# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T17:37:53+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 = 80 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
"4030134","10.211","0.002","24.258","0.003","12.287","0.002","90","","115.848","0.003","90","","2739","0.8","143","1","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 Br -","- C35 H39 Br -","- C140 H156 Br4 -","4","1","","Mallory, Frank B.; Regan, Colleen K.; Bohen, Joseph M.; Mallory, Clelia W.; Bohen, Alyssa A.; Carroll, Patrick J.","Discovery of Deep-Seated Skeletal Rearrangements in the Photocyclizations of Some tert-Butyl-Substituted 1,2-Diarylethylenes.","The Journal of organic chemistry","2014","80","1","8","","10.1021/jo501965y","","","0.71069","MoKα","","0.055","0.0389","","0.0923","0.0868","","","","1.043","1.088","1.088","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4030286","16.9222","0.0014","10.4851","0.0008","23.796","0.002","90","","90","","90","","4222.1","0.6","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H22 Br N O3 -","- C24 H22 Br N O3 -","- C192 H176 Br8 N8 O24 -","8","2","","Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep","Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid.","The Journal of organic chemistry","2014","80","1","438","","10.1021/jo502443a","","","0.71073","MoKα","","0.0814","0.0549","","","0.1556","0.1861","","","","","","1.071","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030287","13.2694","0.0007","11.5931","0.0006","15.3462","0.0008","90","","108.069","0.003","90","","2244.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Br2 N O3 -","- C24 H23 Br2 N O3 -","- C96 H92 Br8 N4 O12 -","4","1","","Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep","Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid.","The Journal of organic chemistry","2014","80","1","438","","10.1021/jo502443a","","","0.71073","MoKα","","0.0765","0.049","","","0.1445","0.1757","","","","","","1.058","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030288","9.6427","0.001","19.228","0.002","9.9157","0.0011","90","","110.877","0.005","90","","1717.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Br2 N O -","- C19 H15 Br2 N O -","- C76 H60 Br8 N4 O4 -","4","1","","Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep","Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid.","The Journal of organic chemistry","2014","80","1","438","","10.1021/jo502443a","","","0.71073","MoKα","","0.0478","0.0337","","","0.0946","0.1155","","","","","","1.17","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030289","7.2241","0.0014","30.833","0.009","32.125","0.01","90","","90","","90","","7156","3","100.01","0.1","100.01","0.1","","","","","","","","3","I 2 2 2","I 2 2","23","","","","- C27 H44.5 O3 -","- C27 H44.5 O3 -","- C216 H356 O24 -","8","1","","Sokolowska, Katarzyna; Carballa, Diego; Seoane, Samuel; Pérez-Fernández, Román; Mouriño, Antonio; Sicinski, Rafal R.","Synthesis and Biological Activity of Two C-7 Methyl Analogues of Vitamin D.","The Journal of organic chemistry","2014","80","1","165","","10.1021/jo502243r","","","0.71073","MoKα","","0.2499","0.1058","","","0.2433","0.3113","","","","","","0.872","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030290","6.6262","0.0011","7.6055","0.0016","16.197","0.002","84.686","0.01","81.539","0.01","65.692","0.008","735.3","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C38 H32 O10 -","2","1","","Pasciak, Erick M.; Rittichier, Jonathan T.; Chen, Chun-Hsing; Mubarak, Mohammad S.; VanNieuwenhze, Michael S.; Peters, Dennis G.","Electroreductive Dimerization of Coumarin and Coumarin Analogues at Carbon Cathodes.","The Journal of organic chemistry","2014","80","1","274","","10.1021/jo502272g","","","0.71073","MoKα","","0.1294","0.0751","","0.2806","0.1992","0.2736","","","","","","0.9912","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030291","16.8112","0.0002","4.9796","0.0001","23.1742","0.0003","90","","105.11","0.0015","90","","1872.91","0.05","150","","150","","","","","","","","Research School of Chemistry","3","C 1 2 1","C 2y","5","","","","- C19 H26 O8 -","- C19 H26 O8 -","- C76 H104 O32 -","4","1","","Bolte, Benoit; Basutto, Jose A.; Bryan, Christopher S.; Garson, Mary J.; Banwell, Martin G.; Ward, Jas S.","Modular Total Syntheses of the Marine-Derived Resorcylic Acid Lactones Cochliomycins A and B Using a Late-Stage Nozaki-Hiyama-Kishi Macrocyclization Reaction.","The Journal of organic chemistry","2014","80","1","460","","10.1021/jo5024602","","","1.54184","CuKα","","0.0321","0.0307","","0.0771","0.0759","0.0771","","","","","","1.002","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030292","8.5036","0.0001","26.1166","0.0003","9.3544","0.0001","90","","94.3007","0.0009","90","","2071.62","0.04","150","","150","","","","","","","","Research School of Chemistry","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","2","","Bolte, Benoit; Basutto, Jose A.; Bryan, Christopher S.; Garson, Mary J.; Banwell, Martin G.; Ward, Jas S.","Modular Total Syntheses of the Marine-Derived Resorcylic Acid Lactones Cochliomycins A and B Using a Late-Stage Nozaki-Hiyama-Kishi Macrocyclization Reaction.","The Journal of organic chemistry","2014","80","1","460","","10.1021/jo5024602","","","1.54184","CuKα","","0.0345","0.0325","","0.0841","0.0828","0.0841","","","","","","1.0028","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030293","7.4322","0.0004","22.4492","0.0014","32.2193","0.0019","90","","90","","90","","5375.7","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 