","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (S/S)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","0.71073","MoKα","","0.1324","0.1214","","","0.3325","0.355","","","","","","1.534","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037193","20.0572","0.0001","20.0572","0.0001","26.9244","0.0001","90","","90","","120","","9380.31","0.07","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C60 H75 N2 O6 -","- C60 H75 N2 O6 -","- C360 H450 N12 O36 -","6","1","","Xu, Wen-Qiang; Liu, Wen-Shan; Yan, Jiu-Xing; Ma, Shi-Kun; Guo, Jing; Liu, Jun-Min; Wang, Run-Ling; Li, Shao-Yong","An Approach to Optically Pure Bridging Chiral p-tert-Butylcalix[4]arenes through a Homologous Anionic Ortho-Fries Rearrangement.","The Journal of organic chemistry","2016","81","22","10683","10687","10.1021/acs.joc.6b01682","","","1.54178","CuKα","","0.0422","0.041","","","0.1158","0.1172","","","","","","1.043","","","","has coordinates,has disorder","235781","2020-10-21","18:00:00",""
"4037194","11.2573","0.0005","11.5352","0.0005","15.1073","0.0006","76.412","0.004","87.183","0.004","80.002","0.004","1877.82","0.14","100","1","100","1","","","","","","","","4","P -1","-P 1","2","HA-364-1","2-Benzyl 6-methyl (1R,4S,6S)-6-((2-isobutoxy-6-isobutylphenyl)carbamoyl)- 5-(4-methoxyphenethyl)-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate","","- C41 H50 N2 O7 -","- C41 H50 N2 O7 -","- C82 H100 N4 O14 -","2","1","","Abas, Hossay; Frampton, Christopher S.; Spivey, Alan C.","Diels-Alder Reactions of α-Amido Acrylates with N-Cbz-1,2-dihydropyridine and Cyclopentadiene.","The Journal of organic chemistry","2016","81","20","9947","9956","10.1021/acs.joc.6b01684","","","1.54184","CuKα","","0.0866","0.0763","","","0.2127","0.2231","","","","","","1.011","","","","has coordinates","235783","2020-10-21","18:00:00",""
"4037195","13.613","0.002","17.506","0.005","17.927","0.005","108.335","0.012","101.007","0.004","90.798","0.004","3968.1","1.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H98 B2 Cl F8 N5 O4 -","- C86 H98 B2 Cl F8 N5 O4 -","- C172 H196 B4 Cl2 F16 N10 O8 -","2","1","","Yamakado, Ryohei; Sato, Ryuma; Shigeta, Yasuteru; Maeda, Hiromitsu","Ion-Pairing Crystal Polymorphs of Interlocked [2 + 1]-Type Receptor-Anion Complexes.","The Journal of organic chemistry","2016","81","18","8530","8536","10.1021/acs.joc.6b01688","","","1.54187","CuKα","","0.0343","0.0305","","","0.0825","0.0841","","","","","","1.061","","","","has coordinates,has disorder","275195","2022-05-07","02:58:26",""
"4037196","16.0367","0.0018","18.5146","0.0019","27.063","0.003","90","","92.969","0.004","90","","8024.6","1.5","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H98 B2 Cl F8 N5 O4 -","- C86 H98 B2 Cl F8 N5 O4 -","- C344 H392 B8 Cl4 F32 N20 O16 -","4","1","","Yamakado, Ryohei; Sato, Ryuma; Shigeta, Yasuteru; Maeda, Hiromitsu","Ion-Pairing Crystal Polymorphs of Interlocked [2 + 1]-Type Receptor-Anion Complexes.","The Journal of organic chemistry","2016","81","18","8530","8536","10.1021/acs.joc.6b01688","","","1.54187","CuKα","","0.0398","0.034","","","0.1188","0.1252","","","","","","1.071","","","","has coordinates","275195","2022-05-07","02:58:26",""
"4037197","9.1382","0.0005","11.9472","0.0006","11.4848","0.0007","90","","97.094","0.006","90","","1244.26","0.12","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi","Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives.","The Journal of organic chemistry","2016","81","17","7931","7938","10.1021/acs.joc.6b01696","","","0.71073","MoKα","","0.0548","0.0389","","","0.0866","0.0954","","","","","","1.039","","","","has coordinates","235787","2020-10-21","18:00:00",""
"4037198","8.5662","0.0004","10.7642","0.0006","14.3417","0.0007","90","","90","","90","","1322.42","0.12","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi","Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives.","The Journal of organic chemistry","2016","81","17","7931","7938","10.1021/acs.joc.6b01696","","","0.71073","MoKα","","0.0445","0.0368","","","0.0735","0.0785","","","","","","1.084","","","","has coordinates","235787","2020-10-21","18:00:00",""
"4037199","12.6365","0.0008","8.5132","0.0004","12.1579","0.0008","90","","116.664","0.008","90","","1168.82","0.15","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi","Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives.","The Journal of organic chemistry","2016","81","17","7931","7938","10.1021/acs.joc.6b01696","","","0.71073","MoKα","","0.0644","0.0462","","","0.0987","0.111","","","","","","1.063","","","","has coordinates","235787","2020-10-21","18:00:00",""
"4037200","8.7384","0.0005","12.1279","0.0007","20.746","0.0011","90","","90","","90","","2198.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Br N O3 -","- C24 H26 Br N O3 -","- C96 H104 Br4 N4 O12 -","4","1","","Yang, Yang; Ma, Chaoqun; Thumar, Nilesh J.; Hu, Wenhao","Pd(II)/β-ICD-Cocatalyzed Asymmetric Route to Oxindole Scaffold via Cascade Reaction of Diazoacetamides and MBH-Carbonates.","The Journal of organic chemistry","2016","81","18","8537","8543","10.1021/acs.joc.6b01703","","","0.71073","MoKα","","0.0525","0.0359","","","0.0678","0.0745","","","","","","1.021","","","","has coordinates","235790","2020-10-21","18:00:00",""
"4037201","9.4241","0.0003","10.3964","0.0003","10.5946","0.0003","68.361","0.001","78.531","0.001","83.62","0.001","944.79","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C42 H40 Br2 N2 O6 -","2","1","","Yang, Yang; Ma, Chaoqun; Thumar, Nilesh J.; Hu, Wenhao","Pd(II)/β-ICD-Cocatalyzed Asymmetric Route to Oxindole Scaffold via Cascade Reaction of Diazoacetamides and MBH-Carbonates.","The Journal of organic chemistry","2016","81","18","8537","8543","10.1021/acs.joc.6b01703","","","0.71073","MoKα","","0.0433","0.0355","","","0.0977","0.1032","","","","","","1.052","","","","has coordinates","235792","2020-10-21","18:00:00",""
"4037202","9.49728","0.00011","21.3932","0.0002","6.35861","0.00009","90","","90","","90","","1291.92","0.03","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H16 N4 O4 -","- C10 H16 N4 O4 -","- C40 H64 N16 O16 -","4","1","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","1.54178","CuKα","","0.0289","0.0283","","","0.0757","0.0763","","","","","","1.046","","","","has coordinates","235794","2020-10-21","18:00:00",""
"4037203","9.44384","0.00014","6.72231","0.00009","10.34284","0.00017","90","","96.4986","0.0014","90","","652.39","0.017","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N4 O5 -","- C10 H16 N4 O5 -","- C20 H32 N8 O10 -","2","1","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","1.54178","CuKα","","0.0259","0.0251","","","0.0648","0.0657","","","","","","1.052","","","","has coordinates","235795","2020-10-21","18:00:00",""
"4037204","12.2766","0.0002","11.1657","0.0003","12.4961","0.0003","90","","99.727","0.002","90","","1688.3","0.07","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N4 O5 -","- C15 H20 N4 O5 -","- C60 H80 N16 O20 -","4","1","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","0.71073","MoKα","","0.0509","0.0437","","","0.1157","0.1199","","","","","","1.07","","","","has coordinates","235797","2020-10-21","18:00:00",""
"4037205","10.805","0.0003","11.4659","0.0003","13.3709","0.0004","111.885","0.003","90.695","0.002","93.75","0.002","1532.65","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N4 O3 -","- C14 H18 N4 O3 -","- C56 H72 N16 O12 -","4","2","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","1.54178","CuKα","","0.047","0.0404","","","0.1071","0.1125","","","","","","1.042","","","","has coordinates","235798","2020-10-21","18:00:00",""
"4037206","14.0313","0.0008","8.1798","0.0003","24.203","0.0013","90","","104.913","0.004","90","","2684.3","0.2","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","17,18-diacetyl-3,4,7,8,11,12-hexahydro-2,20:13,16-dietheno- 6,9-benzodioxacyclooctadecine-5,10-dione","","- C30 H30 O7 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","Wessig, Pablo; Czarnecki, Maciej; Badetko, Dominik; Schilde, Uwe; Kelling, Alexandra","Photochemical Synthesis of Both Strained and Macrocyclic (1,7)Naphthalenophanes.","The Journal of organic chemistry","2016","81","19","9147","9157","10.1021/acs.joc.6b01707","","","0.71073","MoKα","","0.0488","0.0381","","","0.1028","0.1076","","","","","","1.035","","","","has coordinates,has disorder","235800","2020-10-21","18:00:00",""
"4037207","8.552","0.0012","28.963","0.004","12.2072","0.0018","90","","109.547","0.002","90","","2849.4","0.7","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O4 -","- C35 H36 N2 O4 -","- C140 H144 N8 O16 -","4","1","","Tang, Zhongzhong; Liu, Zhiqiang; An, Yu; Jiang, Ruolan; Zhang, Xinglu; Li, Chunju; Jia, Xueshun; Li, Jian","Isocyanide-Based Multicomponent Bicyclization with Substituted Allenoate and Isatin: Synthesis of Unusual Spirooxindole Containing [5.5]-Fused Heterocycle.","The Journal of organic chemistry","2016","81","19","9158","9166","10.1021/acs.joc.6b01711","","","0.71073","MoKα","","0.0791","0.0579","","","0.1694","0.1891","","","","","","1.03","","","","has coordinates","235802","2020-10-21","18:00:00",""
"4037208","12.126","0.01","5.863","0.005","24.164","0.019","90","","103.359","0.013","90","","1671","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl N2 S -","- C20 H15 Cl N2 S -","- C80 H60 Cl4 N8 S4 -","4","1","","Ravi, Chitrakar; Reddy, N. Naresh Kumar; Pappula, Venkatanarayana; Samanta, Supravat; Adimurthy, Subbarayappa","Copper-Catalyzed Three-Component System for Arylsulfenylation of Imidazopyridines with Elemental Sulfur.","The Journal of organic chemistry","2016","81","20","9964","9972","10.1021/acs.joc.6b01715","","","0.71073","MoKα","","0.1208","0.089","","","0.1788","0.1906","","","","","","1.179","","","","has coordinates","235803","2020-10-21","18:00:00",""
"4037209","5.8776","0.0009","16.487","0.003","21.673","0.004","90","","90","0.003","90","","2100.2","0.6","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Fe N2 O4 S -","- C23 H22 Fe N2 O4 S -","- C92 H88 Fe4 N8 O16 S4 -","4","1","","Matsuda, Yukiko; Koizumi, Akihiro; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Ligand-Controlled Stereodivergent, Enantioselective Conjugate Addition of 2-Oxazoline- and 2-Thiazoline-4-carboxylate to Nitroalkene Catalyzed by Chiral Copper Complexes.","The Journal of organic chemistry","2016","81","17","7939","7944","10.1021/acs.joc.6b01722","","","0.71075","MoKα","","0.05","0.0457","","","0.0977","0.1009","","","","","","1.042","","","","has coordinates,has disorder","235805","2020-10-21","18:00:00",""
"4037210","10.261","0.002","9.2285","0.0018","11.932","0.003","90","","112.594","0.003","90","","1043.2","0.4","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H22 Fe N2 O4 S -","- C23 H22 Fe N2 O4 S -","- C46 H44 Fe2 N4 O8 S2 -","2","1","","Matsuda, Yukiko; Koizumi, Akihiro; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Ligand-Controlled Stereodivergent, Enantioselective Conjugate Addition of 2-Oxazoline- and 2-Thiazoline-4-carboxylate to Nitroalkene Catalyzed by Chiral Copper Complexes.","The Journal of organic chemistry","2016","81","17","7939","7944","10.1021/acs.joc.6b01722","","","0.71075","MoKα","","0.037","0.0302","","","0.0662","0.0682","","","","","","0.996","","","","has coordinates","235806","2020-10-21","18:00:00",""
"4037211","18.17","0.017","4.534","0.004","19.969","0.018","90","","90","","90","","1645","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Huang, Zhi-You; Yang, Jing-Fang; Song, Ke; Chen, Qian; Zhou, Shao-Lin; Hao, Ge-Fei; Yang, Guang-Fu","One-Pot Approach to N-Quinolyl 3'/4'-Biaryl Carboxamides by Microwave-Assisted Suzuki-Miyaura Coupling and N-Boc Deprotection.","The Journal of organic chemistry","2016","81","20","9647","9657","10.1021/acs.joc.6b01725","","","0.71073","MoKα","","0.1047","0.0685","","","0.1883","0.2385","","","","","","1.051","","","","has coordinates","235808","2020-10-21","18:00:00",""
"4037212","7.361","0.002","7.922","0.002","15.443","0.005","93.97","0.03","103.51","0.03","107.9","0.03","823.5","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C44 H32 N4 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.1078","0.0607","","","0.1444","0.1626","","","","","","0.898","","","","has coordinates,has disorder","235811","2020-10-21","18:00:00",""
"4037213","7.011","0.002","8.377","0.002","15.363","0.005","100.03","0.03","94.52","0.03","105.83","0.03","847.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C44 H32 N4 O4 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.1948","0.0749","","","0.1454","0.1759","","","","","","0.846","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037214","19.946","0.006","13.024","0.004","18.084","0.006","90","","120.95","0.03","90","","4029","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C216 H160 N16 O16 -","8","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.0529","0.0442","","","0.1239","0.1288","","","","","","1.107","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037215","7.284","0.002","9.238","0.003","14.084","0.005","97.6","0.03","91.2","0.03","109.8","0.04","881.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","1.5418","CuKα","","0.1731","0.0748","","","0.1437","0.1582","","","","","","0.934","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037216","7.668","0.003","11.842","0.004","13.298","0.005","92.89","0.03","93.77","0.03","104.73","0.04","1162.5","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C60 H50 N2 O4 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.1013","0.0717","","","0.1797","0.2112","","","","","","1.026","","","","has coordinates,has disorder","235811","2020-10-21","18:00:00",""
"4037217","15.996","0.005","6.903","0.002","17.091","0.006","90","","105.9","0.03","90","","1815","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 -","- C24 H16 N2 O2 -","- C96 H64 N8 O8 -","4","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","1.5418","CuKα","","0.099","0.067","","","0.17","0.1847","","","","","","0.884","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037218","11.106","0.0005","10.7491","0.0005","23.3289","0.0011","90","","90","","90","","2785","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C112 H152 N8 O32 -","8","1","","Rit, Raja K.; Ghosh, Koushik; Mandal, Rajib; Sahoo, Akhila K.","Ruthenium-Catalyzed Intramolecular Hydroarylation of Arenes and Mechanistic Study: Synthesis of Dihydrobenzofurans, Indolines, and Chromans.","The Journal of organic chemistry","2016","81","18","8552","8560","10.1021/acs.joc.6b01734","","","0.71073","MoKα","","0.0401","0.0377","","","0.1016","0.1038","","","","","","1.053","","","","has coordinates","235814","2020-10-21","18:00:00",""
"4037219","10.6905","0.0012","7.8348","0.0009","11.618","0.0013","90","","102.791","0.002","90","","948.95","0.19","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C40 H50 N2 O8 -","2","1","","Wang, Yu; Jiang, Chen-Min; Li, Hong-Liang; He, Fu-Sheng; Luo, Xiaoyan; Deng, Wei-Ping","Regioselective Iodine-Catalyzed Construction of Polysubstituted Pyrroles from Allenes and Enamines.","The Journal of organic chemistry","2016","81","18","8653","8658","10.1021/acs.joc.6b01737","","","0.71073","MoKα","","0.0489","0.0354","","","0.0878","0.0963","","","","","","1.047","","","","has coordinates","235815","2020-10-21","18:00:00",""
"4037220","8.962","0.009","7.654","0.007","11.568","0.012","90","","101.058","0.009","90","","778.8","1.3","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H11 Br N O5 S -","- C15 H11 Br N O5 S -","- C30 H22 Br2 N2 O10 S2 -","2","1","","Jia, Chun-Man; Zhang, Heng-Xia; Nie, Jing; Ma, Jun-An","Catalytic Asymmetric Decarboxylative Mannich Reaction of Malonic Acid Half Esters with Cyclic Aldimines: Access to Chiral β-Amino Esters and Chroman-4-amines.","The Journal of organic chemistry","2016","81","18","8561","8569","10.1021/acs.joc.6b01750","","","0.71073","MoKα","","0.0984","0.0897","","","0.2725","0.2784","","","","","","1.096","","","","has coordinates","235817","2020-10-21","18:00:00",""
"4037221","7.2107","0.0007","14.9108","0.0014","16.2218","0.0015","115.006","0.004","90.24","0.004","100.357","0.004","1548.6","0.3","159","2","159.14","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","2","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.0967","0.0776","","","0.2056","0.2206","","","","","","1.0717","","","","has coordinates","235819","2020-10-21","18:00:00",""
"4037222","8.6317","0.0007","14.0216","0.0016","16.5617","0.0018","90","","96.618","0.003","90","","1991.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","x-ray","0.71073","MoKα","","0.0909","0.0488","","","0.1087","0.1266","","","","","","1.021","","","","has coordinates","235820","2020-10-21","18:00:00",""
"4037223","9.1126","0.0007","10.0605","0.0007","22.4378","0.0017","90","","92.334","0.003","90","","2055.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F3 N2 O3 -","- C21 H23 F3 N2 O3 -","- C84 H92 F12 N8 O12 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","x-ray","0.71073","MoKα","","0.1544","0.1131","","","0.3168","0.3446","","","","","","1.172","","","","has coordinates","235822","2020-10-21","18:00:00",""
"4037224","8.5362","0.0007","16.2261","0.0012","14.2507","0.0012","90","","90.684","0.003","90","","1973.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N2 O2 -","- C20 H22 Cl N2 O2 -","- C80 H88 Cl4 N8 O8 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.1895","0.0767","","","0.1595","0.1948","","","","","","1.0964","","","","has coordinates,has disorder","235823","2020-10-21","18:00:00",""
"4037225","8.4093","0.0005","15.7964","0.001","14.3323","0.0009","90","","93.2","0.003","90","","1900.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F N2 O2 -","- C20 H22 F N2 O2 -","- C80 H88 F4 N8 O8 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.1408","0.0649","","","0.137","0.1647","","","","","","1.0603","","","","has coordinates,has disorder","235825","2020-10-21","18:00:00",""
"4037226","14.1543","0.0006","10.7829","0.0005","27.2987","0.0011","90","","103.799","0.001","90","","4046.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl N2 O2 -","- C22 H25 Cl N2 O2 -","- C176 H200 Cl8 N16 O16 -","8","2","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.0585","0.044","","","0.1325","0.1448","","","","","","0.992","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4037227","6.0753","0.0002","8.4967","0.0004","25.3797","0.0012","90","","90","","90","","1310.1","0.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br Cl N2 -","- C13 H12 Br Cl N2 -","- C52 H48 Br4 Cl4 N8 -","4","1","","Abudu Rexit, Abulikemu; Luo, Shiwei; Mailikezati, Maihemuti","Chiral Phosphoric Acid-Catalyzed Enantioselective Reductive Amination of 2-Pyridyl Ketones: Construction of Structurally Chiral Pyridine-Based Ligands.","The Journal of organic chemistry","2016","81","22","11384","11388","10.1021/acs.joc.6b01772","","","0.71073","MoKα","","0.0617","0.0375","","","0.0651","0.0738","","","","","","1.064","","","","has coordinates","235829","2020-10-21","18:00:00",""