O5 -","- C31 H44 O5 -","- C248 H352 O40 -","8","2","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0513","0.0403","","","0.0913","0.0965","","","","","","1.056","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030294","7.0603","0.0009","16.009","0.002","23.988","0.003","90","","90","","90","","2711.3","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 O3 -","- C32 H48 O3 -","- C128 H192 O12 -","4","1","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.1009","0.055","","","0.1077","0.1284","","","","","","1.02","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030295","11.9733","0.0004","7.2755","0.0002","31.2394","0.001","90","","98.701","0.001","90","","2690","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H44 O4 -","- C31 H44 O4 -","- C124 H176 O16 -","4","2","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0341","0.0319","","","0.0854","0.0873","","","","","","1.043","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030296","7.1561","0.0004","15.9743","0.0008","22.9204","0.0011","90","","90","","90","","2620.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O3 -","- C31 H46 O3 -","- C124 H184 O12 -","4","1","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0376","0.0346","","","0.0872","0.0894","","","","","","1.053","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030297","28.65","0.011","4.9547","0.0018","22.409","0.008","90","","97.901","0.013","90","","3151","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H19 Br O4 -","- C16 H19 Br O4 -","- C128 H152 Br8 O32 -","8","2","","Risi, Roberto M.; Maza, Andrew M.; Burke, Steven D.","Asymmetric Hydroformylation-Initiated Tandem Sequences for Syntheses of (+)-Patulolide C, (-)-Pyrenophorol, (+)-Decarestrictine L, and (+)-Prelog Djerassi Lactone.","The Journal of organic chemistry","2014","80","1","204","","10.1021/jo502301k","","x-ray","0.71073","MoKα","K-L~3~","0.0379","0.0305","","","0.0595","0.0616","","","","","","1.021","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030298","11.8197","0.0018","13.799","0.002","14.935","0.002","82.224","0.003","80.254","0.003","78.604","0.003","2340.3","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N2 O5 S -","- C26 H26 N2 O5 S -","- C104 H104 N8 O20 S4 -","4","2","","Subba Reddy, B. V.; Medaboina, Durgaprasad; Sridhar, B.","Stereoselective Synthesis of Hexahydro-1H-spiro[isoquinoline-4,4'-pyran] Scaffolds through an Intramolecular Prins Cascade Process.","The Journal of organic chemistry","2014","80","1","653","","10.1021/jo5023926","","","0.71073","MoKα","","0.0978","0.0699","","","0.1815","0.2037","","","","","","1.023","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030299","8.9351","0.0003","10.5522","0.0003","14.2075","0.0004","91.2659","0.0009","104.146","0.0014","104.655","0.0014","1251.64","0.07","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","6-methyl-10-oxo-11,11-diphenyl-4,4a,10,11-tetrahydro- 9H-9-aza-11b-azoniabenzo[de]fluorene bromide","","- C29 H26 Br N3 O -","- C29 H26 Br N3 O -","- C58 H52 Br2 N6 O2 -","2","1","","Palkó, Roberta; Egyed, Orsolya; Rokob, Tibor András; Bombicz, Petra; Riedl, Zsuzsanna; Hajós, György","Transformation of Zwitterionic Pyridine Derivatives to a Spiro-Fused Ring System: Azoniabenzo[de]fluorine. Synthesis and Mechanistic Rationalization.","The Journal of organic chemistry","2014","80","1","174","","10.1021/jo5022663","","","0.71073","MoKα","","0.0384","0.0327","","","0.081","0.0839","","","","","","1.027","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030300","16.33","0.02","20.33","0.03","14.711","0.019","90","","99.3","0.02","90","","4820","11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1a in manuscript","","","- C48 H56 N2 Si2 -","- C51 H56 N2 Si2 -","- C204 H224 N8 Si8 -","4","1","","Biegger, Philipp; Stolz, Sebastian; Intorp, Sebastian N.; Zhang, Yexiang; Engelhart, Jens U.; Rominger, Frank; Hardcastle, Kenneth I.; Lemmer, Uli; Qian, Xuhong; Hamburger, Manuel; Bunz, U. H. F.","Soluble Diazaiptycenes: Materials for Solution-Processed Organic Electronics.","The Journal of organic chemistry","2014","80","1","582","","10.1021/jo502564w","","","0.71073","MoKα","","0.1998","0.1369","","","0.3663","0.4113","","","","","","1.415","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030301","7.5797","0.0017","17.349","0.003","26.474","0.004","103.24","0.015","98.052","0.015","93.741","0.015","3338.2","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 N2 Si2 -","- C34 H48 N2 Si2 -","- C136 H192 N8 Si8 -","4","2","","Biegger, Philipp; Stolz, Sebastian; Intorp, Sebastian N.; Zhang, Yexiang; Engelhart, Jens U.; Rominger, Frank; Hardcastle, Kenneth I.; Lemmer, Uli; Qian, Xuhong; Hamburger, Manuel; Bunz, U. H. F.","Soluble Diazaiptycenes: Materials for Solution-Processed Organic Electronics.","The Journal of organic chemistry","2014","80","1","582","","10.1021/jo502564w","","","1.54178","CuKα","","0.2515","0.093","","","0.162","0.2187","","","","","","1.008","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030302","22.9995","0.0008","5.0912","0.0002","12.9419","0.0005","90","","95.103","0.003","90","","1509.43","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Achar, Tapas Kumar; Mal, Prasenjit","Radical-Induced Metal and Solvent-Free Cross-Coupling Using TBAI-TBHP: Oxidative Amidation of Aldehydes and Alcohols with N-Chloramines via C-H Activation.","The Journal of organic chemistry","2014","80","1","666","","10.1021/jo502464n","","","0.71073","MoKα","","0.0576","0.0399","","","0.097","0.109","","","","","","1.016","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030303","5.7438","0.0003","18.2969","0.001","15.3844","0.0008","90","","90.528","0.004","90","","1616.74","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Achar, Tapas Kumar; Mal, Prasenjit","Radical-Induced Metal and Solvent-Free Cross-Coupling Using TBAI-TBHP: Oxidative Amidation of Aldehydes and Alcohols with N-Chloramines via C-H Activation.","The Journal of organic chemistry","2014","80","1","666","","10.1021/jo502464n","","","0.71073","MoKα","","0.0779","0.0438","","","0.0969","0.1122","","","","","","1.021","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030304","17.6618","0.0008","17.4368","0.0007","13.5068","0.0005","90","","96.873","0.002","90","","4129.