"4037228","14.4232","0.0008","10.4715","0.0007","17.3666","0.0013","90","","90","","90","","2622.9","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H15 N -","- C18 H15 N -","- C144 H120 N8 -","8","2","","Yang, Ziqi; Lu, Ning; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Duan, Haifeng; Lin, Yingjie","Base-Promoted Intermolecular Cyclization of Substituted 3-Aryl(Heteroaryl)-3-chloroacrylaldehydes and Tetrahydroisoquinolines: An Approach to Access Pyrrolo[2,1-a]isoquinolines.","The Journal of organic chemistry","2016","81","23","11950","11955","10.1021/acs.joc.6b01781","","","0.71073","MoKα","","0.0519","0.0364","","","0.0891","0.0987","","","","","","1.055","","","","has coordinates,has disorder","235831","2020-10-21","18:00:00",""
"4037229","8.307","0.005","10.097","0.006","11.253","0.007","74.012","0.014","77.182","0.013","70.798","0.014","847.9","0.9","297","1","297","1","","","","","","","","3","P -1","-P 1","2","","3-phenyl-1-(piperidin-1-yl)octahydroindolizine","","- C19 H28 N2 -","- C19 H28 N2 -","- C38 H56 N4 -","2","1","","Albaladejo, María José; González-Soria, María José; Alonso, Francisco","Synthesis of Aminoindolizidines through the Chemoselective and Diastereoselective Catalytic Hydrogenation of Indolizines.","The Journal of organic chemistry","2016","81","20","9707","9717","10.1021/acs.joc.6b01782","","","0.71073","MoKα","","0.0909","0.05","","","0.113","0.1341","","","","","","1.026","","","","has coordinates","235833","2020-10-21","18:00:00",""
"4037230","16.4628","0.0012","6.9001","0.0005","18.9585","0.0019","90","","111.283","0.004","90","","2006.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C24 H25.5 Cl1.5 O -","- C24 H26.5 Cl1.5 O -","- C96 H106 Cl6 O4 -","4","1","","Ye, Qun; Zhang, Zhen; Png, Zhuang Mao; Neo, Wei Teng; Lin, Tingting; Zeng, Huining; Xu, Hui; Xu, Jianwei","Cyclization of Tetraaryl-Substituted Benzoquinones and Hydroquinones through the Scholl Reaction.","The Journal of organic chemistry","2016","81","19","9219","9226","10.1021/acs.joc.6b01785","","","1.54178","CuKα","","0.1929","0.0995","","","0.2515","0.2823","","","","","","1.026","","","","has coordinates,has disorder","235835","2020-10-21","18:00:00",""
"4037231","11.133","0.003","12.927","0.003","25.645","0.006","90","","90","","90","","3690.7","1.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 N O7 S -","- C41 H43 N O7 S -","- C164 H172 N4 O28 S4 -","4","1","","Harit, Vimal Kant; Ramesh, Namakkal G.","A Chiron Approach to Diversity-Oriented Synthesis of Aminocyclitols, (-)-Conduramine F-4 and Polyhydroxyaminoazepanes from a Common Precursor.","The Journal of organic chemistry","2016","81","23","11574","11586","10.1021/acs.joc.6b01790","","","0.71073","MoKα","","0.1134","0.0636","","","0.091","0.1032","","","","","","1.029","","","","has coordinates","235836","2020-10-21","18:00:00",""
"4037232","9.2191","0.0003","6.1121","0.0002","16.3411","0.0006","90","","90.496","0.002","90","","920.75","0.05","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C38 H48 N4 O12 -","2","1","","Kassir, Ahmad F.; Ragab, Sherif S.; Nguyen, Thao A. M.; Charnay-Pouget, Florence; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J.","Synthetic Access to All Four Stereoisomers of Oxetin.","The Journal of organic chemistry","2016","81","20","9983","9991","10.1021/acs.joc.6b01795","","x-ray","1.54178","CuKα","","0.0694","0.0534","","","0.102","0.1081","","","","","","1.048","","","","has coordinates","235838","2020-10-21","18:00:00",""
"4037233","7.1423","0.0003","10.4505","0.0005","25.2828","0.0011","90","","90","","90","","1887.12","0.15","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","","Kassir, Ahmad F.; Ragab, Sherif S.; Nguyen, Thao A. M.; Charnay-Pouget, Florence; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J.","Synthetic Access to All Four Stereoisomers of Oxetin.","The Journal of organic chemistry","2016","81","20","9983","9991","10.1021/acs.joc.6b01795","","x-ray","0.71073","MoKα","","0.0392","0.0347","","","0.0811","0.0832","","","","","","1.056","","","","has coordinates","235839","2020-10-21","18:00:00",""
"4037234","12.359","0.002","9.5073","0.0015","18.697","0.003","90","","105.044","0.003","90","","2121.6","0.6","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 Cl2 N Pt -","- C21 H27 Cl2 N Pt -","- C84 H108 Cl8 N4 Pt4 -","4","2","","Igawa, Kazunobu; Machida, Kouhei; Noguchi, Kyouhei; Uehara, Kazuhiro; Tomooka, Katsuhiko","Synthesis and Stereochemical Analysis of Planar-Chiral (E)-4-[7]Orthocyclophene.","The Journal of organic chemistry","2016","81","23","11587","11593","10.1021/acs.joc.6b01799","","","0.71075","MoKα","","0.0375","0.0295","","","0.0591","0.061","","","","","","0.748","","","","has coordinates","235841","2020-10-21","18:00:00",""
"4037235","12.232","0.005","8.022","0.005","35.84","0.005","90","0.005","90","0.005","90","0.005","3517","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O2 S3 -","- C19 H14 O2 S3 -","- C152 H112 O16 S24 -","8","1","","Koley, Suvajit; Chanda, Tanmoy; Samai, Subhasis; Singh, Maya Shankar","Switching Selectivity of α-Enolic Dithioesters: One Pot Access to Functionalized 1,2- and 1,3-Dithioles.","The Journal of organic chemistry","2016","81","23","11594","11602","10.1021/acs.joc.6b01802","","","0.71073","MoKα","","0.2886","0.084","","","0.1516","0.2472","","","","","","0.904","","","","has coordinates","235844","2020-10-21","18:00:00",""
"4037236","7.5233","0.0011","13.4451","0.0014","10.8452","0.0012","90","","104.929","0.013","90","","1060","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 O S3 -","- C10 H8 O S3 -","- C40 H32 O4 S12 -","4","1","","Koley, Suvajit; Chanda, Tanmoy; Samai, Subhasis; Singh, Maya Shankar","Switching Selectivity of α-Enolic Dithioesters: One Pot Access to Functionalized 1,2- and 1,3-Dithioles.","The Journal of organic chemistry","2016","81","23","11594","11602","10.1021/acs.joc.6b01802","","","0.71073","MoKα","","0.1166","0.0827","","","0.2057","0.2298","","","","","","1.036","","","","has coordinates","235845","2020-10-21","18:00:00",""
"4037237","8.804","0.001","21.251","0.004","17.142","0.004","90","","117.382","0.011","90","","2847.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,4,5-triaryl-benzonitrile","4-(2,4-Dimethoxyphen-1-yl)-5-(4-methoxyphen-1-yl) -3-methylsulfanyl-6-(naphthalen-1-yl)benzo-2-carbonitrile","","- C34 H29 N O3 S -","- C34 H29 N O3 S -","- C136 H116 N4 O12 S4 -","4","1","","Goel, Atul; Kumar, Vijay; Hemberger, Yasmin; Singh, Fateh V.; Nag, Pankaj; Knauer, Michael; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas Ranjan; Bringmann, Gerhard","Rotationally Hindered Biphenyls and Terphenyls: Synthesis, Molecular Dynamics, and Configurational Assignment.","The Journal of organic chemistry","2016","81","22","10721","10732","10.1021/acs.joc.6b01804","","","0.71073","MoKα","","0.1438","0.0679","","","0.1673","0.1997","","","","","","1.051","","","","has coordinates","235847","2020-10-21","18:00:00",""
"4037238","10.933","0.005","19.878","0.008","9.767","0.004","90","","97.907","0.006","90","","2102.4","1.5","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl2 N3 O S -","- C23 H17 Cl2 N3 O S -","- C92 H68 Cl8 N12 O4 S4 -","4","1","","Reddy, Chennakesava; Bisht, Narendra; Parella, Ramarao; Babu, Srinivasarao Arulananda","4-Amino-2,1,3-benzothiadiazole as a Removable Bidentate Directing Group for the Pd(II)-Catalyzed Arylation/Oxygenation of sp<sup>2</sup>/sp<sup>3</sup> β-C-H Bonds of Carboxamides.","The Journal of organic chemistry","2016","81","24","12143","12168","10.1021/acs.joc.6b01831","","","0.71073","MoKα","","0.1083","0.0871","","","0.274","0.295","","","","","","1.098","","","","has coordinates","235849","2020-10-21","18:00:00",""
"4037239","10.5783","0.0018","11.7721","0.0014","16.068","0.003","90","","104.864","0.007","90","","1934","0.5","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O3 S -","- C22 H17 N3 O3 S -","- C88 H68 N12 O12 S4 -","4","1","","Reddy, Chennakesava; Bisht, Narendra; Parella, Ramarao; Babu, Srinivasarao Arulananda","4-Amino-2,1,3-benzothiadiazole as a Removable Bidentate Directing Group for the Pd(II)-Catalyzed Arylation/Oxygenation of sp<sup>2</sup>/sp<sup>3</sup> β-C-H Bonds of Carboxamides.","The Journal of organic chemistry","2016","81","24","12143","12168","10.1021/acs.joc.6b01831","","","0.71075","MoKα","","0.1582","0.0731","","","0.1681","0.2138","","","","","","1.03","","","","has coordinates","235851","2020-10-21","18:00:00",""
"4037240","17.92","0.007","6.022","0.002","15.745","0.006","90","","99.297","0.006","90","","1676.8","1.1","98","","98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Marichev, Kostiantyn O.; Qiu, Huang; Offield, Austin C.; Arman, Hadi; Doyle, Michael P.","Catalyst-Free Rearrangement of Allenyl Aryldiazoacetates into 1,5-Dihydro-4H-pyrazol-4-ones.","The Journal of organic chemistry","2016","81","19","9235","9246","10.1021/acs.joc.6b01833","","","0.71073","MoKα","","0.1161","0.0785","","","0.1501","0.1761","","","","","","1.015","","","","has coordinates","235853","2020-10-21","18:00:00",""
"4037241","6.727","0.009","23.55","0.03","9.86","0.013","90","","90","","90","","1562","4","98","","98","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Marichev, Kostiantyn O.; Qiu, Huang; Offield, Austin C.; Arman, Hadi; Doyle, Michael P.","Catalyst-Free Rearrangement of Allenyl Aryldiazoacetates into 1,5-Dihydro-4H-pyrazol-4-ones.","The Journal of organic chemistry","2016","81","19","9235","9246","10.1021/acs.joc.6b01833","","","0.71075","MoKα","","0.1259","0.09","","","0.1652","0.1984","","","","","","1.039","","","","has coordinates","235854","2020-10-21","18:00:00",""
"4037242","7.832","0.004","10.744","0.005","12.557","0.006","112.171","0.006","97.626","0.007","105.108","0.006","912.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 F N O3 -","- C21 H20 F N O3 -","- C42 H40 F2 N2 O6 -","2","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1064","0.0601","","","0.143","0.1586","","","","","","0.902","","","","has coordinates","235856","2020-10-21","18:00:00",""
"4037243","8.567","0.005","11.294","0.006","11.868","0.006","87.148","0.007","80.145","0.006","81.838","0.007","1119.5","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C50 H58 N2 O6 -","2","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1135","0.089","","","0.2439","0.2627","","","","","","0.954","","","","has coordinates,has disorder","235856","2020-10-21","18:00:00",""
"4037244","9.181","0.009","11.85","0.011","14.065","0.013","100.841","0.016","93.205","0.016","101.852","0.016","1464","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H39 N O5 -","- C32 H39 N O5 -","- C64 H78 N2 O10 -","2","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1583","0.0798","","","0.2334","0.3205","","","","","","0.975","","","","has coordinates,has disorder","235856","2020-10-21","18:00:00",""
"4037245","12.985","0.007","4.03","0.002","32.768","0.017","90","","90.063","0.007","90","","1714.7","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1032","0.0605","","","0.1319","0.1477","","","","","","0.91","","","","has coordinates","235856","2020-10-21","18:00:00",""
"4037246","19.146","0.014","7.452","0.006","12.716","0.009","90","","104.661","0.015","90","","1755","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H25 N O2 Si -","- C17 H25 N O2 Si -","- C68 H100 N4 O8 Si4 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1056","0.0564","","","0.0922","0.1075","","","","","","1.032","","","","has coordinates","235858","2020-10-21","18:00:00",""
"4037247","19.901","0.011","9.308","0.005","10.561","0.006","90","","102.818","0.015","90","","1907.6","1.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.2104","0.0972","","","0.217","0.2853","","","","","","0.967","","","","has coordinates","235860","2020-10-21","18:00:00",""
"4037248","7.1377","0.001","12.326","0.0018","18.63","0.003","90","","94.224","0.009","90","","1634.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 Si -","- C16 H23 N O2 Si -","- C64 H92 N4 O8 Si4 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1242","0.0815","","","0.183","0.2029","","","","","","1.079","","","","has coordinates","235861","2020-10-21","18:00:00",""
"4037249","26.426","0.012","26.426","0.012","7.039","0.004","90","","90","","120","","4257","4","200","2","200","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C20 H23 N O2 Si -","- C20 H23 N O2 Si -","- C180 H207 N9 O18 Si9 -","9","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.2455","0.0744","","","0.0799","0.1087","","","","","","0.968","","","","has coordinates","235862","2020-10-21","18:00:00",""
"4037250","11.211","0.01","12.349","0.011","12.562","0.011","109.016","0.018","90.043","0.017","101.568","0.017","1607","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 N O2 Si -","- C16 H23 N O2 Si -","- C64 H92 N4 O8 Si4 -","4","2","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1585","0.1046","","","0.2574","0.2993","","","","","","1.003","","","","has coordinates","235864","2020-10-21","18:00:00",""
"4037251","17.6278","0.001","8.0278","0.0005","12.3398","0.0007","90","","104.078","0.004","90","","1693.79","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O2 Si -","- C17 H25 N O2 Si -","- C68 H100 N4 O8 Si4 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1083","0.0579","","","0.1027","0.1191","","","","","","0.993","","","","has coordinates","235865","2020-10-21","18:00:00",""
"4037252","7.729","0.015","7.756","0.014","12.5","0.03","88.7","0.07","77.13","0.08","87.28","0.07","730","3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.2611","0.1106","","","0.2474","0.3285","","","","","","0.994","","","","has coordinates","235867","2020-10-21","18:00:00",""
"4037253","7.723","0.0003","21.791","0.001","10.8617","0.0004","90","","98.118","0.002","90","","1809.62","0.13","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.0471","0.0381","","","0.0952","0.1009","","","","","","1.032","","","","has coordinates","235868","2020-10-21","18:00:00",""
"4037254","11.8937","0.0003","14.4166","0.0004","16.4236","0.0004","90","","95.369","0.001","90","","2803.75","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.5 H70 F4 N8 O16.5 S4 -","- C48.5 H70 F4 N8 O16.5 S4 -","- C97 H140 F8 N16 O33 S8 -","2","1","","Dostie, Starr; Prévost, Michel; Mochirian, Philippe; Tanveer, Kashif; Andrella, Nicholas; Rostami, Ariana; Tambutet, Guillaume; Guindon, Yvan","Diastereoselective Synthesis of C2'-Fluorinated Nucleoside Analogues Using an Acyclic Approach.","The Journal of organic chemistry","2016","81","22","10769","10790","10.1021/acs.joc.6b01845","","x-ray","1.34139","GaKα","","0.0353","0.0347","","","0.0956","0.0964","","","","","","1.073","","","","has coordinates","235870","2020-10-21","18:00:00",""
"4037255","13.0925","0.0019","22.517","0.003","13.722","0.002","90","","111.181","0.005","90","","3772","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl N O3 S -","- C22 H16 Cl N O3 S -","- C176 H128 Cl8 N8 O24 S8 -","8","2","","Zhou, Nengneng; Yan, Zhongfei; Zhang, Honglin; Wu, Zhongkai; Zhu, Chengjian","Metal-Free Radical Oxidative Cyclization of o-Azidoaryl Acetylenic Ketones with Sulfinic Acids To Access Sulfone-Containing 4-Quinolones.","The Journal of organic chemistry","2016","81","24","12181","12188","10.1021/acs.joc.6b01847","","","0.71073","MoKα","","0.092","0.0528","","","0.1008","0.1145","","","","","","1.015","","","","has coordinates","235872","2020-10-21","18:00:00",""
"4037256","13.63","0.002","9.0742","0.0015","15.598","0.003","90","","100.758","0.004","90","","1895.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C80 H88 N8 O12 S4 -","4","1","","Xu, Lanting; Tan, Lushi; Ma, Dawei","Iridium(III)-Catalyzed Regioselective C7-Amination of N-Pivaloylindoles with Sulfonoazides.","The Journal of organic chemistry","2016","81","21","10476","10483","10.1021/acs.joc.6b01856","","","0.71073","MoKα","","0.071","0.0498","","","0.1244","0.136","","","","","","1.054","","","","has coordinates","235874","2020-10-21","18:00:00",""