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46.4 H47.2 Br2 Cl0.8 N6 O8.2 -","- C46.4029 H47.1938 Br2 Cl0.806 N6 O8.194 -","- C185.612 H188.775 Br8 Cl3.224 N24 O32.776 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0953","0.0585","","","0.0955","0.0967","","","","","","3.308","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030305","9.5308","0.0008","9.7901","0.0009","13.8253","0.0012","90","","100.914","0.002","90","","1266.67","0.19","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H30 N2 O7 S -","- C27 H30 N2 O7 S -","- C54 H60 N4 O14 S2 -","2","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0487","0.0412","","","0.0772","0.0785","","","","","","1.413","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030306","8.0482","0.0004","14.1277","0.0008","15.3665","0.0008","99.073","0.002","94.101","0.003","91.448","0.002","1719.75","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H45 Br N2 O6 Si -","- C34 H45 Br N2 O6 Si -","- C68 H90 Br2 N4 O12 Si2 -","2","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0754","0.0402","","","0.0805","0.0892","","","","","","1.117","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030307","17.6754","0.0007","11.5184","0.0005","22.3282","0.0009","90","","110.488","0.002","90","","4258.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H39 F3 N6 O11 S2 -","- C42 H39 F3 N6 O11 S2 -","- C168 H156 F12 N24 O44 S8 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0994","0.061","","","0.1142","0.122","","","","","","1.647","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030308","7.5798","0.0003","30.0522","0.0012","8.3663","0.0003","90","","103.61","0.0019","90","","1852.24","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C88 H80 N8 O20 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.07","0.0491","","","0.1139","0.1189","","","","","","1.633","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030309","8.932","0.0003","27.1836","0.001","9.0145","0.0003","90","","107.683","0.002","90","","2085.34","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Br N3 O4 -","- C23 H24 Br N3 O4 -","- C92 H96 Br4 N12 O16 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0694","0.047","","","0.0646","0.0654","","","","","","2.528","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030310","15.5078","0.0013","11.2221","0.001","18.4268","0.0016","90","","94.725","0.001","90","","3195.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 N3 O4 S2 -","- C37 H39 N3 O4 S2 -","- C148 H156 N12 O16 S8 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0982","0.0531","","","0.0888","0.0932","","","","","","1.394","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030311","9.1581","0.0002","12.6857","0.0003","16.703","0.0003","90","","90","","90","","1940.5","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O5 -","- C22 H19 Br N2 O5 -","- C88 H76 Br4 N8 O20 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0337","0.0252","","","0.0489","0.05","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030312","13.243","0.002","14.115","0.002","25.059","0.004","90","","90","","90","","4684.2","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N4 O5 S -","- C26 H22 N4 O5 S -","- C208 H176 N32 O40 S8 -","8","2","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.2168","0.1085","","","0.1814","0.2078","","","","","","1.294","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030313","10.9264","0.0005","12.1779","0.0006","14.2739","0.0007","73.033","0.001","67.662","0.001","67.376","0.001","1597.82","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H27 Cl F3 N7 O6 S -","- C33 H27 Cl F3 N7 O6 S -","- C66 H54 Cl2 F6 N14 O12 S2 -","2","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.069","0.0454","","","0.0773","0.0795","","","","","","1.637","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030314","7.5873","0.0009","8.0869","0.0012","10.0489","0.0009","102.73","0.01","96.588","0.009","117.756","0.013","515.07","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C24 H20 O8 -","2","1","","Zhang, Mingliang; Zhang, Hui-Jun; Han, Tiantian; Ruan, Wenqing; Wen, Ting-Bin","Rh(III)-Catalyzed Oxidative Coupling of Benzoic Acids with Geminal-Substituted Vinyl Acetates: Synthesis of 3-Substituted Isocoumarins.","The Journal of organic chemistry","2014","80","1","620","","10.1021/jo502231y","","","0.71073","MoKα","","0.0619","0.0517","","","0.14","0.147","","","","","","1.04","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030316","9.2564","0.0003","11.0884","0.0004","11.8407","0.0004","90","","93.789","0.0019","90","","1212.66","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-(((3aR,7aR)-1,3-diisopropyl-2-oxidohexahydro-1H-benzo[d][1,3,2] diazaphosphol-2(3H)-yl)amino)-1-morhpolino-2-phenylethanone","","- C24 