"4037257","8.497","0.002","23.827","0.006","14.555","0.004","90","","94.664","0.004","90","","2937","1.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BillMilesDMA","","","- C19 H19 N -","- C19 H19 N -","- C152 H152 N8 -","8","2","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.1473","0.0838","","","0.2127","0.2603","","","","","","1.032","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037258","27.495","0.003","7.3998","0.0008","16.2265","0.0017","90","","115.411","0.001","90","","2982","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BillMilesMeEster","","","- C19 H16 O2 -","- C19 H16 O2 -","- C152 H128 O16 -","8","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0595","0.045","","","0.1185","0.1295","","","","","","1.063","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037259","12.083","0.0008","13.9337","0.0009","9.7612","0.0007","90","","101.046","0.001","90","","1612.96","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MilesCrComplexH","","","- C20 H14 Cr O3 -","- C20 H14 Cr O3 -","- C80 H56 Cr4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.032","0.0299","","","0.09","0.0924","","","","","","1.019","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037260","12.1879","0.001","12.2813","0.001","12.4334","0.001","74.124","0.001","73.675","0.001","75.917","0.001","1689.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","BillMilesCrComplex","","","- C21 H16 Cr O3 -","- C21 H16 Cr O3 -","- C84 H64 Cr4 O12 -","4","2","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0396","0.0365","","","0.1186","0.1257","","","","","","1.049","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037261","13.5083","0.001","7.7384","0.0006","16.8191","0.0013","90","","100.05","0.001","90","","1731.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BillMilesOMe","","","- C21 H16 Cr O4 -","- C21 H16 Cr O4 -","- C84 H64 Cr4 O16 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0354","0.0331","","","0.0948","0.0972","","","","","","1.048","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037262","9.5858","0.0007","13.9734","0.001","12.3111","0.0009","90","","105.275","0.001","90","","1590.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MilesCrComplexF","","","- C20 H13 Cr F O3 -","- C20 H13 Cr F O3 -","- C80 H52 Cr4 F4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0359","0.0337","","","0.1132","0.1182","","","","","","1.04","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037263","9.278","0.005","18.516","0.009","13.957","0.007","90","","129.035","0.004","90","","1862.4","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BillMIlesDMAcomplexCr","","","- C22 H19 Cr N O3 -","- C22 H19 Cr N O3 -","- C88 H76 Cr4 N4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.1131","0.0707","","","0.1683","0.1968","","","","","","1.085","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037264","15.6716","0.0011","7.4384","0.0005","16.5885","0.0012","90","","107.183","0.001","90","","1847.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BillMilesCrEster","","","- C22 H16 Cr O5 -","- C22 H16 Cr O5 -","- C88 H64 Cr4 O20 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0548","0.0411","","","0.1056","0.1172","","","","","","1.022","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037265","11.6844","0.0007","10.6519","0.0006","17.8894","0.0011","90","","98.021","0.001","90","","2204.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BillMilesMnComplex","","","- C22 H18 B Cl2 F4 Mn O3 -","- C22 H18 B Cl2 F4 Mn O3 -","- C88 H72 B4 Cl8 F16 Mn4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0416","0.0385","","","0.0991","0.1021","","","","","","1.075","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037266","14.167","0.0009","14.7098","0.0009","19.8422","0.0012","90","","90","","90","","4135","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BillRuComp (DCM/ether)","","","- C23 H21 F6 P Ru -","- C23 H21 F6 P Ru -","- C184 H168 F48 P8 Ru8 -","8","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0682","0.0551","","","0.1559","0.1685","","","","","","1.057","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037267","11.63","0.03","18.97","0.05","12.18","0.03","90","","111.9","0.03","90","","2493","11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O3 -","- C28 H30 O3 -","- C112 H120 O12 -","4","1","","Yang, Chi; Gao, Shang; Yao, Hequan; Lin, Aijun","Rhodium-Catalyzed Hydroacylation of para-Quinone Methides with Salicylaldehydes: An Approach to α,α-Diaryl-2-Hydroxy Acetophenones.","The Journal of organic chemistry","2016","81","23","11956","11964","10.1021/acs.joc.6b01859","","","0.71073","MoKα","","0.0553","0.0429","","","0.1258","0.1337","","","","","","1.058","","","","has coordinates","235879","2020-10-21","18:00:00",""
"4037268","4.9412","0.0011","25.169","0.006","10.106","0.003","90","","96.543","0.011","90","","1248.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O6 -","- C15 H12 O6 -","- C60 H48 O24 -","4","1","","Baker, Matthew B.; Ferreira, Renan B.; Tasseroul, Jonathan; Lampkins, Andrew J.; Al Abbas, Alexandre; Abboud, Khalil A.; Castellano, Ronald K.","Selective and Sequential Aminolysis of Benzotrifuranone: Synergism of Electronic Effects and Ring Strain Gradient.","The Journal of organic chemistry","2016","81","19","9279","9288","10.1021/acs.joc.6b01867","","","0.71073","MoKα","","0.0528","0.0381","","","0.0919","0.0995","","","","","","1.02","","","","has coordinates","235881","2020-10-21","18:00:00",""
"4037269","8.0547","0.0002","10.5273","0.0002","11.4975","0.0003","88.285","0.001","87.245","0.001","73.009","0.001","931.16","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O6 -","- C22 H21 N O6 -","- C44 H42 N2 O12 -","2","1","","Baker, Matthew B.; Ferreira, Renan B.; Tasseroul, Jonathan; Lampkins, Andrew J.; Al Abbas, Alexandre; Abboud, Khalil A.; Castellano, Ronald K.","Selective and Sequential Aminolysis of Benzotrifuranone: Synergism of Electronic Effects and Ring Strain Gradient.","The Journal of organic chemistry","2016","81","19","9279","9288","10.1021/acs.joc.6b01867","","","0.71073","MoKα","","0.0399","0.0342","","","0.0878","0.0925","","","","","","1.033","","","","has coordinates","235881","2020-10-21","18:00:00",""
"4037270","18.263","0.0007","4.8365","0.0002","19.3532","0.0007","90","","100.698","0.001","90","","1679.74","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N O7 -","- C20 H16 N O7 -","- C80 H64 N4 O28 -","4","1","","Baker, Matthew B.; Ferreira, Renan B.; Tasseroul, Jonathan; Lampkins, Andrew J.; Al Abbas, Alexandre; Abboud, Khalil A.; Castellano, Ronald K.","Selective and Sequential Aminolysis of Benzotrifuranone: Synergism of Electronic Effects and Ring Strain Gradient.","The Journal of organic chemistry","2016","81","19","9279","9288","10.1021/acs.joc.6b01867","","","0.71073","MoKα","","0.0562","0.0433","","","0.1285","0.1367","","","","","","1.079","","","","has coordinates","235881","2020-10-21","18:00:00",""
"4037271","20.577","0.002","6.0864","0.0006","16.6191","0.0018","90","","106.465","0.005","90","","1996","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O7 -","- C21 H26 O7 -","- C84 H104 O28 -","4","1","","Mondal, Soumik; Sureshan, Kana M.","Carbasugar Synthesis via Vinylogous Ketal: Total Syntheses of (+)-MK7607, (-)-MK7607, (-)-Gabosine A, (-)-Epoxydine B, (-)-Epoxydine C, epi-(+)-Gabosine E and epi-(+)-MK7607.","The Journal of organic chemistry","2016","81","23","11635","11645","10.1021/acs.joc.6b01876","","","0.71073","MoKα","","0.0506","0.0425","","","0.1075","0.1161","","","","","","1.035","","","","has coordinates","235883","2020-10-21","18:00:00",""
"4037272","11.3423","0.0005","10.4132","0.0005","17.944","0.0009","90","","104.97","0.005","90","","2047.43","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O4 S2 -","- C21 H20 N2 O4 S2 -","- C84 H80 N8 O16 S8 -","4","1","","Chen, Zhiyuan; Huang, Jiapian; Wang, Zhijie","Transition-Metal-Catalyzed Hydrosulfoximination and Oxidation Reaction for the Synthesis of Sulfoximine Derivatives.","The Journal of organic chemistry","2016","81","19","9308","9314","10.1021/acs.joc.6b01891","","","0.71073","MoKα","","0.0478","0.0414","","","0.0864","0.0896","","","","","","1.004","","","","has coordinates","235885","2020-10-21","18:00:00",""
"4037273","20.849","0.002","6.117","0.0006","20.0741","0.0013","90","","90","","90","","2560.1","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H26 N2 O3 S2 -","- C28 H26 N2 O3 S2 -","- C112 H104 N8 O12 S8 -","4","1","","Chen, Zhiyuan; Huang, Jiapian; Wang, Zhijie","Transition-Metal-Catalyzed Hydrosulfoximination and Oxidation Reaction for the Synthesis of Sulfoximine Derivatives.","The Journal of organic chemistry","2016","81","19","9308","9314","10.1021/acs.joc.6b01891","","","0.71073","MoKα","","0.0754","0.0686","","","0.1211","0.1239","","","","","","1.004","","","","has coordinates","235886","2020-10-21","18:00:00",""
"4037274","10.5985","0.0005","8.0053","0.0004","31.2829","0.0014","90","","93.6548","0.0006","90","","2648.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N8 -","- C28 H22 N8 -","- C112 H88 N32 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0606","0.0505","","","0.1296","0.1361","","","","","","1.063","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037275","9.077","0.004","10.503","0.004","11.236","0.004","71.951","0.005","88.879","0.004","67.801","0.004","937.2","0.6","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 N6 -","- C22 H22 N6 -","- C44 H44 N12 -","2","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0442","0.0368","","","0.0864","0.0914","","","","","","0.997","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037276","9.999","0.003","11.95","0.004","12.963","0.004","77.768","0.004","71.783","0.003","66.201","0.003","1339.6","0.7","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N6 O2 -","- C32 H28 N6 O2 -","- C64 H56 N12 O4 -","2","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0608","0.0449","","","0.1124","0.122","","","","","","0.998","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037277","22.087","0.013","10.022","0.006","8.828","0.005","90","","90","","90","","1954","2","103","2","103","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H22 N6 -","- C22 H22 N6 -","- C88 H88 N24 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0395","0.0318","","","0.0676","0.071","","","","","","1.059","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037278","12.898","0.006","32.52","0.015","9.33","0.004","90","","101.68","0.02","90","","3832","3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N12 O0.24 -","- C44 H44 N12 O0.237 -","- C176 H176 N48 O0.948 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0915","0.0514","","","0.1146","0.143","","","","","","1.021","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037279","10.1162","0.0006","17.5805","0.0011","13.566","0.0008","90","","97.3442","0.0008","90","","2392.9","0.2","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N6 -","- C30 H24 N6 -","- C120 H96 N24 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0473","0.0418","","","0.0924","0.0962","","","","","","0.962","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037280","10.074","0.004","12.014","0.004","13.149","0.005","63.293","0.004","83.12","0.004","76.074","0.004","1379.7","0.9","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 N7 O2 -","- C32 H27 N7 O2 -","- C64 H54 N14 O4 -","2","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0417","0.0386","","","0.0952","0.0979","","","","","","1.026","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037281","11.575","0.004","14.13","0.005","19.212","0.007","90","","97.899","0.004","90","","3112.4","1.9","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N8 O2 -","- C34 H34 N8 O2 -","- C136 H136 N32 O8 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0551","0.0409","","","0.0891","0.0972","","","","","","0.964","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037282","9.0751","0.0002","9.0751","0.0002","34.9812","0.0006","90","","90","","90","","2880.96","0.1","203","2","203","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H32 N6 -","- C34 H32 N6 -","- C136 H128 N24 -","4","0.5","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0507","0.0398","","","0.1018","0.1096","","","","","","1.011","","","","has coordinates,has disorder","235888","2020-10-21","18:00:00",""
"4037283","14.415","0.004","16.688","0.005","12.739","0.004","90","","97.053","0.006","90","","3041.3","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl2 N6 -","- C34 H30 Cl2 N6 -","- C136 H120 Cl8 N24 -","4","0.5","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0631","0.0447","","","0.0792","0.0827","","","","","","1.769","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037284","19.2424","0.0006","19.606","0.0007","50.4378","0.0016","90","","90","","90","","19028.5","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C86 H96 N8 O24.21 P2 -","- C86 H96 N8 O24.205 P2 -","- C688 H768 N64 O193.64 P16 -","8","2","","Jones, Bradley R.; Abrams, M. Leigh; Landis, Clark R.; May, Scott A.; Campbell, Alison N.; Martinelli, Joseph R.; Calvin, Joel R.","Scalable Synthesis of Enantiopure Bis-3,4-diazaphospholane Ligands for Asymmetric Catalysis.","The Journal of organic chemistry","2016","81","23","11965","11970","10.1021/acs.joc.6b01915","","x-ray","1.54178","CuKα","","0.1688","0.1501","","","0.4166","0.4728","","","","","","1.01","","","","has coordinates,has disorder","235891","2020-10-21","18:00:00",""
"4037285","28.653","0.006","9.7201","0.0019","18.842","0.004","90","","90","","90","","5247.7","1.9","300","2","300","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C70 H52 N4 O -","- C70 H52 N4 O -","- C280 H208 N16 O4 -","4","0.5","","Jana, Sourav; Dey, Amrita; Singsardar, Mukta; Bagdi, Avik K.; Hajra, Alakananda","Zn(OTf)<sub>2</sub>-Catalyzed Synthesis of Imidazole-Substituted Allenes.","The Journal of organic chemistry","2016","81","19","9489","9493","10.1021/acs.joc.6b01916","","","0.71073","MoKα","","0.095","0.0462","","","0.12","0.1522","","","","","","0.921","","","","has coordinates","235893","2020-10-21","18:00:00",""
"4037286","8.7733","0.0011","14.7716","0.0019","13.7797","0.0018","90","","106.983","0.002","90","","1707.9","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Trost, Barry M.; Masters, James T.; Le Vaillant, Franck; Lumb, Jean-Philip","Synthesis of a 1,3-Bridged Macrobicyclic Enyne via Chemoselective Cycloisomerization Using Palladium-Catalyzed Alkyne-Alkyne Coupling.","The Journal of organic chemistry","2016","81","20","10023","10028","10.1021/acs.joc.6b01920","","","0.71073","MoKα","","0.0513","0.0375","","","0.0829","0.0907","","","","","","1.015","","","","has coordinates","235895","2020-10-21","18:00:00",""
"4037287","7.331","0.002","10.1068","0.0015","14.572","0.002","84.948","0.015","83.2","0.03","79.942","0.014","1053.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H7 N O2 S -","- C13 H7 N O2 S -","- C52 H28 N4 O8 S4 -","4","2","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.053","0.0403","","","0.1018","0.1096","","","","","","1.024","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037288","5.3775","0.0006","31.052","0.005","12.3237","0.0013","90","","90.673","0.011","90","","2057.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 N O2 S -","- C13 H7 N O2 S -","- C104 H56 N8 O16 S8 -","8","2","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.1165","0.0545","","","0.1029","0.1243","","","","","","1.007","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037289","8.205","0.002","14.884","0.004","14.978","0.004","62.98","0.02","86.64","0.03","86.32","0.03","1625.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H14 Br6 Cl2 N2 O4 S2 -","- C27 H14 Br6 Cl2 N2 O4 S2 -","- C54 H28 Br12 Cl4 N4 O8 S4 -","2","1","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.0999","0.0761","","","0.1819","0.2077","","","","","","1.151","","","","has coordinates,has disorder","235897","2020-10-21","18:00:00",""
"4037290","23.534","0.004","8.2908","0.0012","16.25","0.006","90","","96.99","0.02","90","","3147.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br2 N2 O2 S -","- C15 H12 Br2 N2 O2 S -","- C120 H96 Br16 N16 O16 S8 -","8","2","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.1693","0.1087","","","0.2012","0.2417","","","","","","1.192","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037291","7.3624","0.0008","7.3704","0.0007","14.0312","0.0015","83.266","0.003","74.936","0.004","80.647","0.004","723.2","0.13","0","2","0","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 F3 N2 O4 -","- C14 H15 F3 N2 O4 -","- C28 H30 F6 N4 O8 -","2","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.1145","0.1046","","","0.2894","0.2935","","","","","","1.173","","","","has coordinates","235899","2020-10-21","18:00:00",""
"4037292","11.93","0.0005","9.6569","0.0005","22.248","0.0011","90","","90","","90","","2563.1","0.2","0","2","0","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 F3 N2 O4 -","- C12 H11 F3 N2 O4 -","- C96 H88 F24 N16 O32 -","8","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.0533","0.0389","","","0.1221","0.1325","","","","","","1.044","","","","has coordinates","235900","2020-10-21","18:00:00",""
"4037293","5.7857","0.0004","10.2761","0.0006","22.0932","0.0013","90","","90","","90","","1313.54","0.14","297.1","","297.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C52 H56 F12 N4 O12 -","4","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.0475","0.0366","","","0.0825","0.0867","","","","","","1.075","","","","has coordinates","235902","2020-10-21","18:00:00",""
"4037294","19.289","0.004","11.081","0.002","23.943","0.005","90","","90","","90","","5117.6","1.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Br O3 Si -","- C29 H25 Br O3 Si -","- C232 H200 Br8 O24 Si8 -","8","1","","Liu, Hui-Li; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Organocatalytic Enantioselective Allylic Etherification of Morita-Baylis-Hillman Carbonates and Silanols.","The Journal of organic chemistry","2016","81","20","10035","10042","10.1021/acs.joc.6b01931","","","0.71073","MoKα","","0.0749","0.0403","","","0.1003","0.135","","","","","","1.085","","","","has coordinates","235904","2020-10-21","18:00:00",""
"4037295","10.545","0.002","12.431","0.003","19.567","0.004","90","","90","","90","","2564.9","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Br O3 Si -","- C29 H25 Br O3 Si -","- C116 H100 Br4 O12 Si4 -","4","1","","Liu, Hui-Li; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Organocatalytic Enantioselective Allylic Etherification of Morita-Baylis-Hillman Carbonates and Silanols.","The Journal of organic chemistry","2016","81","20","10035","10042","10.1021/acs.joc.6b01931","","","0.71073","MoKα","","0.0446","0.0311","","","0.0645","0.0695","","","","","","1.033","","","","has coordinates","235906","2020-10-21","18:00:00",""
"4037296","12.8743","0.0016","8.0021","0.0007","14.8751","0.0015","90","","100.11","0.004","90","","1508.7","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 S -","- C18 H14 N2 O2 S -","- C72 H56 N8 O8 S4 -","4","1","","Naveen, ?; Rajkumar, Vadla; Babu, Srinivasarao Arulananda; Gopalakrishnan, Bojan","Pd(II)-Catalyzed Bidentate Directing Group-Aided Chemoselective Acetoxylation of Remote ε-C(sp<sup>2</sup>)-H Bonds in Heteroaryl-Aryl-Based Biaryl Systems.","The Journal of organic chemistry","2016","81","24","12197","12211","10.1021/acs.joc.6b01933","","","0.71073","MoKα","","0.0854","0.0568","","","0.1556","0.2331","","","","","","1.04","","","","has coordinates","235908","2020-10-21","18:00:00",""
"4037297","7.1877","0.0005","25.1688","0.0016","9.809","0.0006","90","","110.284","0.004","90","","1664.46","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0649","0.0481","","","0.1186","0.1299","","","","","","1.03","","","","has coordinates","235910","2020-10-21","18:00:00",""
"4037298","8.1616","0.0006","8.6757","0.0007","22.6247","0.0019","90","","90.485","0.003","90","","1601.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0418","0.0356","","","0.097","0.1152","","","","","","1.129","","","","has coordinates","235913","2020-10-21","18:00:00",""
"4037299","15.2093","0.0009","4.0297","0.0002","18.2902","0.0011","90","","90.067","0.003","90","","1120.99","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C48 H56 N8 O12 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0662","0.0491","","","0.1559","0.1878","","","","","","1.098","","","","has coordinates","235914","2020-10-21","18:00:00",""