H39 N4 O3 P -","- C24 H39 N4 O3 P -","- C48 H78 N8 O6 P2 -","2","1","","Seifert, Cole W.; Pindi, Suresh; Li, Guigen","Asymmetric Carbamoyl Anion Additions to Chiral N-Phosphonyl Imines via the GAP Chemistry Process and Stereoselectivity Enrichments.","The Journal of organic chemistry","2014","80","1","447","","10.1021/jo5024443","","","0.71073","MoKα","","0.0316","0.0296","","","0.0707","0.0718","","","","","","1.055","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030317","9.4842","0.0005","13.6912","0.0007","14.0603","0.0006","90","","90","","90","","1825.73","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C72 H72 N8 O16 S4 -","4","1","","Avila, Eloah P.; Justo, Rodrigo M. S.; Gonçalves, Vanessa P; Pereira, Adriane A.; Diniz, Renata; Amarante, Giovanni W.","Chiral Brønsted Acid-Catalyzed Stereoselective Mannich-Type Reaction of Azlactones with Aldimines.","The Journal of organic chemistry","2014","80","1","590","","10.1021/jo5024975","","","0.71073","MoKα","","0.0843","0.0458","","","0.0819","0.0955","","","","","","1.015","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030318","6.2791","0.0013","9.689","0.0019","17.74","0.004","79.89","0.03","87.19","0.03","81.26","0.03","1049.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","2","","Modak, Atanu; Rana, Sujoy; Maiti, Debabrata","Iron-Catalyzed Regioselective Direct Arylation at the C-3 Position of N-Alkyl-2-pyridone.","The Journal of organic chemistry","2014","80","1","296","","10.1021/jo502362k","","","0.71073","MoKα","","0.0618","0.0486","","","0.1552","0.187","","","","","","1.203","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030319","6.514","0.004","12.217","0.008","13.374","0.009","90","","92.8","0.011","90","","1063.1","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Modak, Atanu; Rana, Sujoy; Maiti, Debabrata","Iron-Catalyzed Regioselective Direct Arylation at the C-3 Position of N-Alkyl-2-pyridone.","The Journal of organic chemistry","2014","80","1","296","","10.1021/jo502362k","","","0.71075","MoKα","","0.0792","0.0625","","","0.1902","0.1997","","","","","","1.078","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030320","8.574","0.003","13.462","0.004","21.063","0.006","90","","99.394","0.003","90","","2398.6","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br4 O8 -","- C24 H16 Br4 O8 -","- C96 H64 Br16 O32 -","4","1","","Boukouvalas, John; Thibault, Charles","Step-Economical Synthesis of the Marine Ascidian Antibiotics Cadiolide A, B, and D.","The Journal of organic chemistry","2014","80","1","681","","10.1021/jo502503w","","","0.71073","MoKα","","0.0862","0.0466","","","0.1015","0.1194","","","","","","1.028","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030321","6.4713","0.0002","6.9416","0.0002","11.6404","0.0004","90","","101.765","0.002","90","","511.92","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound_1a","gene191","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C20 H26 N2 O4 S2 -","2","1","","Fauber, Benjamin P.; Clagg, Kyle; Gibbons, Paul; Rene, Olivier","An Experimental and Computational Study of the Diastereoselective Alkylations of 3-Substituted gamma-Sultams.","The Journal of organic chemistry","2014","80","1","685","","10.1021/jo502506j","","","1.54178","CuKα","","0.0297","0.0294","","","0.0777","0.078","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4030322","11.4904","0.0003","9.23","0.0002","11.485","0.0003","90","","106.486","0.0015","90","","1167.98","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-thiosaccharyl-1-methyltetrazole","1,2-benzisothiazole 1,1-dioxo 3-(5-thio-1-methyl) tetrazole","","- C9 H7 N5 O2 S2 -","- C9 H7 N5 O2 S2 -","- C36 H28 N20 O8 S8 -","4","1","","Ismael, A.; Borba, A.; Henriques, M. S. C.; Paixão, J A; Fausto, R.; Cristiano, M. L. S.","Structure and Photochemistry of a Saccharyl Thiotetrazole.","The Journal of organic chemistry","2014","80","1","392","","10.1021/jo502419u","","","0.71073","MoKα","","0.0598","0.0372","","","0.0914","0.103","","","","","","1.022","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030323","6.9301","0.0005","15.6506","0.0012","22.801","0.0018","90","","90","","90","","2473","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C76 H100 N12 O16 -","4","1","","Crouillebois, Laurence; Pantaine, Loïc; Marrot, Jérôme; Coeffard, Vincent; Moreau, Xavier; Greck, Christine","Solvent- and Catalyst-Free Synthesis of Nitrogen-Containing Bicycles through Hemiaminal Formation/Diastereoselective Hetero-Diels-Alder Reaction with Diazenes.","The Journal of organic chemistry","2014","80","1","595","","10.1021/jo502087a","","","0.71073","MoKα","","0.1195","0.0872","","","0.2445","0.2656","","","","","","1.082","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030324","12.5026","0.0004","13.2431","0.0003","12.5514","0.0004","90","","99.25","0.003","90","","2051.15","0.11","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S.","Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds.","The Journal of organic chemistry","2014","80","1","18","","10.1021/jo501051n","","","0.71073","MoKα","","0.054","0.0401","","","0.0864","0.0939","","","","","","1.057","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030325","15.8984","0.0004","12.9658","0.0003","19.5357","0.0005","90","","90","","90","","4027","0.17","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 2-(2,3-diphenyl-1H-indol-1-yl)malonate","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","1","","Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S.","Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds.","The