"4037300","8.4384","0.0006","11.0458","0.0008","12.1243","0.0008","70.841","0.002","77.317","0.002","86.918","0.002","1041.25","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C46 H52 N4 O6 -","2","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.071","0.0473","","","0.1277","0.1461","","","","","","1.04","","","","has coordinates,has disorder","235916","2020-10-21","18:00:00",""
"4037301","11.5472","0.0005","9.5808","0.0003","17.8875","0.0007","90","","95.831","0.002","90","","1968.68","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0882","0.0547","","","0.1499","0.1806","","","","","","1.082","","","","has coordinates","235918","2020-10-21","18:00:00",""
"4037302","11.5911","0.0012","12.1293","0.0015","12.5797","0.0013","76.989","0.006","62.67","0.004","72.283","0.005","1489","0.3","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N5 O8 -","- C31 H37 N5 O8 -","- C62 H74 N10 O16 -","2","1","","Yamazaki, Shoko; Sugiura, Hirotaka; Ohashi, Shinnosuke; Ishizuka, Keisuke; Saimu, Rina; Mikata, Yuji; Ogawa, Akiya","Intramolecular [2 + 2] and [4 + 2] Cycloaddition Reactions of Cinnamylamides of Ethenetricarboxylate in Sequential Processes.","The Journal of organic chemistry","2016","81","22","10863","10886","10.1021/acs.joc.6b01947","","","0.71075","MoKα","","0.0466","0.0404","","","0.1038","0.1104","","","","","","1.067","","","","has coordinates","235919","2020-10-21","18:00:00",""
"4037303","15.502","0.004","17.641","0.004","14.182","0.003","90","","95.308","0.005","90","","3861.7","1.6","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Au Cl2 F6 N O2 P Sb -","- C32 H38 Au Cl2 F6 N O2 P Sb -","- C128 H152 Au4 Cl8 F24 N4 O8 P4 Sb4 -","4","1","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.062","0.0499","","","0.1298","0.1369","","","","","","0.979","","","","has coordinates","235922","2020-10-21","18:00:00",""
"4037304","12.544","0.003","14.099","0.003","13.291","0.003","90","","111.66","0.03","90","","2184.6","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O2 -","- C28 H21 N3 O2 -","- C112 H84 N12 O8 -","4","1","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0498","0.0442","","","0.1156","0.1211","","","","","","1.026","","","","has coordinates","235924","2020-10-21","18:00:00",""
"4037305","14.901","0.003","10.12","0.002","23.618","0.005","90","","92.62","0.03","90","","3557.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N3 O2 -","- C22 H16 N3 O2 -","- C176 H128 N24 O16 -","8","2","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0582","0.0533","","","0.1562","0.1621","","","","","","1.099","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4037306","9.6007","0.0019","18.225","0.004","19.435","0.004","105.32","0.03","91.26","0.03","96.56","0.03","3253.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H35 Au F6 N2 P Sb -","- C31 H35 Au F6 N2 P Sb -","- C124 H140 Au4 F24 N8 P4 Sb4 -","4","2","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0396","0.0337","","","0.0785","0.0805","","","","","","0.956","","","","has coordinates","235927","2020-10-21","18:00:00",""
"4037307","9.0639","0.0018","17.086","0.003","12.365","0.003","90","","109.34","0.03","90","","1806.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0657","0.0455","","","0.126","0.1374","","","","","","1.006","","","","has coordinates","235928","2020-10-21","18:00:00",""
"4037308","12.5614","0.0002","5.24978","0.0001","13.4122","0.0003","90","","91.3092","0.0016","90","","884.23","0.03","290.7","0.1","290.7","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 F3 O3 -","- C19 H17 F3 O3 -","- C38 H34 F6 O6 -","2","1","","Yang, Guang-Jun; Du, Wei; Chen, Ying-Chun","Construction of Furan Derivatives with a Trifluoromethyl Stereogenic Center: Enantioselective Friedel-Crafts Alkylations via Formal Trienamine Catalysis.","The Journal of organic chemistry","2016","81","20","10056","10061","10.1021/acs.joc.6b01950","","x-ray","1.54184","CuKα","","0.0481","0.0472","","","0.1321","0.1334","","","","","","1.047","","","","has coordinates","235930","2020-10-21","18:00:00",""
"4037309","12.089","0.0006","8.181","0.0003","21.9045","0.0011","90","","95.72","0.002","90","","2155.57","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Rig611","","","- C20 H22 Cl N5 O3 S -","- C20 H22 Cl N5 O3 S -","- C80 H88 Cl4 N20 O12 S4 -","4","1","","Rodrigo, Eduardo; Alonso, Inés; García Ruano, José Luis; Cid, M Belén","Expanding the Potential of Heteroaryl Vinyl Sulfones.","The Journal of organic chemistry","2016","81","22","10887","10899","10.1021/acs.joc.6b01956","","","0.71073","MoK\a","","0.0759","0.0408","","","0.1019","0.1332","","","","","","1.087","","","","has coordinates","235932","2020-10-21","18:00:00",""
"4037310","31.448","0.008","17.914","0.004","72.329","0.018","90","","93.536","0.004","90","","40670","17","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C176 H186 N12 O7 S -","- C176 H186 N12 O7 S -","- C1408 H1488 N96 O56 S8 -","8","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","0.71075","MoKα","","0.1134","0.0847","","","0.2609","0.2837","","","","","","1.041","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037311","8.5439","0.0013","25.359","0.004","27.711","0.004","90","","103.197","0.005","90","","5845.4","1.5","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 Cl7 N5 O2 -","- C60 H66 Cl7 N5 O2 -","- C240 H264 Cl28 N20 O8 -","4","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","0.71075","MoKα","","0.0968","0.0754","","","0.1758","0.1891","","","","","","1.115","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037312","34.448","0.0006","16.3547","0.0003","24.2238","0.0004","90","","95.6897","0.0007","90","","13580.1","0.4","203","","203","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H102 Cl N5 O2.5 S0.5 -","- C75 H96 Cl N5 O2.5 S0.5 -","- C600 H768 Cl8 N40 O20 S4 -","8","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","1.54187","CuKα","","0.1111","0.0714","","","0.183","0.2357","","","","","","1.006","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037313","17.154","0.002","19.517","0.003","26.195","0.003","90","","127.031","0.006","90","","7001.1","1.7","113","","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H63 Cl9 N4 O2 -","- C61 H63 Cl9 N4 O2 -","- C244 H252 Cl36 N16 O8 -","4","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","0.71075","MoKα","","0.0857","0.0767","","","0.2266","0.2368","","","","","","1.047","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037314","8.6368","0.0002","12.3637","0.0003","27.5206","0.0007","90","","90","","90","","2938.73","0.12","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Liu, Jing; Wei, Wei; Zhao, Ting; Liu, Xuanyu; Wu, Jie; Yu, Wenquan; Chang, Junbiao","Iodine/Copper Iodide-Mediated C-H Functionalization: Synthesis of Imidazo[1,2-a]pyridines and Indoles from N-Aryl Enamines.","The Journal of organic chemistry","2016","81","19","9326","9336","10.1021/acs.joc.6b01960","","","0.71073","MoKα","","0.0523","0.0446","","","0.1187","0.1237","","","","","","1.06","","","","has coordinates","235936","2020-10-21","18:00:00",""
"4037315","8.5724","0.0016","9.5217","0.0011","10.0248","0.0018","64.703","0.014","65.55","0.017","85.194","0.012","669.1","0.2","180","","180","","","","","","","","","6","P -1","-P 1","2","","diethyl (4-chloro-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phosphonate","","- C10 H13 Cl N3 O3 P -","- C10 H13 Cl N3 O3 P -","- C20 H26 Cl2 N6 O6 P2 -","2","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Phosphonation of Pyrrolopyrimidines: Synthesis of Substituted 7- and 9-Deazapurine-8-phosphonate Derivatives.","The Journal of organic chemistry","2016","81","19","9507","9514","10.1021/acs.joc.6b01970","","x-ray","1.54184","CuKα","","0.0998","0.0764","","0.0944","0.0647","0.0647","","","","","","1.3193","","","","has coordinates,has disorder","235938","2020-10-21","18:00:00",""
"4037316","7.8996","0.0004","8.2513","0.0004","10.2912","0.0004","93.736","0.003","97.778","0.004","91.382","0.004","662.85","0.05","180","","180","","","","","","","","","6","P -1","-P 1","2","","diethyl (4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phosphonate","","- C10 H13 Cl N3 O3 P -","- C10 H13 Cl N3 O3 P -","- C20 H26 Cl2 N6 O6 P2 -","2","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Phosphonation of Pyrrolopyrimidines: Synthesis of Substituted 7- and 9-Deazapurine-8-phosphonate Derivatives.","The Journal of organic chemistry","2016","81","19","9507","9514","10.1021/acs.joc.6b01970","","x-ray","1.54184","CuKα","","0.0513","0.0454","","0.0629","0.0548","0.0548","","","","","","1.0633","","","","has coordinates","235939","2020-10-21","18:00:00",""
"4037317","8.221","0.003","10.018","0.003","10.186","0.004","113.6","0.02","94.47","0.03","109.16","0.02","704.6","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","diethyl (2-amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phosphonate","","- C10 H14 Cl N4 O3 P -","- C10 H14 Cl N4 O3 P -","- C20 H28 Cl2 N8 O6 P2 -","2","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Phosphonation of Pyrrolopyrimidines: Synthesis of Substituted 7- and 9-Deazapurine-8-phosphonate Derivatives.","The Journal of organic chemistry","2016","81","19","9507","9514","10.1021/acs.joc.6b01970","","x-ray","0.71073","MoKα","","0.0999","0.0625","","0.1069","0.0553","0.0553","","","","","","1.1363","","","","has coordinates,has disorder","235941","2020-10-21","18:00:00",""
"4037318","7.0162","0.0004","9.8847","0.0006","20.6163","0.0013","90","","90","","90","","1429.8","0.15","108","","108","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Tao, Qiaoqiao; Ma, Ke; Yang, Yanlong; Wang, Kai; Chen, Baosong; Huang, Ying; Han, Junjie; Bao, Li; Liu, Xiao-Bin; Yang, Zhuliang; Yin, Wen-Bing; Liu, Hongwei","Bioactive Sesquiterpenes from the Edible Mushroom Flammulina velutipes and Their Biosynthetic Pathway Confirmed by Genome Analysis and Chemical Evidence.","The Journal of organic chemistry","2016","81","20","9867","9877","10.1021/acs.joc.6b01971","","","1.5418","CuKα","","0.0416","0.0405","","","0.1033","0.1045","","","","","","1.072","","","","has coordinates","235943","2020-10-21","18:00:00",""
"4037319","16.297","0.002","10.6491","0.0013","18.241","0.002","90","","98.884","0.003","90","","3127.7","0.6","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18.33 H29.33 F N O2.33 S -","- C18.3333 H29.3333 F N O2.33333 S -","- C110 H176 F6 N6 O14 S6 -","6","3","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.0768","0.0537","","","0.1263","0.141","","","","","","1.024","","","","has coordinates","235945","2020-10-21","18:00:00",""
"4037320","7.926","0.008","10.565","0.01","11.841","0.012","90","","102.26","0.02","90","","968.9","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 F N O2 S -","- C21 H24 F N O2 S -","- C42 H48 F2 N2 O4 S2 -","2","1","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.0618","0.0409","","","0.0808","0.0903","","","","","","1.003","","","","has coordinates","235947","2020-10-21","18:00:00",""
"4037321","6.0578","0.0013","8.7727","0.0018","19.173","0.004","90","","94.406","0.005","90","","1015.9","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H23 Cl F N O2 S -","- C21 H23 Cl F N O2 S -","- C42 H46 Cl2 F2 N2 O4 S2 -","2","1","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.072","0.0509","","","0.1083","0.1191","","","","","","0.997","","","","has coordinates","235949","2020-10-21","18:00:00",""
"4037322","8.091","0.0008","12.068","0.0011","13.328","0.0012","75.317","0.001","73.664","0.001","80.916","0.002","1202.79","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H14 Cl3 N5 O3 -","- C22.5 H14 Cl3 N5 O3 -","- C45 H28 Cl6 N10 O6 -","2","1","","Zhang, Tian-Shu; Xiong, Yan-Jie; Hao, Wen-Juan; Zhu, Xiao-Tong; Wang, Shu-Liang; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","DDQ-Mediated Three-Component Dioxygenation of Alkenes.","The Journal of organic chemistry","2016","81","19","9350","9355","10.1021/acs.joc.6b01988","","","0.71073","MoKα","","0.2414","0.1095","","","0.24","0.2868","","","","","","1.078","","","","has coordinates,has disorder","235950","2020-10-21","18:00:00",""
"4037323","6.7727","0.0002","8.6658","0.0003","10.6659","0.0003","94.639","0.001","90.573","0.001","99.566","0.001","615.09","0.03","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Rycek, Lukas; Hayward, John J.; Latif, Marwa Abdel; Tanko, James; Simionescu, Razvan; Hudlicky, Tomas","Chemoenzymatic Total Synthesis of Hydromorphone by an Oxidative Dearomatization/Intramolecular [4 + 2] Cycloaddition Sequence: A Second-Generation Approach.","The Journal of organic chemistry","2016","81","22","10930","10941","10.1021/acs.joc.6b01990","","","1.54178","CuKα","","0.0403","0.0401","","","0.1049","0.1052","","","","","","1.07","","","","has coordinates","235952","2020-10-21","18:00:00",""
"4037324","7.2978","0.0002","14.6967","0.0003","18.417","0.0004","90","","98.629","0.001","90","","1952.93","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 Br O4 -","- C22 H23 Br O4 -","- C88 H92 Br4 O16 -","4","2","","Rycek, Lukas; Hayward, John J.; Latif, Marwa Abdel; Tanko, James; Simionescu, Razvan; Hudlicky, Tomas","Chemoenzymatic Total Synthesis of Hydromorphone by an Oxidative Dearomatization/Intramolecular [4 + 2] Cycloaddition Sequence: A Second-Generation Approach.","The Journal of organic chemistry","2016","81","22","10930","10941","10.1021/acs.joc.6b01990","","","0.71073","MoKα","","0.0427","0.0313","","","0.0771","0.0819","","","","","","1.029","","","","has coordinates,has disorder","235953","2020-10-21","18:00:00",""
"4037325","11.9547","0.0016","9.8218","0.0014","11.9089","0.0015","90","","107.733","0.004","90","","1331.9","0.3","147","2","147","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Rycek, Lukas; Hayward, John J.; Latif, Marwa Abdel; Tanko, James; Simionescu, Razvan; Hudlicky, Tomas","Chemoenzymatic Total Synthesis of Hydromorphone by an Oxidative Dearomatization/Intramolecular [4 + 2] Cycloaddition Sequence: A Second-Generation Approach.","The Journal of organic chemistry","2016","81","22","10930","10941","10.1021/acs.joc.6b01990","","","0.71073","MoKα","","0.0593","0.0378","","","0.0829","0.0945","","","","","","1.03","","","","has coordinates","235955","2020-10-21","18:00:00",""
"4037326","13.5309","0.0019","12.5688","0.0019","10.2197","0.0015","90","","100.799","0.003","90","","1707.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Shao, Ying; Zeng, Yu-Mei; Ji, Jie-Ying; Sun, Xiao-Qiang; Yang, Hai-Tao; Miao, Chun-Bao","The Cs<sub>2</sub>CO<sub>3</sub>-Catalyzed Reaction of 2-Oxindoles with Enones for the Preparation of Indolin-3-Ones and Their Further Transformation.","The Journal of organic chemistry","2016","81","24","12443","12450","10.1021/acs.joc.6b01993","","","0.71073","MoKα","","0.0508","0.0413","","","0.1101","0.1176","","","","","","1.072","","","","has coordinates","235957","2020-10-21","18:00:00",""
"4037327","10.083","0.0012","13.0578","0.0016","15.4468","0.0019","90","","96.388","0.003","90","","2021.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl N O3 -","- C24 H20 Cl N O3 -","- C96 H80 Cl4 N4 O12 -","4","1","","Shao, Ying; Zeng, Yu-Mei; Ji, Jie-Ying; Sun, Xiao-Qiang; Yang, Hai-Tao; Miao, Chun-Bao","The Cs<sub>2</sub>CO<sub>3</sub>-Catalyzed Reaction of 2-Oxindoles with Enones for the Preparation of Indolin-3-Ones and Their Further Transformation.","The Journal of organic chemistry","2016","81","24","12443","12450","10.1021/acs.joc.6b01993","","","0.71073","MoKα","","0.0685","0.0562","","","0.1696","0.1899","","","","","","1.032","","","","has coordinates","235959","2020-10-21","18:00:00",""
"4037328","7.4434","0.0005","8.143","0.0005","10.3466","0.0006","73.153","0.001","83.813","0.001","82.018","0.001","592.88","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 B N O2 -","- C14 H14 B N O2 -","- C28 H28 B2 N2 O4 -","2","1","","Saint-Louis, Carl Jacky; Magill, Lacey L.; Wilson, Julie A.; Schroeder, Andrew R.; Harrell, Sarah E.; Jackson, Nicolle S.; Trindell, Jamie A.; Kim, Saraphina; Fisch, Alexander R.; Munro, Lyndsay; Catalano, Vincent J.; Webster, Charles Edwin; Vaughan, Pamela P.; Molek, Karen S.; Schrock, Alan K.; Huggins, Michael T.","The Synthesis and Characterization of Highly Fluorescent Polycyclic Azaborine Chromophores.","The Journal of organic chemistry","2016","81","22","10955","10963","10.1021/acs.joc.6b01998","","","0.71073","MoKα","","0.0736","0.0579","","","0.1851","0.1953","","","","","","1.424","","","","has coordinates","235961","2020-10-21","18:00:00",""
"4037329","16.6112","0.0011","24.0764","0.0016","7.073","0.0005","90","","90","","90","","2828.8","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C136 H136 N8 O32 -","8","1","","Saint-Louis, Carl Jacky; Magill, Lacey L.; Wilson, Julie A.; Schroeder, Andrew R.; Harrell, Sarah E.; Jackson, Nicolle S.; Trindell, Jamie A.; Kim, Saraphina; Fisch, Alexander R.; Munro, Lyndsay; Catalano, Vincent J.; Webster, Charles Edwin; Vaughan, Pamela P.; Molek, Karen S.; Schrock, Alan K.; Huggins, Michael T.","The Synthesis and Characterization of Highly Fluorescent Polycyclic Azaborine Chromophores.","The Journal of organic chemistry","2016","81","22","10955","10963","10.1021/acs.joc.6b01998","","","0.71073","MoKα","","0.0637","0.044","","","0.1034","0.1108","","","","","","1.017","","","","has coordinates","235963","2020-10-21","18:00:00",""
"4037330","8.87379","0.0001","4.83007","0.00005","16.6309","0.00014","90","","90.2687","0.0008","90","","712.81","0.012","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H17 Br Cl N O2 -","- C13 H17 Br Cl N O2 -","- C26 H34 Br2 Cl2 N2 O4 -","2","1","","Clarke, James; Bonney, Karl J.; Yaqoob, Muhammad; Solanki, Savade; Rzepa, Henry S.; White, Andrew J. P.; Millan, David S.; Braddock, D. Christopher","Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Marilzabicycloallene D.","The Journal of organic chemistry","2016","81","20","9539","9552","10.1021/acs.joc.6b02008","","","1.54184","CuKα","","0.0238","0.0196","","","0.0425","0.0431","","","","","","0.952","","","","has coordinates","235965","2020-10-21","18:00:00",""
"4037331","9.9054","0.00009","16.3056","0.00013","17.66934","0.00016","90","","90","","90","","2853.84","0.04","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 Br Cl N O2 -","- C13 H17 Br Cl N O2 -","- C104 H136 Br8 Cl8 N8 O16 -","8","2","","Clarke, James; Bonney, Karl J.; Yaqoob, Muhammad; Solanki, Savade; Rzepa, Henry S.; White, Andrew J. P.; Millan, David S.; Braddock, D. Christopher","Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Marilzabicycloallene D.","The Journal of organic chemistry","2016","81","20","9539","9552","10.1021/acs.joc.6b02008","","","1.54184","CuKα","","0.0363","0.031","","","0.0713","0.0746","","","","","","1.036","","","","has coordinates","235965","2020-10-21","18:00:00",""