Journal of organic chemistry","2014","80","1","18","","10.1021/jo501051n","","","0.71073","MoKα","","0.0766","0.0414","","","0.0883","0.1109","","","","","","1.06","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030326","8.637","0.003","10.927","0.004","26.065","0.01","90","","90","","90","","2459.9","1.6","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 N O2 P -","- C25 H42 N O2 P -","- C100 H168 N4 O8 P4 -","4","1","","Zhao, Yalei; Chen, Xiuling; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao","Catalyst-Free and Selective C-N Bond Functionalization: Stereospecific Three-Component Coupling of Amines, Dichloromethane, and >P(O)H Species Affording α-Aminophosphorus Compounds.","The Journal of organic chemistry","2014","80","1","62","","10.1021/jo501961h","","","0.71073","MoKα","","0.03","0.0285","","","0.076","0.0771","","","","","","1.035","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030327","13.407","0.001","15.6938","0.001","8.8651","0.0005","90","","90","","90","","1865.3","0.2","180","0.1","180","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion.","The Journal of organic chemistry","2014","80","1","223","","10.1021/jo5023102","","","0.7107","MoKα","","0.0559","0.042","","","0.0849","0.092","","","","","","1.06","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030328","17.6047","0.0009","17.8743","0.001","9.7826","0.0005","90","","100.979","0.005","90","","3022","0.3","180","0.1","180","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C112 H144 N16 O40 -","8","2","","Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion.","The Journal of organic chemistry","2014","80","1","223","","10.1021/jo5023102","","","0.7107","MoKα","","0.0862","0.0524","","","0.1106","0.1277","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030329","17.4149","0.0012","9.7931","0.0004","20.91","0.0011","90","","113","0.007","90","","3282.6","0.4","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C128 H168 N8 O40 -","8","2","","Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion.","The Journal of organic chemistry","2014","80","1","223","","10.1021/jo5023102","","","0.7107","MoKα","","0.0862","0.051","","","0.1089","0.1265","","","","","","1.029","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030330","20.8235","0.0004","7.2405","0.0001","24.6478","0.0004","90","","90","","90","","3716.21","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C168 H160 Cl8 N8 O24 -","8","1","","Wang, Long; Ren, Zhi-Lin; Ding, Ming-Wu","Synthesis of 2,3-Dihydro-1H-2-benzazepin-1-ones and 3H-2-Benzoxepin-1-ones by Isocyanide-Based Multicomponent Reaction/Wittig Sequence Starting from Phosphonium Salt Precursors.","The Journal of organic chemistry","2014","80","1","641","","10.1021/jo502275f","","","1.54178","CuKα","","0.0359","0.0341","","","0.0897","0.0913","","","","","","1.119","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030331","12.90894","0.00019","15.8188","0.0002","12.3797","0.0002","90","","110.438","0.0018","90","","2368.85","0.07","100","2","99.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diisopropyl (1-((4-methylphenyl)sulfonamido)-2-nitro-1-phenylethyl)phosphonate","","- C21 H29 N2 O7 P S -","- C21 H29 N2 O7 P S -","- C84 H116 N8 O28 P4 S4 -","4","1","","Vicario, Javier; Ortiz, Pablo; Ezpeleta, José M; Palacios, Francisco","Asymmetric Synthesis of Functionalized Tetrasubstituted α-Aminophosphonates through Enantioselective Aza-Henry Reaction of Phosphorylated Ketimines.","The Journal of organic chemistry","2014","80","1","156","","10.1021/jo502233m","","","1.5418","CuKα","","0.0429","0.0383","","","0.134","0.1397","","","","","","1.186","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030332","9.0361","0.0018","9.7342","0.0019","10.511","0.002","83.842","0.004","69.579","0.004","68.224","0.004","804.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C40 H30 N6 O2 -","2","1","","Yang, Weiguang; Qiao, Rui; Chen, Jiuxi; Huang, Xiaobo; Liu, Miaochang; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Palladium-Catalyzed Cascade Reaction of 2-Amino-N'-arylbenzohydrazides with Triethyl Orthobenzoates To Construct Indazolo[3,2-b]quinazolinones.","The Journal of organic chemistry","2014","80","1","482","","10.1021/jo5024848","","","0.71073","MoKα","","0.0722","0.049","","","0.1564","0.1906","","","","","","1.094","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030333","10.534","0.002","18.887","0.004","8.1159","0.0019","90","","108.767","0.003","90","","1528.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N3 O -","- C20 H14 N3 O -","- C80 H56 N12 O4 -","4","1","","Yang, Weiguang; Qiao, Rui; Chen, Jiuxi; Huang, Xiaobo; Liu, Miaochang; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Palladium-Catalyzed Cascade Reaction of 2-Amino-N'-arylbenzohydrazides with Triethyl Orthobenzoates To Construct Indazolo[3,2-b]quinazolinones.","The Journal of organic chemistry","2014","80","1","482","","10.1021/jo5024848","","","0.71073","MoKα","","0.0738","0.0473","","","0.1291","0.1485","","","","","","1.061","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030334","8.5949","0.0004","12.6279","0.0006","17.9523","0.001","90","","95.417","0.005","90","","1939.76","0.17","291","2","291","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Zuo, Jian; Wu, Zhi-Jun; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Preparation of 3-Sulfonylated 3,3-Disubstituted Oxindoles by the Addition of Sulfinate