"4037332","10.8712","0.0002","12.2577","0.0003","15.5456","0.0003","90","","90.4588","0.0019","90","","2071.48","0.07","154.89","0.1","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 I2 N -","- C25 H19 I2 N -","- C100 H76 I8 N4 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Xia, Yu; Jin, Dong-Po; Qiu, Yi-Feng; Li, Ying-Xiu; Liang, Yong-Min","Electrophilic Cyclization of Aryl Propargylic Alcohols: Synthesis of Dihalogenated 6,9-Dihydropyrido[1,2-a]indoles via a Cascade Iodocyclization.","The Journal of organic chemistry","2016","81","22","10975","10986","10.1021/acs.joc.6b02013","","x-ray","0.71073","MoKα","","0.0498","0.0359","","","0.0665","0.076","","","","","","1.072","","","","has coordinates","235967","2020-10-21","18:00:00",""
"4037333","10.8314","0.0006","12.0828","0.0005","15.5269","0.0006","90","","90.132","0.005","90","","2032.06","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br I N -","- C25 H19 Br I N -","- C100 H76 Br4 I4 N4 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Xia, Yu; Jin, Dong-Po; Qiu, Yi-Feng; Li, Ying-Xiu; Liang, Yong-Min","Electrophilic Cyclization of Aryl Propargylic Alcohols: Synthesis of Dihalogenated 6,9-Dihydropyrido[1,2-a]indoles via a Cascade Iodocyclization.","The Journal of organic chemistry","2016","81","22","10975","10986","10.1021/acs.joc.6b02013","","x-ray","0.71073","MoKα","","0.0809","0.0454","","","0.0877","0.1054","","","","","","1.041","","","","has coordinates","235969","2020-10-21","18:00:00",""
"4037334","8.462","0.002","16.12","0.005","14.655","0.004","90","","90.551","0.015","90","","1999","1","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","1","","Jash, Moumita; Das, Bimolendu; Chowdhury, Chinmay","One-Pot Access to Benzo[a]carbazoles via Palladium(II)-Catalyzed Hetero- and Carboannulations.","The Journal of organic chemistry","2016","81","22","10987","10999","10.1021/acs.joc.6b02022","","x-ray","0.71073","MoKα","","0.078","0.0444","","","0.1161","0.1327","","","","","","1.047","","","","has coordinates","235971","2020-10-21","18:00:00",""
"4037335","8.2771","0.0005","15.4988","0.001","14.6841","0.0009","90","","97.587","0.003","90","","1867.3","0.2","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 F N O2 S -","- C23 H16 F N O2 S -","- C92 H64 F4 N4 O8 S4 -","4","1","","Jash, Moumita; Das, Bimolendu; Chowdhury, Chinmay","One-Pot Access to Benzo[a]carbazoles via Palladium(II)-Catalyzed Hetero- and Carboannulations.","The Journal of organic chemistry","2016","81","22","10987","10999","10.1021/acs.joc.6b02022","","x-ray","0.71073","MoKα","","0.0561","0.041","","","0.1076","0.1211","","","","","","1.022","","","","has coordinates","235973","2020-10-21","18:00:00",""
"4037336","28.4537","0.0007","28.4537","0.0007","10.8501","0.0007","90","","90","","90","","8784.4","0.6","293","2","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C25 H22 N2 O4 S -","- C25 H22 N2 O4 S -","- C400 H352 N32 O64 S16 -","16","1","","Jash, Moumita; Das, Bimolendu; Chowdhury, Chinmay","One-Pot Access to Benzo[a]carbazoles via Palladium(II)-Catalyzed Hetero- and Carboannulations.","The Journal of organic chemistry","2016","81","22","10987","10999","10.1021/acs.joc.6b02022","","","0.71073","MoKα","","0.1004","0.0459","","","0.119","0.1491","","","","","","0.991","","","","has coordinates","235975","2020-10-21","18:00:00",""
"4037337","12.1383","0.0002","18.1897","0.0004","7.0365","0.0002","90","","90","","90","","1553.6","0.06","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Ku, Angela F.; Cuny, Gregory D.","Access to 6a-Alkyl Aporphines: Synthesis of (±)-N-Methylguattescidine.","The Journal of organic chemistry","2016","81","20","10062","10070","10.1021/acs.joc.6b02024","","","1.54178","CuKα","","0.0205","0.0203","","","0.0537","0.0541","","","","","","1.061","","","","has coordinates","235977","2020-10-21","18:00:00",""
"4037338","8.9615","0.0006","16.4652","0.0013","19.3782","0.0012","90","","90","","90","","2859.3","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br N O3 -","- C36 H26 Br N O3 -","- C144 H104 Br4 N4 O12 -","4","1","","Xu, Jianfeng; Yuan, Shiru; Miao, Maozhong; Chen, Zhengkai","1-Hydroxybenzotriazole-Assisted, N-Heterocyclic Carbene Catalyzed β-Functionalization of Saturated Carboxylic Esters: Access to Spirooxindole Lactones.","The Journal of organic chemistry","2016","81","22","11454","11460","10.1021/acs.joc.6b02032","","","0.71073","MoKα","","0.0647","0.0393","","","0.0633","0.0717","","","","","","1.011","","","","has coordinates","235979","2020-10-21","18:00:00",""
"4037339","6.8459","0.0003","8.6718","0.0003","29.3079","0.0011","90","","90","","90","","1739.9","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O5 -","- C19 H19 N3 O5 -","- C76 H76 N12 O20 -","4","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0421","0.0339","","","0.0709","0.0751","","","","","","1.043","","","","has coordinates","235981","2020-10-21","18:00:00",""
"4037340","9.4564","0.0002","11.1358","0.0002","20.344","0.0005","90","","90","","90","","2142.32","0.08","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 Cl3 N O5 Si2 -","- C14 H26 Cl3 N O5 Si2 -","- C56 H104 Cl12 N4 O20 Si8 -","4","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0254","0.0231","","","0.0524","0.0535","","","","","","1.026","","","","has coordinates","235983","2020-10-21","18:00:00",""
"4037341","10.7676","0.0004","6.1959","0.0002","13.8977","0.0005","90","","91.255","0.001","90","","926.96","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Cl3 N O6 -","- C17 H18 Cl3 N O6 -","- C34 H36 Cl6 N2 O12 -","2","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0325","0.0288","","","0.0584","0.0603","","","","","","1.041","","","","has coordinates","235985","2020-10-21","18:00:00",""
"4037342","8.2257","0.0004","8.6177","0.0004","9.4412","0.0004","90","","105.591","0.003","90","","644.63","0.05","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0484","0.036","","0.0476","0.0374","0.0357","","","","","","1.1258","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037343","7.7488","0.0002","11.5545","0.0003","13.9686","0.0004","90","","90","","90","","1250.66","0.06","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0361","0.0308","","0.0469","0.035","0.0336","","","","","","1.0627","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037344","6.4095","0.0017","13.267","0.003","7.6203","0.0019","90","","110.13","0.012","90","","608.4","0.3","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C28 H32 O8 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0834","0.0537","","0.0751","0.0554","0.0587","","","","","","1.1043","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037345","8.7432","0.0005","12.2122","0.0007","12.7131","0.0008","90","","90","","90","","1357.42","0.14","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O6 -","- C14 H20 O6 -","- C56 H80 O24 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0399","0.0314","","0.0524","0.0339","0.0321","","","","","","1.0609","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037346","6.2741","0.0008","13.1986","0.0016","19.138","0.002","90","","90","","90","","1584.8","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I O5 -","- C15 H21 I O5 -","- C60 H84 I4 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0942","0.0603","","0.0628","0.0546","0.0541","","","","","","1.0854","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037347","7.3214","0.0004","9.0142","0.0006","10.445","0.0006","90","","95.474","0.003","90","","686.19","0.07","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C30 H36 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0348","0.0341","","0.0375","0.0351","0.0348","","","","","","1.1221","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037348","7.6753","0.0006","9.7959","0.0007","23.2215","0.0017","90","","90","","90","","1745.9","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl O5 -","- C17 H25 Cl O5 -","- C68 H100 Cl4 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0261","0.026","","0.0298","0.0298","0.0294","","","","","","1.0925","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037349","10.6723","0.0007","7.1954","0.0004","11.9267","0.0008","90","","110.456","0.004","90","","858.11","0.1","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 Cl O5 -","- C17 H23 Cl O5 -","- C34 H46 Cl2 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0441","0.0413","","0.0487","0.0466","0.0461","","","","","","1.0949","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037350","7.162","0.0005","12.0359","0.0008","23.16","0.0014","90","","90","","90","","1996.4","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl O7 -","- C19 H25 Cl O7 -","- C76 H100 Cl4 O28 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0295","0.0277","","0.0333","0.0312","0.0305","","","","","","1.0976","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037351","9.561","0.007","11.973","0.008","14.769","0.009","94.018","0.014","106.912","0.014","109.068","0.014","1503.1","1.8","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Cl2 N O7 S -","- C29 H23 Br2 Cl2 N O7 S -","- C58 H46 Br4 Cl4 N2 O14 S2 -","2","1","","Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei","Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives.","The Journal of organic chemistry","2016","81","20","10071","10080","10.1021/acs.joc.6b02041","","","0.71073","MoKα","","0.0686","0.04","","","0.0877","0.1063","","","","","","1.012","","","","has coordinates","235991","2020-10-21","18:00:00",""
"4037352","8.6468","0.0004","28.2242","0.0013","11.8307","0.0005","90","","91.701","0.003","90","","2886","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H23 Br2 N O9 -","- C29 H23 Br2 N O9 -","- C116 H92 Br8 N4 O36 -","4","2","","Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei","Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives.","The Journal of organic chemistry","2016","81","20","10071","10080","10.1021/acs.joc.6b02041","","","0.71073","MoKα","","0.0911","0.043","","","0.0618","0.0726","","","","","","0.941","","","","has coordinates","235993","2020-10-21","18:00:00",""
"4037353","18.565","0.001","14.7048","0.0007","18.3354","0.0009","90","","97.703","0.002","90","","4960.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Br2 N O6 -","- C27 H21 Br2 N O6 -","- C216 H168 Br16 N8 O48 -","8","1","","Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei","Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives.","The Journal of organic chemistry","2016","81","20","10071","10080","10.1021/acs.joc.6b02041","","","0.71073","MoKα","","0.0792","0.0425","","","0.0841","0.0971","","","","","","1.005","","","","has coordinates","235995","2020-10-21","18:00:00",""
"4037354","8.4545","0.0009","11.2672","0.0012","14.7983","0.0015","90","","90","","90","","1409.7","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Weng, Chia-Hao; Hsu, Day-Shin; Liao, Chun-Chen","Application of Carbohydrate-Templated Asymmetric Diels-Alder Reaction to the Syntheses of ent-Penicillones A and B.","The Journal of organic chemistry","2016","81","22","11421","11426","10.1021/acs.joc.6b02055","","","0.71073","MoKα","","0.0671","0.0432","","","0.0947","0.1056","","","","","","1.029","","","","has coordinates","235997","2020-10-21","18:00:00",""
"4037355","9.469","0.002","9.7437","0.0017","24.586","0.004","90","","90","","90","","2268.4","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(5-((trimethylsilyl)oxy)-5H-dibenzo[a,d][7]annulen-5-yl)chroman-2-one","","- C27 H26 O3 Si -","- C27 H26 O3 Si -","- C108 H104 O12 Si4 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0963","0.0447","","","0.0565","0.0622","","","","","","1.002","","","","has coordinates","235999","2020-10-21","18:00:00",""
"4037356","10.058","0.004","14.875","0.004","13.023","0.006","90","","105.939","0.012","90","","1873.5","1.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(2-Hydroxyphenyl)-4-methyl-5,5-diphenyldihydrofuran-2(3H)-one","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1439","0.0522","","","0.1019","0.1221","","","","","","0.914","","","","has coordinates","236001","2020-10-21","18:00:00",""
"4037357","18.812","0.002","6.8495","0.0007","18.3943","0.0017","90","","48.205","0.003","90","","1767","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Hydroxydiphenylmethyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1165","0.043","","","0.0663","0.0741","","","","","","1.002","","","","has coordinates","236003","2020-10-21","18:00:00",""
"4037358","9.538","0.005","9.716","0.003","11.544","0.004","110.185","0.017","91.33","0.03","114.823","0.016","893.4","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-(Bis(4-fluorophenyl)methylene)-3-methylchroman-2-one","","- C23 H16 F2 O2 -","- C23 H16 F2 O2 -","- C46 H32 F4 O4 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0932","0.0419","","","0.0695","0.0755","","","","","","1.008","","","","has coordinates","236005","2020-10-21","18:00:00",""
"4037359","8.838","0.003","9.919","0.005","9.942","0.005","96.391","0.015","105.394","0.018","98.99","0.014","819.2","0.7","298","2","298","2","","","","","","","","3","P 1","P 1","1","","4-benzhydryl-2H-chromen-2-one","","- C22 H16 O2 -","- C22 H16 O2 -","- C44 H32 O4 -","2","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1098","0.0627","","","0.1427","0.1596","","","","","","0.971","","","","has coordinates","236007","2020-10-21","18:00:00",""
"4037360","8.708","0.004","9.023","0.004","10.758","0.005","79.51","0.04","74.7","0.04","89.79","0.03","800.8","0.7","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4-(9H-Xanthen-9-yl)-2H-chromen-2-one","","- C22 H14 O3 -","- C22 H14 O3 -","- C44 H28 O6 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1385","0.0725","","","0.1581","0.1817","","","","","","1.004","","","","has coordinates","236008","2020-10-21","18:00:00",""
"4037361","11.418","0.002","11.5134","0.0018","12.964","0.002","90","","90","","90","","1704.2","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-benzhydryl-3-methyl-2H-chromen-2-one","","- C23 H18 O2 -","- C23 H18 O2 -","- C92 H72 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0805","0.0369","","","0.0453","0.0479","","","","","","1.001","","","","has coordinates","236010","2020-10-21","18:00:00",""
"4037362","19.188","0.006","9.967","0.005","22.065","0.008","90","","117.29","0.02","90","","3750","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(2,2-Bis(4-fluorophenyl)-3-methyl-2,3-dihydrobenzofuran- 3-yl)acetic acid","","- C23 H18 F2 O3 -","- C23 H17 F2 O3 -","- C184 H136 F16 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1225","0.0708","","","0.1726","0.1982","","","","","","1.029","","","","has coordinates","236012","2020-10-21","18:00:00",""
"4037363","9.196","0.002","12.205","0.003","17.211","0.003","109.982","0.01","94.427","0.009","99.724","0.01","1770.3","0.7","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4-(2-hydroxyphenyl)-5,5-diphenyldihydrofuran-2(3H)-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1387","0.0528","","","0.0841","0.0974","","","","","","1.008","","","","has coordinates","236014","2020-10-21","18:00:00",""
"4037364","6.933","0.002","8.677","0.003","16.275","0.005","93.46","0.03","91.74","0.02","109.99","0.03","917","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2-(3H-spiro[benzofuran-2,5'-dibenzo[a,d][7]annulen]-3-yl)acetic acid","","- C24 H18 O3 -","- C24 H18 O3 -","- C48 H36 O6 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.071","0.0455","","","0.1107","0.1188","","","","","","1.067","","","","has coordinates","236016","2020-10-21","18:00:00",""
"4037365","16.63","0.007","6.464","0.003","34.227","0.013","90","","94.57","0.04","90","","3668","3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(10',11'-Dihydro-3H-spiro[benzofuran-2,5'-dibenzo[a,d][7]annulen]- 3-yl)acetic acid","","- C24 H20 O3 -","- C24 H20 O3 -","- C192 H160 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0722","0.0434","","","0.0971","0.1057","","","","","","1.023","","","","has coordinates","236018","2020-10-21","18:00:00",""
"4037366","9.5474","0.0008","13.3245","0.0012","15.2278","0.0017","90","","94.942","0.004","90","","1930","0.3","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","(3'R*,4'S*)-3'-(2-hydroxyphenyl)-4'-methyl-3',4'-dihydro-5'H-spiro[dibenzo[a,d][7]annulene-5,2'-furan]-5'-one","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0807","0.0368","","","0.0484","0.0519","","","","","","1","","","","has coordinates","236020","2020-10-21","18:00:00",""
"4037367","14.9752","0.0018","15.4208","0.0017","17.234","0.002","90","","90","","90","","3979.8","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3R*,4S*)-5,5-bis(4-fluorophenyl)-4-(2-hydroxyphenyl)-3-methyldihydrofuran-2(3H)-one","","- C23 H18 F2 O3 -","- C23 H18 F2 O4 -","- C184 H144 F16 O32 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1699","0.0454","","","0.0556","0.063","","","","","","1.033","","","","has coordinates","236022","2020-10-21","18:00:00",""
"4037368","7.369","0.015","14","0.03","18.06","0.05","106.5","0.2","100.9","0.2","100.08","0.15","1702","8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-3-methyl-2H-chromen-2-one","","- C25 H18 O2 -","- C25 H18 O2 -","- C100 H72 O8 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1886","0.0668","","","0.0743","0.0883","","","","","","1.041","","","","has coordinates","236024","2020-10-21","18:00:00",""
"4037369","11.924","0.0011","10.4468","0.0009","14.0038","0.0012","90","","94.79","0.003","90","","1738.3","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(5H-Dibenzo[a,d][7]annulen-5-yl)-2H-chromen-2-one","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1099","0.0522","","","0.0992","0.1137","","","","","","1.016","","","","has coordinates","236026","2020-10-21","18:00:00",""
"4037370","9.855","0.012","10.139","0.013","13.689","0.018","82.78","0.11","89.43","0.09","62.14","0.09","1198","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-(Bis(4-fluorophenyl)((trimethylsilyl)oxy)methyl)-4-methylchroman-2-one","","- C26 H26 F2 O3 Si -","- C26 H26 F2 O3 Si -","- C52 H52 F4 O6 Si2 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0872","0.0461","","","0.0897","0.0975","","","","","","1.005","","","","has coordinates","236028","2020-10-21","18:00:00",""