Salts to 3-Halooxindoles.","The Journal of organic chemistry","2014","80","1","634","","10.1021/jo502270a","","","1.54184","CuKα","","0.0742","0.0626","","","0.1683","0.181","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030335","25.5426","0.0004","25.5426","0.0004","4.6785","0.0001","90","","90","","90","","3052.37","0.09","291","2","291","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","","Li, Dan-Dan; Li, Zhong-Yuan; Wang, Guan-Wu","Catalyst-Free Approach to Construct C-C Bond Initiated by N-O Bond Cleavage under Thermal Conditions.","The Journal of organic chemistry","2014","80","1","190","","10.1021/jo502287y","","","1.54184","CuKα","","0.065","0.0515","","","0.14","0.1534","","","","","","1.04","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030336","15.7682","0.0003","15.6424","0.0003","16.4914","0.0004","90","","119.547","0.0007","90","","3538.66","0.13","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 Cl3 N6 O4 Pd2 -","- C37 H27 Cl3 N6 O4 Pd2 -","- C148 H108 Cl12 N24 O16 Pd8 -","4","1","","Qiu, Renhua; Reddy, Vutukuri Prakash; Iwasaki, Takanori; Kambe, Nobuaki","The Palladium-Catalyzed Intermolecular C-H Chalcogenation of Arenes.","The Journal of organic chemistry","2014","80","1","367","","10.1021/jo502402d","","","0.71075","MoKα","","","0.0286","","","","0.0706","","","","","","1.055","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030365","7.4398","0.0009","16.709","0.002","18.329","0.002","90","","90","","90","","2278.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O4 -","- C25 H30 N2 O4 -","- C100 H120 N8 O16 -","4","1","","Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis","Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones.","The Journal of organic chemistry","2015","80","2","762","769","10.1021/jo502140d","","","0.71073","MoKα","","0.0482","0.0412","","","0.1033","0.1076","","","","","","1.044","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030366","7.9977","0.0016","9.4736","0.0018","15.462","0.003","90","","101.002","0.004","90","","1150","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 N2 O4 -","- C23 H34 N2 O4 -","- C46 H68 N4 O8 -","2","1","","Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis","Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones.","The Journal of organic chemistry","2015","80","2","762","769","10.1021/jo502140d","","","0.71073","MoKα","","0.0535","0.0461","","","0.1195","0.1253","","","","","","1.04","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030367","25.595","0.006","9.572","0.002","25.369","0.006","90","","97.71","0.004","90","","6159","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 N6 O -","- C44 H26 N6 O -","- C352 H208 N48 O8 -","8","2","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","0.71073","MoKα","","0.1525","0.0688","","","0.1327","0.156","","","","","","1.017","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030368","30.029","0.018","14.388","0.009","32.622","0.019","90","","111.519","0.009","90","","13112","14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C89.674 H53.935 Cl0.413 N10 Ni2 O4 -","- C89.674 H53.935 Cl0.413 N10 Ni2 O4 -","- C717.392 H431.48 Cl3.304 N80 Ni16 O32 -","8","1","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","0.71073","MoKα","","0.1822","0.0652","","","0.1148","0.1445","","","","","","0.95","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030369","15.424","0.002","15.424","0.002","13.692","0.004","90","","90","","90","","3257.3","1.1","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H27 N5 Ni O2 -","- C44 H27 N5 Ni O2 -","- C176 H108 N20 Ni4 O8 -","4","0.25","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","0.71073","MoKα","","0.1318","0.0504","","","0.1189","0.1478","","","","","","1.012","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030370","14.6776","0.0005","7.0794","0.0002","32.3824","0.0011","90","","91.906","0.0013","90","","3362.95","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.13 H28.86 Cl0.68 N6 Pd -","- C46.129 H28.855 Cl0.676 N6 Pd -","- C184.516 H115.42 Cl2.704 N24 Pd4 -","4","1","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","1.54178","CuKα","","0.0355","0.0333","","","0.0786","0.0799","","","","","","1.105","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030371","8.0113","0.0003","34.7315","0.0011","8.13","0.0003","90","","114.014","0.002","90","","2066.33","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 O6 -","- C24 H16 N2 O6 -","- C96 H64 N8 O24 -","4","1","","Xia, Xiao-Feng; Gu, Zhen; Liu, Wentao; Wang, Haijun; Xia, Yongmei; Gao, Haiyan; Liu, Xiang; Liang, Yong-Min","Metal-Free Three-Component Oxyazidation of Alkenes with Trimethylsilyl Azide and N-Hydroxyphthalimide.","The Journal of organic chemistry","2014","80","1","290","","10.1021/jo502327r","","","0.71073","MoKα","","0.061","0.044","","","0.1191","0.1369","","","","","","1.124","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030372","8.4068","0.0005","11.7148","0.0006","24.5654","0.0014","90","","90","","90","","2419.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N0 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","1","","Shen, Mengmeng; Tu, Yawei; Xie, Guanqun; Niu, Qingsheng; Mao, Hui; Xie, Tingting; Flowers, 2nd, Robert A; Lv, Xin; Wang, Xiaoxia","Allylsamarium Bromide-Mediated Cascade Cyclization of Homoallylic Esters. Synthesis of 2-(2-Hydroxyalkyl)cyclopropanols and 2-(2-Hydroxyethyl)bicyclo[2.1.1]hexan-1-ols.","The Journal of organic chemistry","2014","80","1","52","","10.1021/jo501797w","","","0.71073","MoKα","","","0.0449","","","0.1327","0.1577","","","","","","0.815","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030373","10.7708","0.0019","16.326","0.003","7.5417","0.0013","90","","107.601","0.003","90","","1264.