"4037371","10.3861","0.001","10.3861","0.001","19.4684","0.0018","90","","90","","120","","1818.7","0.3","298","2","298","2","","","","","","","","4","P 31","P 31","144","","(3R*,4S*)-3-methyl-4-(5-((trimethylsilyl)oxy)-5H-dibenzo[a,d][7]annulen- 5-yl)chroman-2-one","","- C28 H28 O3 Si -","- C28 H28 O3 Si -","- C84 H84 O9 Si3 -","3","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0892","0.0413","","","0.0536","0.0583","","","","","","1.004","","","","has coordinates","236030","2020-10-21","18:00:00",""
"4037372","14.206","0.004","17.517","0.005","15.368","0.003","90","","101.359","0.013","90","","3749.4","1.7","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-3-methylchroman-2-one","","- C25 H20 O2 -","- C25 H20 O2 -","- C200 H160 O16 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.2226","0.0502","","","0.0346","0.0422","","","","","","0.842","","","","has coordinates","236031","2020-10-21","18:00:00",""
"4037373","11.006","0.007","9.632","0.005","16.438","0.009","90","","101.05","0.02","90","","1710.3","1.7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-2H-chromen-2-one","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1203","0.0534","","","0.0962","0.1122","","","","","","0.993","","","","has coordinates","236033","2020-10-21","18:00:00",""
"4037374","9.966","0.004","15.177","0.006","15.388","0.005","90","","100.62","0.016","90","","2287.6","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Diphenyl((trimethylsilyl)oxy)methyl)-4-methylchroman-2-one","","- C26 H28 O3 Si -","- C26 H28 O3 Si -","- C104 H112 O12 Si4 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.2159","0.1134","","","0.3007","0.334","","","","","","1.022","","","","has coordinates","236034","2020-10-21","18:00:00",""
"4037375","13.968","0.005","15.996","0.004","13.8","0.004","90","","40.447","0.018","90","","2000.3","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (R*)-2-((S*)-2,2-bis(4-fluorophenyl)-2,3-dihydrobenzofuran-3-yl)propanoate","","- C24 H20 F2 O3 -","- C24 H20 F2 O3 -","- C96 H80 F8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1722","0.0454","","","0.0483","0.0561","","","","","","1.003","","","","has coordinates","236036","2020-10-21","18:00:00",""
"4037376","9.3736","0.0019","9.757","0.002","11.672","0.002","73.534","0.01","89.493","0.01","67.705","0.01","941.3","0.3","298","2","298","2","","","","","","","","3","P 1","P 1","1","","(3R*,4S*)-4-(2-hydroxyphenyl)-3-methyl-5,5-diphenyldihydrofuran-2(3H)-one","","- C23 H20 O3 -","- C23 H20 O3.5 -","- C46 H40 O7 -","2","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1235","0.0642","","","0.151","0.1655","","","","","","1.018","","","","has coordinates","236038","2020-10-21","18:00:00",""
"4037377","10.451","0.002","34.794","0.007","11.219","0.002","90","","104.42","0.03","90","","3951.1","1.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N O5 -","- C22 H20 Cl N O5 -","- C176 H160 Cl8 N8 O40 -","8","4","","Chen, Shanren; Wang, Youming; Zhou, Zhenghong","Organocatalyzed Asymmetric Michael Addition of 1-Acetylindolin-3-ones to β,γ-Unsaturated α-Ketoesters: An Access to Chiral Indolin-3-ones with Two Adjacent Tertiary Stereogenic Centers.","The Journal of organic chemistry","2016","81","22","11432","11438","10.1021/acs.joc.6b02070","","","0.71073","MoKα","","0.0718","0.0553","","","0.1259","0.1378","","","","","","1.027","","","","has coordinates,has disorder","236040","2020-10-21","18:00:00",""
"4037378","10.2007","0.0014","7.0368","0.001","17.31","0.002","90","","99.542","0.002","90","","1225.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O3 -","- C14 H11 N3 O3 -","- C56 H44 N12 O12 -","4","1","","Xu, Dongdong; Sun, Wen-Wu; Xie, Yanli; Liu, Ji-Kai; Liu, Bin; Zhou, Yingbi; Wu, Bin","Metal-Free Regioselective Hypervalent Iodine-Mediated C-2 and C-3 Difunctionalization of N-Substituted Indoles.","The Journal of organic chemistry","2016","81","22","11081","11094","10.1021/acs.joc.6b02078","","","0.71073","MoKα","","0.0427","0.0382","","","0.1067","0.1112","","","","","","1.031","","","","has coordinates","236042","2020-10-21","18:00:00",""
"4037379","12.794","0.0011","8.4331","0.0007","12.0362","0.001","90","","100.374","0.001","90","","1277.39","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cl3 N3 O -","- C12 H6 Cl3 N3 O -","- C48 H24 Cl12 N12 O4 -","4","1","","Xu, Dongdong; Sun, Wen-Wu; Xie, Yanli; Liu, Ji-Kai; Liu, Bin; Zhou, Yingbi; Wu, Bin","Metal-Free Regioselective Hypervalent Iodine-Mediated C-2 and C-3 Difunctionalization of N-Substituted Indoles.","The Journal of organic chemistry","2016","81","22","11081","11094","10.1021/acs.joc.6b02078","","","0.71073","MoKα","","0.0297","0.0275","","","0.0733","0.0746","","","","","","1.1","","","","has coordinates","236044","2020-10-21","18:00:00",""
"4037380","11.5675","0.0007","11.2489","0.0006","14.0766","0.0008","90","","110.77","0.003","90","","1712.63","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N3 O4 -","- C21 H13 N3 O4 -","- C84 H52 N12 O16 -","4","1","","Samanta, Sadhanendu; Mondal, Susmita; Santra, Sougata; Kibriya, Golam; Hajra, Alakananda","FeCl<sub>3</sub>-Catalyzed Cross-Dehydrogenative Coupling between Imidazoheterocycles and Oxoaldehydes.","The Journal of organic chemistry","2016","81","20","10088","10093","10.1021/acs.joc.6b02091","","","0.71073","MoKα","","0.0818","0.0601","","","0.1859","0.2163","","","","","","1.637","","","","has coordinates","236046","2020-10-21","18:00:00",""
"4037381","11.8416","0.0003","16.6527","0.0004","8.8363","0.0002","90","","107.638","0.002","90","","1660.56","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Nazir, Rashid; Stasyuk, Anton J.; Gryko, Daniel T.","Vertically π-Expanded Coumarins: The Synthesis and Optical Properties.","The Journal of organic chemistry","2016","81","22","11104","11114","10.1021/acs.joc.6b02094","","","1.54178","CuKα","","0.0805","0.0477","","","0.1232","0.1416","","","","","","0.994","","","","has coordinates","236049","2020-10-21","18:00:00",""
"4037382","9.8429","0.0004","15.4103","0.0007","15.007","0.0006","90","","101.052","0.004","90","","2234.08","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Mujahid, Mohammad; Aggarwal, Trapti; Verma, Akhilesh K.","Palladium-Catalyzed Intramolecular Fujiwara-Hydroarylation: Synthesis of Benzo[a]phenazines Derivatives.","The Journal of organic chemistry","2016","81","20","9912","9923","10.1021/acs.joc.6b02096","","","0.71073","MoKα","","0.0723","0.0585","","","0.1701","0.1799","","","","","","1.054","","","","has coordinates","236051","2020-10-21","18:00:00",""
"4037383","5.7605","0.0019","11.654","0.004","16.447","0.006","75.46","0.03","87.95","0.03","86.69","0.03","1066.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O3 -","- C26 H23 N3 O3 -","- C52 H46 N6 O6 -","2","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Mujahid, Mohammad; Aggarwal, Trapti; Verma, Akhilesh K.","Palladium-Catalyzed Intramolecular Fujiwara-Hydroarylation: Synthesis of Benzo[a]phenazines Derivatives.","The Journal of organic chemistry","2016","81","20","9912","9923","10.1021/acs.joc.6b02096","","","0.71073","MoKα","","0.1515","0.0615","","","0.1072","0.1456","","","","","","0.962","","","","has coordinates","236053","2020-10-21","18:00:00",""
"4037384","9.1891","0.0008","9.3749","0.0007","13.1478","0.0012","99.582","0.007","105.656","0.008","111.223","0.008","971.63","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C50 H40 N4 O6 -","2","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Mujahid, Mohammad; Aggarwal, Trapti; Verma, Akhilesh K.","Palladium-Catalyzed Intramolecular Fujiwara-Hydroarylation: Synthesis of Benzo[a]phenazines Derivatives.","The Journal of organic chemistry","2016","81","20","9912","9923","10.1021/acs.joc.6b02096","","","0.71073","MoKα","","0.0596","0.0465","","","0.1207","0.13","","","","","","1.046","","","","has coordinates","236055","2020-10-21","18:00:00",""
"4037385","20.5051","0.0006","6.0462","0.0002","12.2496","0.0003","90","","96.572","0.002","90","","1508.7","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SMHIX-057-2C","sarpong117","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.0671","0.0492","","","0.1143","0.1234","","","","","","1.017","","","","has coordinates","236057","2020-10-21","18:00:00",""
"4037386","16.6129","0.0009","21.6105","0.0011","9.1858","0.0004","90","","90","","90","","3297.8","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","SMHIX-077-1-Lrf","sarpong119","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C136 H128 N16 O32 -","8","1","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.0571","0.0472","","","0.1271","0.1353","","","","","","1.033","","","","has coordinates","236059","2020-10-21","18:00:00",""
"4037387","13.8124","0.0006","12.0304","0.0004","24.903","0.0012","90","","105.872","0.003","90","","3980.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","SMHIX-118C","sarpong120","","- C43 H38 Cl2 N4 O7 S2 -","- C43 H38 Cl2 N4 O7 S2 -","- C172 H152 Cl8 N16 O28 S8 -","4","1","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.0974","0.0846","","","0.2324","0.2489","","","","","","1.045","","","","has coordinates","236061","2020-10-21","18:00:00",""
"4037388","14.4287","0.0004","20.8084","0.0006","20.8192","0.0006","90","","106.013","0.002","90","","6008.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SMHVII-020C","sarpong81","","- C34 H34 N2 O7 -","- C34 H34 N2 O7 -","- C272 H272 N16 O56 -","8","2","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.099","0.0896","","","0.2587","0.2705","","","","","","1.052","","","","has coordinates","236063","2020-10-21","18:00:00",""
"4037389","18.523","0.005","14.642","0.004","5.1195","0.0015","90","","90","","90","","1388.5","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H11 Br N2 -","- C17 H11 Br N2 -","- C68 H44 Br4 N8 -","4","1","","Tan, Zhenda; Zhao, He; Zhou, Changjian; Jiang, Huanfeng; Zhang, Min","Aerobic Copper-Catalyzed Halocyclization of Methyl N-Heteroaromatics with Aliphatic Amines: Access to Functionalized Imidazo-Fused N-Heterocycles.","The Journal of organic chemistry","2016","81","20","9939","9946","10.1021/acs.joc.6b02117","","","0.71073","MoKα","","0.0927","0.053","","","0.1322","0.1622","","","","","","0.825","","","","has coordinates","236065","2020-10-21","18:00:00",""
"4037390","11.92","0.002","12.26","0.003","15.79","0.003","90","","90","","90","","2307.5","0.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 B2 Cl N O4 -","- C21 H34 B2 Cl N O4 -","- C84 H136 B8 Cl4 N4 O16 -","4","1","","Kaithal, Akash; Chatterjee, Basujit; Gunanathan, Chidambaram","Ruthenium-Catalyzed Selective Hydroboration of Nitriles and Imines.","The Journal of organic chemistry","2016","81","22","11153","11161","10.1021/acs.joc.6b02122","","x-ray","0.71073","MoKα","","0.0725","0.056","","","0.1383","0.1513","","","","","","1.029","","","","has coordinates","236067","2020-10-21","18:00:00",""
"4037391","6.206","0.005","10.587","0.005","22.58","0.005","90","","93.376","0.005","90","","1481","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl3 N2 O2 -","- C13 H13 Cl3 N2 O2 -","- C52 H52 Cl12 N8 O8 -","4","1","","Debbarma, Suvankar; Bera, Sourav Sekhar; Maji, Modhu Sudan","Cp*Rh(III)-Catalyzed Low Temperature C-H Allylation of N-Aryl-trichloro Acetimidamide.","The Journal of organic chemistry","2016","81","23","11716","11725","10.1021/acs.joc.6b02150","","","0.71069","MoKα","","0.0927","0.0583","","","0.1675","0.2051","","","","","","1.036","","","","has coordinates","236069","2020-10-21","18:00:00",""
"4037392","11.495","0.008","12.365","0.009","20.951","0.015","90","","90","","90","","2978","4","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O2 -","- C18 H11.5 Cl N O2 -","- C144 H92 Cl8 N8 O16 -","8","2","","Yu, Yulan; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Cyanomethylation and Cyclization of Aryl Alkynoates with Acetonitrile under Transition-Metal-Free Conditions: Synthesis of 3-Cyanomethylated Coumarins.","The Journal of organic chemistry","2016","81","22","11489","11495","10.1021/acs.joc.6b02155","","","0.71073","MoKα","","0.1843","0.1494","","","0.3343","0.3614","","","","","","1.317","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4037393","9.548","0.003","12.627","0.004","7.358","0.002","90","","109.129","0.003","90","","838.1","0.4","296","2","296.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H15 N O2 -","- C23 H15 N O2 -","- C46 H30 N2 O4 -","2","1","","Yu, Yulan; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Cyanomethylation and Cyclization of Aryl Alkynoates with Acetonitrile under Transition-Metal-Free Conditions: Synthesis of 3-Cyanomethylated Coumarins.","The Journal of organic chemistry","2016","81","22","11489","11495","10.1021/acs.joc.6b02155","","","0.71073","MoKα","","0.0264","0.0249","","","0.0647","0.0654","","","","","","1.04","","","","has coordinates","236072","2020-10-21","18:00:00",""
"4037394","6.3848","0.0016","20.457","0.005","16.933","0.004","90","","92.499","0.005","90","","2209.6","0.9","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H63 N5 O4 -","- C52 H63 N5 O4 -","- C104 H126 N10 O8 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.1633","0.0912","","","0.2728","0.3211","","","","","","1.02","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037395","6.3593","0.001","20.462","0.003","16.964","0.003","90","","92.531","0.003","90","","2205.3","0.6","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 N5 Ni O4 -","- C52 H61 N5 Ni O4 -","- C104 H122 N10 Ni2 O8 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.1248","0.0776","","","0.2029","0.2556","","","","","","0.853","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037396","6.3352","0.0004","20.2924","0.0012","17.032","0.001","90","","92.345","0.001","90","","2187.7","0.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 Cu N5 O4 -","- C52 H61 Cu N5 O4 -","- C104 H122 Cu2 N10 O8 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.0643","0.0519","","","0.1258","0.132","","","","","","1.117","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037397","6.4215","0.0014","20.52","0.004","16.966","0.004","90","","92.56","0.004","90","","2233.4","0.8","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 N5 O4 Pd -","- C52 H61 N5 O4 Pd -","- C104 H122 N10 O8 Pd2 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.1271","0.0926","","","0.2567","0.2709","","","","","","1.108","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037398","21.954","0.002","10.2145","0.0011","46.004","0.005","90","","101.588","0.002","90","","10106.1","1.8","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 N6 O4 -","- C55 H68 N6 O4 -","- C440 H544 N48 O32 -","8","2","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.2828","0.1173","","","0.2518","0.3371","","","","","","0.975","","","","has coordinates","236074","2020-10-21","18:00:00",""
"4037399","9.0184","0.0006","11.6977","0.0008","15.8224","0.001","90","","90","","90","","1669.18","0.19","296","2","296","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","(R,Z)-N-(3-Isopropyl-5-phenylthiazolidin-2-ylidene)aniline","","- C18 H20 N2 S -","- C18 H20 N2 S -","- C72 H80 N8 S4 -","4","1","","Sengoden, Mani; Irie, Ryo; Punniyamurthy, Tharmalingam","Enantiospecific Aluminum-Catalyzed (3+2) Cycloaddition of Unactivated Aziridines with Isothiocyanates.","The Journal of organic chemistry","2016","81","22","11508","11513","10.1021/acs.joc.6b02190","","","0.71073","MoKα","","0.1435","0.0817","","","0.2266","0.2662","","","","","","1.057","","","","has coordinates","236077","2020-10-21","18:00:00",""
"4037400","9.0561","0.0002","13.374","0.0003","14.87","0.0003","90","","90","","90","","1801","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","De, Subhadip; Das, Mrinal Kanti; Roy, Avishek; Bisai, Alakesh","Synthesis of 2-Oxindoles Sharing Vicinal All-Carbon Quaternary Stereocenters via Organocatalytic Aldol Reaction.","The Journal of organic chemistry","2016","81","24","12258","12274","10.1021/acs.joc.6b02195","","","0.71073","MoKα","","0.0406","0.0359","","","0.0882","0.0914","","","","","","1.266","","","","has coordinates","236080","2020-10-21","18:00:00",""
"4037401","12.50566","0.00018","7.58889","0.00009","22.4088","0.0004","90","","104.634","0.0016","90","","2057.7","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N4 Se -","- C25 H20 N4 Se -","- C100 H80 N16 Se4 -","4","1","","Funt, Liya D.; Tomashenko, Olesya A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Ivanov, Alexander Yu","Synthesis, Transformations of Pyrrole- and 1,2,4-Triazole-Containing Ensembles, and Generation of Pyrrole-Substituted Triazole NHC.","The Journal of organic chemistry","2016","81","22","11210","11221","10.1021/acs.joc.6b02200","","x-ray","1.54184","CuKα","","0.0272","0.0248","","","0.0646","0.0663","","","","","","1.036","","","","has coordinates","236082","2020-10-21","18:00:00",""
"4037402","9.1541","0.0003","10.3631","0.0003","11.9229","0.0004","84.026","0.003","76.615","0.003","78.823","0.003","1077.39","0.06","67","40","67","40","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 Br N4 -","- C25 H21 Br N4 -","- C50 H42 Br2 N8 -","2","1","","Funt, Liya D.; Tomashenko, Olesya A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Ivanov, Alexander Yu","Synthesis, Transformations of Pyrrole- and 1,2,4-Triazole-Containing Ensembles, and Generation of Pyrrole-Substituted Triazole NHC.","The Journal of organic chemistry","2016","81","22","11210","11221","10.1021/acs.joc.6b02200","","","0.71073","MoKα","","0.0327","0.0282","","","0.065","0.067","","","","","","1.051","","","","has coordinates","236084","2020-10-21","18:00:00",""
"4037403","9.251","0.0011","11.3325","0.0013","20.531","0.002","90","","90","","90","","2152.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","","Wang, Cong-Shuai; Fan, Tao; Zhang, Hong-Hao; Li, Can; Shen, Yang; Mei, Guang-Jian; Shi, Feng","Gallium Bromide-Promoted Dearomative Indole Insertion in 3-Indolylmethanols: Chemoselective and (Z/E)-Selective Synthesis of 3,3'-Bisindole Derivatives.","The Journal of organic chemistry","2016","81","23","11734","11742","10.1021/acs.joc.6b02201","","","0.71073","MoKα","","0.0596","0.0396","","","0.0979","0.1095","","","","","","1.057","","","","has coordinates","236086","2020-10-21","18:00:00",""
"4037404","10.0804","0.0004","13.1042","0.0006","15.9458","0.0007","90","","105.516","0.002","90","","2029.6","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","","Wang, Cong-Shuai; Fan, Tao; Zhang, Hong-Hao; Li, Can; Shen, Yang; Mei, Guang-Jian; Shi, Feng","Gallium Bromide-Promoted Dearomative Indole Insertion in 3-Indolylmethanols: Chemoselective and (Z/E)-Selective Synthesis of 3,3'-Bisindole Derivatives.","The Journal of organic chemistry","2016","81","23","11734","11742","10.1021/acs.joc.6b02201","","","0.71073","MoKα","","0.0774","0.049","","","0.1306","0.1539","","","","","","1.061","","","","has coordinates","236087","2020-10-21","18:00:00",""
"4037405","6.9864","0.0006","30.542","0.002","11.0261","0.0008","90","","106.329","0.008","90","","2257.8","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H19 Cl N4 O2 Si -","- C23 H19 Cl N4 O2 Si -","- C92 H76 Cl4 N16 O8 Si4 -","4","1","","Golubev, Pavel; Karpova, Ekaterina A.; Pankova, Alena S.; Sorokina, Mariia; Kuznetsov, Mikhail A.","Regioselective Synthesis of 7-(Trimethylsilylethynyl)pyrazolo[1,5-a]pyrimidines via Reaction of Pyrazolamines with Enynones.","The Journal of organic chemistry","2016","81","22","11268","11275","10.1021/acs.joc.6b02217","","","0.71073","MoKα","","0.0362","0.0339","","","0.1052","0.1095","","","","","","0.884","","","","has coordinates","236089","2020-10-21","18:00:00",""
"4037406","17.068","0.003","11.049","0.002","16.748","0.003","90","","112.11","0.03","90","","2926.2","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","1","","Hu, Weigao; Zheng, Jia; Li, Jianxiao; Liu, Bifu; Wu, Wanqing; Liu, Haiyang; Jiang, Huanfeng","Assembly of Polysubstituted Maleimides via Palladium-Catalyzed Cyclization Reaction of Alkynes with Isocyanides.","The Journal of organic chemistry","2016","81","24","12451","12458","10.1021/acs.joc.6b02227","","","0.71073","MoKα","","0.0563","0.038","","","0.1238","0.148","","","","","","1.108","","","","has coordinates","236091","2020-10-21","18:00:00",""
"4037407","26.5471","0.0007","10.0841","0.0003","27.9848","0.0008","90","","119.013","0.002","90","","6551.5","0.3","123","","123","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 -","- C47 H36 -","- C376 H288 -","8","1","","Ravat, Prince; Ribar, Peter; Rickhaus, Michel; Häussinger, Daniel; Neuburger, Markus; Juríček, Michal","Spin-Delocalization in a Helical Open-Shell Hydrocarbon.","The Journal of organic chemistry","2016","81","24","12303","12317","10.1021/acs.joc.6b02246","","","1.34143","GaKα","","0.0418","0.035","","0.0477","0.0402","0.0397","","","","","","1.1027","","","","has coordinates","236097","2020-10-21","18:00:00",""
"4037408","6.3779","0.0003","19.36","0.0008","31.3111","0.0012","90","","90","","90","","3866.2","0.3","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 O -","- C29 H22 O -","- C232 H176 O8 -","8","2","","Ravat, Prince; Ribar, Peter; Rickhaus, Michel; Häussinger, Daniel; Neuburger, Markus; Juríček, Michal","Spin-Delocalization in a Helical Open-Shell Hydrocarbon.","The Journal of organic chemistry","2016","81","24","12303","12317","10.1021/acs.joc.6b02246","","","1.34143","GaKα","","0.0546","0.0311","","0.0353","0.0266","0.0309","","","","","","0.8938","","","","has coordinates,has disorder","236099","2020-10-21","18:00:00",""
"4037409","17.0118","0.0018","10.9267","0.0011","20.145","0.003","90","","90","","90","","3744.6","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","1","","Hao, Wen-Juan; Gao, Qian; Jiang, Bo; Liu, Feng; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Base-Promoted [4 + 1]/[3 + 1 + 1] Bicyclization for Accessing Functionalized Indeno[1,2-c]furans.","The Journal of organic chemistry","2016","81","22","11276","11281","10.1021/acs.joc.6b02249","","","0.71073","MoKα","","0.1398","0.0641","","","0.123","0.1463","","","","","","1.026","","","","has coordinates,has disorder","236100","2020-10-21","18:00:00",""
"4037410","13.9787","0.0005","8.8699","0.0003","17.877","0.0006","90","","93.978","0.001","90","","2211.22","0.13","180","2","180","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H19 N O3 S2 -","- C26 H19 N O3 S2 -","- C104 H76 N4 O12 S8 -","4","1","","Galangau, Olivier; Delbaere, Stéphanie; Ratel-Ramond, Nicolas; Rapenne, Gwénaël; Li, Ruiji; Calupitan, Jan Patrick Dela Cruz; Nakashima, Takuya; Kawai, Tsuyoshi","Dual Photochemical Bond Cleavage for a Diarylethene-Based Phototrigger Containing both Methanolic and Acetic Sources.","The Journal of organic chemistry","2016","81","22","11282","11290","10.1021/acs.joc.6b02256","","","0.71073","MoKα","","0.0678","0.0528","","","","0.1486","","","","","","1.012","","","","has coordinates","236102","2020-10-21","18:00:00",""
"4037411","10.7644","0.0005","16.2126","0.0007","24.4126","0.0013","90","","90","","90","","4260.5","0.4","180","2","180","2","","","","","","","","5","P b 21 a","P -2a -2ab","29","","","","- C25 H19 N O2 S2 -","- C25 H19 N O2 S2 -","- C200 H152 N8 O16 S16 -","8","2","","Galangau, Olivier; Delbaere, Stéphanie; Ratel-Ramond, Nicolas; Rapenne, Gwénaël; Li, Ruiji; Calupitan, Jan Patrick Dela Cruz; Nakashima, Takuya; Kawai, Tsuyoshi","Dual Photochemical Bond Cleavage for a Diarylethene-Based Phototrigger Containing both Methanolic and Acetic Sources.","The Journal of organic chemistry","2016","81","22","11282","11290","10.1021/acs.joc.6b02256","","","0.71073","MoKα","","0.0501","0.0384","","","","0.1126","","","","","","1.061","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037412","8.977","0.0003","10.9223","0.0004","11.4891","0.0004","90","","90.838","0.003","90","","1126.38","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O5 -","- C25 H36 O5 -","- C50 H72 O10 -","2","1","","Letort, Aurélien; Long, De-Liang; Prunet, Joëlle","Study of Cascade Ring-Closing Metathesis Reactions en Route to an Advanced Intermediate of Taxol.","The Journal of organic chemistry","2016","81","24","12318","12331","10.1021/acs.joc.6b02264","","","1.54178","CuKα","","0.0247","0.0246","","","0.0648","0.0649","","","","","","1.043","","","","has coordinates","236105","2020-10-21","18:00:00",""
"4037413","7.112","0.002","8.573","0.003","10.427","0.003","93.082","0.007","90.137","0.008","91.869","0.008","634.5","0.3","293","","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C12 H11 N2 O4 P -","- C12 H11 N2 O4 P -","- C24 H22 N4 O8 P2 -","2","1","","Chaturvedi, Atul Kumar; Kant, Ruchir; Rastogi, Namrata","Access to the Phosphorylindenopyrazole Scaffold via a Metal-Free Domino Reaction of Diazoalkylphosphonates with 3-Bromophthalides.","The Journal of organic chemistry","2016","81","22","11291","11296","10.1021/acs.joc.6b02267","","","0.71075","MoKα","","0.0559","0.0509","","","0.1381","0.1428","","","","","","1.065","","","","has coordinates","236107","2020-10-21","18:00:00",""
"4037414","28.3091","0.001","23.6454","0.0008","5.2375","0.0001","90","","90","","90","","3505.88","0.18","293","1","293","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H37 N5 O8 -","- C31 H37 N5 O8 -","- C124 H148 N20 O32 -","4","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","1.5418","CuKα","","0.1005","0.0767","","","0.208","0.2311","","","","","","1.081","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4037415","27.8709","0.0006","27.8709","0.0006","5.9519","0.0002","90","","90","","120","","4003.95","0.18","293","2","293","1","","","","","","","","4","P 65","P 65","170","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C156 H168 N24 O36 -","6","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","1.5418","CuKα","","0.0421","0.0374","","","0.1147","0.1192","","","","","","1.104","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4037416","28.49","0.005","28.49","0.005","5.767","0.005","90","0.005","90","0.005","120","0.005","4054","4","293","2","293","2","","","","","","","","4","P 61","P 61","169","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C156 H168 N24 O36 -","6","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","0.71073","","","0.1622","0.1082","","","0.2051","0.2566","","","","","","1.256","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4037417","9.407","0.0008","13.2405","0.0011","15.2351","0.0014","90","","90","","90","","1897.6","0.3","258","2","258","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O2 S -","- C23 H18 O2 S -","- C92 H72 O8 S4 -","4","1","","Gao, Wen-Chao; Liu, Tao; Zhang, Bing; Li, Xing; Wei, Wen-Long; Liu, Qiang; Tian, Jun; Chang, Hong-Hong","Synthesis of 3-Sulfenylated Coumarins: BF<sub>3</sub>·Et<sub>2</sub>O-Mediated Electrophilic Cyclization of Aryl Alkynoates Using N-Sulfanylsuccinimides.","The Journal of organic chemistry","2016","81","22","11297","11304","10.1021/acs.joc.6b02271","","","0.71073","MoKα","","0.0448","0.0356","","","0.0832","0.0889","","","","","","1.063","","","","has coordinates","236112","2020-10-21","18:00:00",""
"4037418","10.8372","0.0005","10.5719","0.0005","16.5469","0.0008","90","","90.413","0.001","90","","1895.73","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N3 O -","- C22 H18 Cl N3 O -","- C88 H72 Cl4 N12 O4 -","4","1","","Shakoor, S. M. Abdul; Kumari, Santosh; Khullar, Sadhika; Mandal, Sanjay K.; Kumar, Anil; Sakhuja, Rajeev","Ruthenium(II)-Catalyzed Regioselective Ortho Amidation of Imidazo Heterocycles with Isocyanates.","The Journal of organic chemistry","2016","81","24","12340","12349","10.1021/acs.joc.6b02282","","","0.71073","MoKα","","0.0637","0.046","","","0.1098","0.1202","","","","","","1.057","","","","has coordinates","236113","2020-10-21","18:00:00",""
"4037419","9.518","0.003","11.375","0.004","16.123","0.005","90","","91.368","0.005","90","","1745.1","1","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 F N2 O -","- C18 H23 F N2 O -","- C72 H92 F4 N8 O4 -","4","1","","He, Yan; Wang, Ying-Chun; Hu, Kun; Xu, Xiao-Ling; Wang, Heng-Shan; Pan, Ying-Ming","Palladium-Catalyzed Synthesis of 5-Iminopyrrolones through Isocyanide Double Insertion Reaction with Terminal Alkynes and Water.","The Journal of organic chemistry","2016","81","23","11813","11818","10.1021/acs.joc.6b02288","","","0.71073","MoKα","","0.0844","0.0697","","","0.1695","0.1892","","","","","","1.085","","","","has coordinates","236115","2020-10-21","18:00:00",""
"4037420","8.457","0.004","9.132","0.004","14.715","0.007","75.15","0.005","76.225","0.006","79.774","0.006","1058.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 B2 Cl6 F4 N4 -","- C40 H38 B2 Cl6 F4 N4 -","- C40 H38 B2 Cl6 F4 N4 -","1","0.5","","Wang, Jun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan","Aromatic Ring Fused BOPHYs as Stable Red Fluorescent Dyes.","The Journal of organic chemistry","2016","81","22","11316","11323","10.1021/acs.joc.6b02291","","","0.71073","MoKα","","0.1448","0.0781","","","0.2015","0.2429","","","","","","1.01","","","","has coordinates,has disorder","236117","2020-10-21","18:00:00",""
"4037421","20.9818","0.0003","8.85852","0.0001","8.04013","0.0001","90","","90","","90","","1494.4","0.03","123","","123","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.0358","0.0328","","","0.0862","0.0896","","","","","","1.051","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037422","8.35321","0.00019","18.1932","0.0003","12.3367","0.0003","90","","109.572","0.0013","90","","1766.51","0.07","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 I N -","- C22 H20 I N -","- C88 H80 I4 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.0456","0.0409","","","0.0977","0.1004","","","","","","1.06","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037423","11.207","","15.4001","","22.8622","","90","","104.655","","90","","3817.39","","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl I N O0.5 -","- C22 H19 Cl I N O0.5 -","- C176 H152 Cl8 I8 N8 O4 -","8","2","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.1144","0.0987","","","0.2494","0.2655","","","","","","1.045","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037424","13.9423","0.0004","12.4203","0.0004","10.2736","0.0003","90","","93.61","0.0015","90","","1775.52","0.09","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 -","- C23 H22 N2 -","- C92 H88 N8 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.1184","0.0786","","","0.2091","0.2908","","","","","","1.2","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037425","7.08828","0.00014","8.6929","0.0002","12.9545","0.0003","80.9586","0.0014","77.796","0.0015","69.4027","0.0013","727.32","0.03","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.082","0.0647","","","0.1952","0.2123","","","","","","1.129","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037426","8.4704","0.0003","12.2155","0.0004","16.9196","0.0005","90","","90","","90","","1750.67","0.1","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.0408","0.0383","","","0.084","0.0853","","","","","","1.042","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037427","11.7023","0.0008","14.8726","0.0009","7.8369","0.0005","90","","104.147","0.002","90","","1322.6","0.15","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Mal, Dipakranjan; Jana, Supriti","Transpositive Tandem Annulation of Phthalides with Allene Carboxylates: Regioselective Synthesis of Arylnaphthalene Lignans.","The Journal of organic chemistry","2016","81","23","11857","11865","10.1021/acs.joc.6b02313","","","0.71073","MoKα","","0.1027","0.068","","","0.1622","0.1826","","","","","","1.027","","","","has coordinates","236122","2020-10-21","18:00:00",""
"4037428","8.283","0.013","9.617","0.015","15.51","0.02","96.05","0.03","101.76","0.03","107.07","0.03","1138","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 B F4 N2 O0 -","- C28 H21 B F4 N2 -","- C56 H42 B2 F8 N4 -","2","1","","Yang, Yuhan; Li, Bo; Liu, Wenmin; Zhang, Rumeng; Yu, Lintao; Ma, Qin-Ge; Lv, Rongrong; Du, Donghua; Li, Ting","Cp*Co<sup>III</sup>-Catalyzed Synthesis of Pyrido[2',1':2,3]pyrimido[1,6-a]indol-5-iums via Tandem C-H Activation and Subsequent Annulation from 1-(Pyridin-2-yl)-1H-indoles and Internal Alkynes.","The Journal of organic chemistry","2016","81","22","11335","11345","10.1021/acs.joc.6b02314","","","0.71073","MoKα","","0.1416","0.0774","","","0.2262","0.2757","","","","","","0.798","","","","has coordinates","236124","2020-10-21","18:00:00",""
"4037429","9.2233","0.0008","10.5382","0.0009","10.6723","0.0011","112.14","0.009","107.168","0.008","99.308","0.007","873.25","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl N3 O2 -","- C20 H16 Cl N3 O2 -","- C40 H32 Cl2 N6 O4 -","2","1","","Lester, Roy P.; Bham, Travis; Bousfield, Thomas W.; Lewis, William; Camp, Jason E.","Exploring the Reactivity of 2-Trichloromethylbenzoxazoles for Access to Substituted Benzoxazoles.","The Journal of organic chemistry","2016","81","24","12472","12477","10.1021/acs.joc.6b02315","","x-ray","1.54184","CuKα","","0.0628","0.0538","","","0.1372","0.1463","","","","","","1.044","","","","has coordinates","236126","2020-10-21","18:00:00",""
"4037430","7.38358","0.0001","12.1552","0.0002","11.29082","0.00016","90","","97.5772","0.0013","90","","1004.49","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl3 N O2 -","- C8 H6 Cl3 N O2 -","- C32 H24 Cl12 N4 O8 -","4","1","","Lester, Roy P.; Bham, Travis; Bousfield, Thomas W.; Lewis, William; Camp, Jason E.","Exploring the Reactivity of 2-Trichloromethylbenzoxazoles for Access to Substituted Benzoxazoles.","The Journal of organic chemistry","2016","81","24","12472","12477","10.1021/acs.joc.6b02315","","x-ray","1.54184","CuKα","","0.0251","0.0245","","","0.0654","0.0658","","","","","","1.098","","","","has coordinates","236128","2020-10-21","18:00:00",""
"4037431","8.979","0.0014","9.3904","0.0011","10.0838","0.0016","92.525","0.012","107.455","0.014","111.917","0.013","740.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cl N3 O -","- C16 H20 Cl N3 O -","- C32 H40 Cl2 N6 O2 -","2","1","","Lester, Roy P.; Bham, Travis; Bousfield, Thomas W.; Lewis, William; Camp, Jason E.","Exploring the Reactivity of 2-Trichloromethylbenzoxazoles for Access to Substituted Benzoxazoles.","The Journal of organic chemistry","2016","81","24","12472","12477","10.1021/acs.joc.6b02315","","x-ray","1.54184","CuKα","","0.0451","0.0421","","","0.113","0.1161","","","","","","1.054","","","","has coordinates,has disorder","236130","2020-10-21","18:00:00",""
"4037432","11.3522","0.0005","8.1594","0.0003","20.5295","0.0008","90","","96.923","0.004","90","","1887.72","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 S -","- C23 H17 N3 O2 S -","- C92 H68 N12 O8 S4 -","4","1","","Mannes, Philip Z.; Onyango, Evans O.; Gribble, Gordon W.","Synthesis of a Masked 2,3-Diaminoindole.","The Journal of organic chemistry","2016","81","24","12478","12481","10.1021/acs.joc.6b02318","","","1.54184","CuKα","","0.0503","0.0424","","","0.1064","0.113","","","","","","1.044","","","","has coordinates","236132","2020-10-21","18:00:00",""
"4037433","21.8061","0.0011","21.8061","0.0011","18.3306","0.0014","90","","90","","90","","8716.3","0.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C384 H336 N16 O48 S16 -","16","1","","Li, Tengfei; Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Ruthenium-Catalyzed [3 + 2] Cycloaddition of 2H-Azirines with Alkynes: Access to Polysubstituted Pyrroles.","The Journal of organic chemistry","2016","81","23","12031","12037","10.1021/acs.joc.6b02322","","","0.71073","MoKα","","0.1293","0.0814","","","0.2327","0.2829","","","","","","1.047","","","","has coordinates,has disorder","236134","2020-10-21","18:00:00",""
"4037434","11.6937","0.0018","17.642","0.003","10.9905","0.0016","90","","114.645","0.003","90","","2060.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Li, Tengfei; Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Ruthenium-Catalyzed [3 + 2] Cycloaddition of 2H-Azirines with Alkynes: Access to Polysubstituted Pyrroles.","The Journal of organic chemistry","2016","81","23","12031","12037","10.1021/acs.joc.6b02322","","","0.71073","MoKα","","0.0762","0.0468","","","0.1135","0.1278","","","","","","1.001","","","","has coordinates","236136","2020-10-21","18:00:00",""
"4037435","19.517","0.008","11.699","0.005","7.487","0.003","90","","93.387","0.007","90","","1706.5","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br -","- C24 H17 Br -","- C96 H68 Br4 -","4","1","","Wang, Zhan-Yong; Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","N-Heterocyclic Carbene/Lewis Acid Dual Catalysis for the Divergent Construction of Enantiopure Bridged Lactones and Fused Indenes.","The Journal of organic chemistry","2016","81","23","11871","11881","10.1021/acs.joc.6b02329","","","0.71073","MoKα","","0.0751","0.0701","","","0.1788","0.1807","","","","","","1.3","","","","has coordinates,has disorder","236138","2020-10-21","18:00:00",""
"4037436","9.281","0.005","8.269","0.005","12.552","0.007","90","","98.586","0.009","90","","952.5","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 Br O3 -","- C25 H19 Br O3 -","- C50 H38 Br2 O6 -","2","1","","Wang, Zhan-Yong; Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","N-Heterocyclic Carbene/Lewis Acid Dual Catalysis for the Divergent Construction of Enantiopure Bridged Lactones and Fused Indenes.","The Journal of organic chemistry","2016","81","23","11871","11881","10.1021/acs.joc.6b02329","","","0.71073","MoKα","","0.0445","0.0409","","","0.097","0.0985","","","","","","0.982","","","","has coordinates","236140","2020-10-21","18:00:00",""