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Zhu, Yuequan; Gong, Yuefa","Construction of 2-Pyrone Skeleton via Domino Sequence between 2-Acyl-1-Chlorocyclopropanecarboxylate and Amines.","The Journal of organic chemistry","2014","80","1","490","","10.1021/jo502502z","","","0.71073","MoKα","","0.047","0.0399","","","0.1119","0.1196","","","","","","1.045","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030374","11.9905","0.0002","8.82516","0.00014","34.0165","0.0006","90","","90","","90","","3599.56","0.1","291","2","291.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H16 O3 -","- C23 H16 O3 -","- C184 H128 O24 -","8","1","","Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Wu, Yusheng; Wu, Yangjie","Preparation of 3-Acyl-4-arylcoumarins via Metal-Free Tandem Oxidative Acylation/Cyclization between Alkynoates with Aldehydes.","The Journal of organic chemistry","2014","80","1","148","","10.1021/jo502220b","","","1.54184","CuKα","","0.0614","0.0524","","","0.1514","0.1597","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030375","6.2999","0.0011","7.7215","0.0012","14.823","0.002","90","","95.614","0.013","90","","717.6","0.19","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 N2 O -","- C14 H24 N2 O -","- C28 H48 N4 O2 -","2","1","","Feder-Kubis, Joanna; Szefczyk, Borys; Kubicki, Maciej","Symmetrical Imidazolium Chloride Based on (-)-Menthol: Synthesis, Characterization, and Theoretical Model of the Reaction.","The Journal of organic chemistry","2014","80","1","237","","10.1021/jo502317m","","","0.71073","MoKα","","0.0521","0.0474","","","0.1187","0.1226","","","","","","1.101","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030376","7.9","0.003","11.409","0.004","11.512","0.004","63.212","0.005","86.744","0.006","79.229","0.006","909.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Cl N2 O2 S3 -","- C16 H15 Cl N2 O2 S3 -","- C32 H30 Cl2 N4 O4 S6 -","2","1","","Fuertes, Pedro; García-Valverde, María; Pascual, Ricardo; Rodríguez, Teresa; Rojo, Josefa; García-Calvo, José; Calvo, Patricia; Cuevas, José V; García-Herbosa, Gabriel; Torroba, Tomás","Structural Conformers of (1,3-Dithiol-2-ylidene)ethanethioamides: The Balance between Thioamide Rotation and Preservation of Classical Sulfur-Sulfur Hypervalent Bonds.","The Journal of organic chemistry","2014","80","1","30","","10.1021/jo501473z","","","0.71073","MoKα","","0.0424","0.0372","","","0.1082","0.1108","","","","","","1.082","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030377","16.942","0.002","14.3803","0.0018","37.907","0.005","90","","101.603","0.003","90","","9047","2","566","2","566","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O6 S3 -","- C28 H33 N3 O6 S3 -","- C336 H396 N36 O72 S36 -","12","3","","Fuertes, Pedro; García-Valverde, María; Pascual, Ricardo; Rodríguez, Teresa; Rojo, Josefa; García-Calvo, José; Calvo, Patricia; Cuevas, José V; García-Herbosa, Gabriel; Torroba, Tomás","Structural Conformers of (1,3-Dithiol-2-ylidene)ethanethioamides: The Balance between Thioamide Rotation and Preservation of Classical Sulfur-Sulfur Hypervalent Bonds.","The Journal of organic chemistry","2014","80","1","30","","10.1021/jo501473z","","","0.71073","MoKα","","0.1545","0.0708","","","0.1894","0.2262","","","","","","0.922","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030378","17.173","0.002","12.1653","0.0013","22.267","0.002","90","","110.548","0.005","90","","4355.9","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H54.91 B4 O8 -","- C41 H54.9098 B4 O8 -","- C164 H219.639 B16 O32 -","4","1","","Ji, Lei; Fucke, Katharina; Bose, Shubhankar Kumar; Marder, Todd B.","Iridium-Catalyzed Borylation of Pyrene: Irreversibility and the Influence of Ligand on Selectivity.","The Journal of organic chemistry","2014","80","1","661","","10.1021/jo5024014","","x-ray","0.71073","MoKα","K-L~3~","0.2645","0.1138","","","","0.4176","","","","","","1.1357","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030379","11.952","0.003","11.32","0.003","15.039","0.003","90","","106.308","0.007","90","","1952.9","0.8","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 B4 O8 -","- C40 H54 B4 O8 -","- C80 H108 B8 O16 -","2","0.5","","Ji, Lei; Fucke, Katharina; Bose, Shubhankar Kumar; Marder, Todd B.","Iridium-Catalyzed Borylation of Pyrene: Irreversibility and the Influence of Ligand on Selectivity.","The Journal of organic chemistry","2014","80","1","661","","10.1021/jo5024014","","x-ray","0.71073","MoKα","K-L~3~","0.1214","0.0768","","","","0.2476","","","","","","1.0485","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030380","7.1439","0.0008","13.6155","0.0016","11.9858","0.0014","90","","105.574","0.002","90","","1123","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 I N5 -","- C9 H12 I N5 -","- C36 H48 I4 N20 -","4","1","","Chernyshev, Victor M.; Vlasova, Anna G.; Astakhov, Alexander V.; Shishkina, Svitlana V.; Shishkin, Oleg V.","Reactivity of C-Amino-1,2,4-triazoles toward Electrophiles: A Combined Computational and Experimental Study of Alkylation by Halogen Alkanes.","The Journal of organic chemistry","2014","80","1","375","","10.1021/jo502405q","","","0.71073","MoKα","","0.0247","0.024","","","0.0604","0.061","","","","","","1.002","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030381","10.8441","0.0005","15.1145","0.0006","18.7318","0.0008","90","","94.449","0.001","90","","3060.