"4037437","8.496","0.0002","8.7468","0.0002","10.9511","0.0002","89.127","0.001","74.606","0.001","71.042","0.001","739.8","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'2,12-Dicarboethoxy-5,15-diethyl-8,8,18,18-tetramethylbacteriochlorin'","","- C34 H42 N4 O4 -","- C34 H42 N4 O4 -","- C34 H42 N4 O4 -","1","0.5","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.0535","0.0431","","","0.1116","0.1216","","","","","","1.043","","","","has coordinates","236143","2020-10-21","18:00:00",""
"4037438","6.061","0.0002","10.9177","0.0003","11.638","0.0003","81.422","0.002","86.977","0.002","81.179","0.001","752.14","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'5-(tert-Butoxycarbonyl)-(E)-2-[(4,4-dimethyl-5-oxodihydrofuran-2(3H)-ylidene)methyl]pyrrole'","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.052","0.041","","","0.1071","0.1146","","","","","","1.045","","","","has coordinates","236145","2020-10-21","18:00:00",""
"4037439","13.9987","0.0005","9.7515","0.0004","14.8006","0.0006","90","","99.383","0.001","90","","1993.37","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'4-Carboethoxy-3-ethyl-2-[(4,4-dimethyl-5-oxodihydrofuran-2(3H)-ylidene)(p-tolyl)methyl] pyrrole'","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.0522","0.0437","","","0.1141","0.1205","","","","","","1.044","","","","has coordinates","236147","2020-10-21","18:00:00",""
"4037440","7.934","0.01","8.377","0.01","14.692","0.017","77.68","0.03","83.36","0.05","75.72","0.03","922.5","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'2,12-Diethoxycarbonyl-8,8,18,18-tetramethyl-5,15-di-p-tolylbacteriochlorin'","","- C44 H46 N4 O4 -","- C44 H46 N4 O4 -","- C44 H46 N4 O4 -","1","0.5","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.1013","0.0797","","","0.2129","0.232","","","","","","1.029","","","","has coordinates","236149","2020-10-21","18:00:00",""
"4037441","17.1594","0.0005","9.52","0.0003","13.9945","0.0004","90","","94.193","0.003","90","","2279.99","0.12","294.06","0.1","294.06","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O6 S2 -","- C24 H22 N2 O6 S2 -","- C96 H88 N8 O24 S8 -","4","1","","Xia, Xiao-Feng; Zhu, Su-Li; Liu, Jian-Biao; Wang, Dawei; Liang, Yong-Min","Copper-Catalyzed Radical-Promoted Aminocyclization of Acrylamides with N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2016","81","24","12482","12488","10.1021/acs.joc.6b02337","","x-ray","0.71073","MoKα","","0.0648","0.0458","","","0.1019","0.116","","","","","","1.051","","","","has coordinates","236151","2020-10-21","18:00:00",""
"4037442","9.7331","0.0007","10.0362","0.0007","10.1379","0.0007","84.043","0.003","81.838","0.003","75.748","0.003","947.65","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Baumann, Marcus; Baxendale, Ian R.","Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.","The Journal of organic chemistry","2016","81","23","11898","11908","10.1021/acs.joc.6b02346","","x-ray","0.71073","MoKα","","0.0726","0.048","","","0.1153","0.1289","","","","","","1.023","","","","has coordinates","236154","2020-10-21","18:00:00",""
"4037443","19.8948","0.0009","9.9946","0.0005","23.9226","0.0011","90","","90","","90","","4756.8","0.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 F3 N O6 -","- C24 H30 F3 N O6 -","- C192 H240 F24 N8 O48 -","8","1","","Baumann, Marcus; Baxendale, Ian R.","Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.","The Journal of organic chemistry","2016","81","23","11898","11908","10.1021/acs.joc.6b02346","","x-ray","0.71073","MoKα","","0.0645","0.0449","","","0.0998","0.1094","","","","","","1.033","","","","has coordinates,has disorder","236154","2020-10-21","18:00:00",""
"4037444","9.3392","0.0006","12.0373","0.0008","25.2796","0.0017","101.028","0.003","92.592","0.003","111.947","0.003","2565.9","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 F7 N O5 -","- C25 H28 F7 N O5 -","- C100 H112 F28 N4 O20 -","4","2","","Baumann, Marcus; Baxendale, Ian R.","Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.","The Journal of organic chemistry","2016","81","23","11898","11908","10.1021/acs.joc.6b02346","","x-ray","0.71073","MoKα","","0.1057","0.0855","","","0.2158","0.2254","","","","","","1.086","","","","has coordinates,has disorder","236154","2020-10-21","18:00:00",""
"4037445","8.364","0.0004","11.4403","0.0008","21.0151","0.001","90","","90","","90","","2010.9","0.2","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl N2 O -","- C22 H29 Cl N2 O -","- C88 H116 Cl4 N8 O4 -","4","1","","Boratyński, Przemysław J; Kowalczyk, Rafał; Kobylańska, Anna; Bąkowicz, Julia","Tricyclic Quaternary Ammonium Salts Derived from Cinchona Alkaloids.","The Journal of organic chemistry","2016","81","24","12489","12493","10.1021/acs.joc.6b02348","","","0.71073","MoKα","","0.1059","0.062","","","0.1275","0.1497","","","","","","1.038","","","","has coordinates","236156","2020-10-21","18:00:00",""
"4037446","11.2233","0.001","8.5345","0.0008","18.1559","0.0017","90","","93.8485","0.0014","90","","1735.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br2 O -","- C19 H18 Br2 O -","- C76 H72 Br8 O4 -","4","1","","Schatz, Devon J.; Kwon, Yonghoon; Scully, Thomas W.; West, F. G.","Interrupting the Nazarov Cyclization with Bromine.","The Journal of organic chemistry","2016","81","24","12494","12498","10.1021/acs.joc.6b02350","","","0.71073","MoKα","","0.0448","0.0333","","","0.0761","0.0798","","","","","","1.023","","","","has coordinates","236158","2020-10-21","18:00:00",""
"4037447","7.0355","0.0018","7.546","0.003","22.72","0.011","90","","90","","90","","1206.2","0.8","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-(m-tolyl)pyrido[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine","","- C15 H11 N5 -","- C15 H11 N5 -","- C60 H44 N20 -","4","1","","Champiré, Anthony; Vala, Christine; Laabid, Achraf; Benharref, Ahmed; Marchivie, Mathieu; Plé, Karen; Routier, Sylvain","Controlled Dimroth Rearrangement in the Suzuki-Miyaura Cross Coupling of Triazolopyridopyrimidines.","The Journal of organic chemistry","2016","81","24","12506","12513","10.1021/acs.joc.6b02357","","","0.71073","MoKα","","0.049","0.038","","","0.0855","0.0899","","","","","","1.05","","","","has coordinates","236160","2020-10-21","18:00:00",""
"4037448","11.1186","0.0003","7.5404","0.0003","14.6472","0.0007","90","","96.123","0.003","90","","1221","0.08","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(m-tolyl)pyrido[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine","","- C15 H11 N5 -","- C15 H11 N5 -","- C60 H44 N20 -","4","1","","Champiré, Anthony; Vala, Christine; Laabid, Achraf; Benharref, Ahmed; Marchivie, Mathieu; Plé, Karen; Routier, Sylvain","Controlled Dimroth Rearrangement in the Suzuki-Miyaura Cross Coupling of Triazolopyridopyrimidines.","The Journal of organic chemistry","2016","81","24","12506","12513","10.1021/acs.joc.6b02357","","","0.71073","MoKα","","0.0454","0.0374","","","0.0932","0.0978","","","","","","1.048","","","","has coordinates","236160","2020-10-21","18:00:00",""
"4037449","9.279","0.0006","9.4625","0.0005","12.2999","0.0008","77.479","0.005","82.454","0.005","62.81","0.006","937.13","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C40 H42 N2 O12 -","2","1","","Obydennov, Dmitrii L.; Pan'kina, Ekaterina O.; Sosnovskikh, Vyacheslav Y.","Synthesis of Diketohexenoic Acid Derivatives by Alkenylation of Indoles and Pyrroles with 4-Pyrones.","The Journal of organic chemistry","2016","81","24","12532","12539","10.1021/acs.joc.6b02364","","","0.7107","MoKα","","0.102444","0.06013","","","","0.189314","","","","","","1.00216","","","","has coordinates","236162","2020-10-21","18:00:00",""
"4037450","9.1149","0.0006","9.5692","0.0007","10.4084","0.0006","75.458","0.005","70.092","0.006","70.295","0.007","794.03","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O6 -","- C16 H19 N O6 -","- C32 H38 N2 O12 -","2","1","","Obydennov, Dmitrii L.; Pan'kina, Ekaterina O.; Sosnovskikh, Vyacheslav Y.","Synthesis of Diketohexenoic Acid Derivatives by Alkenylation of Indoles and Pyrroles with 4-Pyrones.","The Journal of organic chemistry","2016","81","24","12532","12539","10.1021/acs.joc.6b02364","","","0.7107","MoKα","","0.059","0.0462","","","0.1324","0.1445","","","","","","1.017","","","","has coordinates","236164","2020-10-21","18:00:00",""
"4037451","11.6977","0.0005","14.2227","0.0006","39.3907","0.0013","90","","90","","90","","6553.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H30 N4 Ni -","- C46 H30 N4 Ni -","- C368 H240 N32 Ni8 -","8","2","","Sharma, Meenakshi; Banerjee, Subhadeep; Zeller, Matthias; Brückner, Christian","Fusion and Desulfurization Reactions of Thiomorpholinochlorins.","The Journal of organic chemistry","2016","81","24","12350","12356","10.1021/acs.joc.6b02383","","","1.54178","CuKα","","0.1072","0.0925","","","0.2389","0.2592","","","","","","1.021","","","","has coordinates,has disorder","236166","2020-10-21","18:00:00",""
"4037452","41.282","0.0005","41.282","0.0005","14.1626","0.0002","90","","90","","120","","20902.3","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C53.794 H48.186 N4 Ni S -","- C53.794 H48.186 N4 Ni S -","- C968.292 H867.348 N72 Ni18 S18 -","18","1","","Sharma, Meenakshi; Banerjee, Subhadeep; Zeller, Matthias; Brückner, Christian","Fusion and Desulfurization Reactions of Thiomorpholinochlorins.","The Journal of organic chemistry","2016","81","24","12350","12356","10.1021/acs.joc.6b02383","","","1.54178","CuKα","","0.0636","0.0622","","","0.1423","0.1432","","","","","","1.125","","","","has coordinates,has disorder","236168","2020-10-21","18:00:00",""
"4037453","13.8085","0.0004","19.1276","0.0003","14.6014","0.0004","90","","108.452","0.002","90","","3658.3","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 Cl2 N4 Ni S -","- C47 H32 Cl2 N4 Ni S -","- C188 H128 Cl8 N16 Ni4 S4 -","4","1","","Sharma, Meenakshi; Banerjee, Subhadeep; Zeller, Matthias; Brückner, Christian","Fusion and Desulfurization Reactions of Thiomorpholinochlorins.","The Journal of organic chemistry","2016","81","24","12350","12356","10.1021/acs.joc.6b02383","","","1.54178","CuKα","","0.041","0.0394","","","0.0974","0.0986","","","","","","1.048","","","","has coordinates","236170","2020-10-21","18:00:00",""
"4037454","6.2873","0.0005","11.0497","0.0005","13.8394","0.0008","90","","93.003","0.006","90","","960.14","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Br N2 O4 -","- C20 H15 Br N2 O4 -","- C40 H30 Br2 N4 O8 -","2","1","","Li, Jiangtao; Qiu, Shuai; Ye, Xinyi; Zhu, Bo; Liu, Hongjun; Jiang, Zhiyong","Dipeptide-Based Chiral Tertiary Amine-Catalyzed Asymmetric Conjugate Addition Reactions of 5H-Thiazol/Oxazol-4-Ones.","The Journal of organic chemistry","2016","81","23","11916","11923","10.1021/acs.joc.6b02384","","x-ray","0.71073","MoKα","","0.0899","0.054","","","0.1045","0.1213","","","","","","1.026","","","","has coordinates","236171","2020-10-21","18:00:00",""
"4037455","6.41183","0.00015","10.9322","0.0002","25.7034","0.0005","90","","90","","90","","1801.69","0.06","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C80 H64 N8 O12 S4 -","4","1","","Li, Jiangtao; Qiu, Shuai; Ye, Xinyi; Zhu, Bo; Liu, Hongjun; Jiang, Zhiyong","Dipeptide-Based Chiral Tertiary Amine-Catalyzed Asymmetric Conjugate Addition Reactions of 5H-Thiazol/Oxazol-4-Ones.","The Journal of organic chemistry","2016","81","23","11916","11923","10.1021/acs.joc.6b02384","","","1.54184","CuKα","","0.0472","0.041","","","0.0993","0.1046","","","","","","1.05","","","","has coordinates","236173","2020-10-21","18:00:00",""
"4037456","12.3982","0.0002","12.8328","0.0002","20.8001","0.0004","90","","90","","90","","3309.37","0.1","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","0.5","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.0825","0.047","","","0.107","0.1202","","","","","","1.036","","","","has coordinates","236175","2020-10-21","18:00:00",""
"4037457","7.715","0.0018","10.5292","0.0018","13.99","0.004","110.621","0.009","90.22","0.016","98.167","0.012","1051.1","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 B2 F8 N2 O10 -","- C42 H46 B2 F8 N2 O10 -","- C42 H46 B2 F8 N2 O10 -","1","0.5","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.1191","0.0757","","","0.1997","0.2354","","","","","","1.035","","","","has coordinates,has disorder","236177","2020-10-21","18:00:00",""
"4037458","11.5905","0.0001","13.9651","0.0002","20.7905","0.0003","90","","90","","90","","3365.2","0.07","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.0528","0.0394","","","0.091","0.0966","","","","","","1.043","","","","has coordinates","236179","2020-10-21","18:00:00",""
"4037459","24.1714","0.0006","15.5157","0.0004","12.1639","0.0003","90","","106.879","0.001","90","","4365.38","0.19","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 F3 N2 O2 -","- C26 H21 F3 N2 O2 -","- C208 H168 F24 N16 O16 -","8","1","","Torres, Gerardo M.; De La Higuera Macias, Maximiliano; Quesnel, Jeffrey S.; Williams, Oliver P.; Yempally, Veeranna; Bengali, Ashfaq A.; Arndtsen, Bruce A.","Palladium-Catalyzed, Multicomponent Approach to β-Lactams via Aryl Halide Carbonylation.","The Journal of organic chemistry","2016","81","24","12106","12115","10.1021/acs.joc.6b02405","","x-ray","1.34139","GaKα","","0.0536","0.0529","","","0.129","0.1298","","","","","","1.098","","","","has coordinates,has disorder","236181","2020-10-21","18:00:00",""
"4037460","19.1093","0.0013","5.5821","0.0002","11.6158","0.0004","90","","92.757","0.007","90","","1237.62","0.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","","Bailey, William F.; Lambert, Kyle M.; Stempel, Zachary D.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Controlling the Conformational Energy of a Phenyl Group by Tuning the Strength of a Nonclassical CH···O Hydrogen Bond: The Case of 5-Phenyl-1,3-dioxane.","The Journal of organic chemistry","2016","81","24","12116","12127","10.1021/acs.joc.6b02428","","","1.54178","CuKα","","0.035","0.0326","","","0.0879","0.0895","","","","","","1.094","","","","has coordinates","236183","2020-10-21","18:00:00",""
"4037461","11.2073","0.0008","11.4382","0.0008","20.9983","0.0015","90","","95.208","0.003","90","","2680.7","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 Cl O2 -","- C14 H19 Cl O2 -","- C112 H152 Cl8 O16 -","8","2","","Bailey, William F.; Lambert, Kyle M.; Stempel, Zachary D.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Controlling the Conformational Energy of a Phenyl Group by Tuning the Strength of a Nonclassical CH···O Hydrogen Bond: The Case of 5-Phenyl-1,3-dioxane.","The Journal of organic chemistry","2016","81","24","12116","12127","10.1021/acs.joc.6b02428","","","0.71073","MoKα","","0.0523","0.0374","","","0.0925","0.1026","","","","","","1.056","","","","has coordinates","236185","2020-10-21","18:00:00",""
"4037462","6.8354","0.0005","11.3494","0.001","12.139","0.0009","90","","104.352","0.002","90","","912.33","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C40 H36 N12 O4 -","4","1","","Castillo, Juan-Carlos; Estupiñan, Diego; Nogueras, Manuel; Cobo, Justo; Portilla, Jaime","6-(Aryldiazenyl)pyrazolo[1,5-a]pyrimidines as Strategic Intermediates for the Synthesis of Pyrazolo[5,1-b]purines.","The Journal of organic chemistry","2016","81","24","12364","12373","10.1021/acs.joc.6b02431","","","0.71073","MoKα","","0.0622","0.0548","","","0.1667","0.175","","","","","","1.048","","","","has coordinates","236187","2020-10-21","18:00:00",""
"4037463","12.8578","0.0005","13.6398","0.0006","9.0487","0.0004","90","","108.461","0.002","90","","1505.28","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F N2 O3 S -","- C16 H15 F N2 O3 S -","- C64 H60 F4 N8 O12 S4 -","4","1","","Maiden, Tracy M. M.; Swanson, Stephen; Procopiou, Panayiotis A.; Harrity, Joseph P. A.","Oxazoline-Promoted Rh-Catalyzed C-H Amidation of Benzene Derivatives with Sulfonamides and Trifluoroacetamide. A Comparative Study.","The Journal of organic chemistry","2016","81","22","10641","10650","10.1021/acs.joc.6b02481","","","0.71073","MoKα","","0.0439","0.0385","","","0.0975","0.1022","","","","","","1.027","","","","has coordinates","236190","2020-10-21","18:00:00",""
"4037464","8.3831","0.0008","8.4932","0.0009","11.0905","0.0011","72.025","0.002","81.176","0.002","67.159","0.002","691.69","0.12","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 F O2 -","- C17 H17 F O2 -","- C34 H34 F2 O4 -","2","1","","Cao, Ziping; Zhu, Hongbo; Meng, Xin; Tian, Laijin; Chen, Guang; Sun, Xuejun; You, Jinmao","Silver-Catalyzed Domino Reaction of ortho-Carbonylated Alkynyl-Substituted Arylaldehydes with Conjugated Dienes: Stereoselective Access to Indanone-Fused Cyclohexenes.","The Journal of organic chemistry","2016","81","24","12401","12407","10.1021/acs.joc.6b02529","","","0.71073","MoKα","","0.0525","0.0458","","","0.1223","0.1285","","","","","","1.045","","","","has coordinates","236192","2020-10-21","18:00:00",""
"4037465","10.1471","0.0004","10.2402","0.0004","18.237","0.0007","90","","90","","90","","1894.98","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","PH-5-110+98-A","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Haghshenas, Pouyan; Quail, J. Wilson; Gravel, Michel","Substrate-Controlled Diastereoselectivity Reversal in NHC-Catalyzed Cross-Benzoin Reactions Using N-Boc-N-Bn-Protected α-Amino Aldehydes.","The Journal of organic chemistry","2016","81","24","12075","12083","10.1021/acs.joc.6b02568","","","0.71073","MoKα","","0.0308","0.0291","","","0.0753","0.0765","","","","","","1.028","","","","has coordinates","236194","2020-10-21","18:00:00",""
"4037466","8.4519","0.0004","6.8822","0.0003","10.8607","0.0005","90","","112.056","0.002","90","","585.51","0.05","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H6 N O4 -","- C14 H6 N O4 -","- C28 H12 N2 O8 -","2","0.5","","Han, Sang Hoon; Kim, Saegun; De, Umasankar; Mishra, Neeraj Kumar; Park, Jihye; Sharma, Satyasheel; Kwak, Jong Hwan; Han, Sangil; Kim, Hyung Sik; Kim, In Su","Synthesis of Succinimide-Containing Chromones, Naphthoquinones, and Xanthones under Rh(III) Catalysis: Evaluation of Anticancer Activity.","The Journal of organic chemistry","2016","81","24","12416","12425","10.1021/acs.joc.6b02577","","","0.71073","MoKα","","0.1512","0.1113","","","0.3163","0.3601","","","","","","1.252","","","","has coordinates,has disorder","236196","2020-10-21","18:00:00",""