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N5 -","- C15 H16 Br N5 -","- C120 H128 Br8 N40 -","8","2","","Chernyshev, Victor M.; Vlasova, Anna G.; Astakhov, Alexander V.; Shishkina, Svitlana V.; Shishkin, Oleg V.","Reactivity of C-Amino-1,2,4-triazoles toward Electrophiles: A Combined Computational and Experimental Study of Alkylation by Halogen Alkanes.","The Journal of organic chemistry","2014","80","1","375","","10.1021/jo502405q","","","0.71073","MoKα","","0.0441","0.0305","","","0.0686","0.0739","","","","","","1.018","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030382","11.1","0.003","12.008","0.003","16.129","0.004","97.232","0.006","104.7","0.005","116.149","0.005","1795.3","0.8","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C47.25 H44 N4 -","- C42 H38 N4 -","- C84 H76 N8 -","2","1","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.1301","0.0641","","","0.1286","0.1446","","","","","","0.88","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030383","9.5372","0.0009","13.6718","0.0012","13.9866","0.0014","90","","90","","90","","1823.7","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.0556","0.041","","","0.0903","0.0981","","","","","","1.021","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030384","9.2664","0.0009","14.6024","0.0014","20.5848","0.0019","100.749","0.002","101.079","0.002","90.815","0.002","2681.9","0.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H28 N2 -","- C37 H28 N2 -","- C148 H112 N8 -","4","2","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.1498","0.0588","","","0.1037","0.1355","","","","","","0.945","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030385","13.045","0.003","8.467","0.002","16.568","0.004","90","","100.535","0.005","90","","1799.1","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C92 H96 N8 -","4","1","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.0515","0.0449","","","0.1007","0.1057","","","","","","1.003","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030386","13.628","0.0008","13.8452","0.0007","12.256","0.0007","90","","113.57","0.0019","90","","2119.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Br Cl2 O3 -","- C24 H19 Br Cl2 O3 -","- C96 H76 Br4 Cl8 O12 -","4","1","","Zhao, Yi; Wong, Ying-Chieh; Yeung, Ying-Yeung","An Unexpected 2,3-Dihydrofuran Derivative Ring Opening Initiated by Electrophilic Bromination: Scope and Mechanistic Study.","The Journal of organic chemistry","2014","80","1","453","","10.1021/jo502453f","","","0.71073","MoKα","","0.0318","0.025","","","0.0564","0.0588","","","","","","1.031","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030387","7.3188","0.0007","21.396","0.002","22.175","0.002","90","","90","","90","","3472.5","0.6","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H35 Br N2 O7 -","- C41 H35 Br N2 O7 -","- C164 H140 Br4 N8 O28 -","4","1","","Wang, Cong-Shuai; Zhu, Ren-Yi; Zheng, Jian; Shi, Feng; Tu, Shu-Jiang","Enantioselective Construction of Spiro[indoline-3,2'-pyrrole] Framework via Catalytic Asymmetric 1,3-Dipolar Cycloadditions Using Allenes as Equivalents of Alkynes.","The Journal of organic chemistry","2014","80","1","512","","10.1021/jo502516e","","","0.71073","MoKα","","0.17","0.062","","","0.1046","0.1354","","","","","","0.967","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030388","5.7652","0.0015","14.062","0.004","20.949","0.005","90","","90","","90","","1698.3","0.8","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl(<i>R</i>,<i>E</i>)-4-(4-bromophenyl)-2-hydroxy-2-(2-oxo-2-phenyethyl) but-3-enoate","","- C19 H17 Br O4 -","- C19 H17 Br O4 -","- C76 H68 Br4 O16 -","4","1","","Konda, Swapna; Guo, Qun-Sheng; Abe, Manabu; Huang, Huicai; Arman, Hadi; Zhao, John C.-G.","Organocatalyzed Asymmetric Aldol Reactions of Ketones and β,γ-Unsaturated α-Ketoesters and Phenylglyoxal Hydrates.","The Journal of organic chemistry","2015","80","2","806","815","10.1021/jo502254e","","","0.71073","MoKα","","0.0627","0.0566","","","0.1283","0.1328","","","","","","1.003","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030389","7.422","0.002","10.122","0.003","16.852","0.005","90","","90","","90","","1266","0.6","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2[(S)-2-(4-bromophneyl)-1-hydroxy-2-oxoethyl]cyclohexanone","","- C14 H15 Br O3 -","- C14 H15 Br O3 -","- C56 H60 Br4 O12 -","4","1","","Konda, Swapna; Guo, Qun-Sheng; Abe, Manabu; Huang, Huicai; Arman, Hadi; Zhao, John C.-G.","Organocatalyzed Asymmetric Aldol Reactions of Ketones and β,γ-Unsaturated α-Ketoesters and Phenylglyoxal Hydrates.","The Journal of organic chemistry","2015","80","2","806","815","10.1021/jo502254e","","","0.71073","MoKα","","0.0594","0.0568","","","0.1337","0.1356","","","","","","0.998","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030390","28.5414","0.0012","6.3924","0.0003","31.3881","0.0014","90","","109.225","0.002","90","","5407.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 I3 N3 -","- C28 H24 I3 N3 -","- C224 H192 I24 N24 -","8","1","","Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François","Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.","The Journal of organic chemistry","2015","80","2","882","896","10.1021/jo502367h","","","0.71073","MoKα","","0.0748","0.0428","","","0.1111","0.1352","","","","","","0.843","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030391","7.8579","0.0012","10.9549","0.0015","19.72","0.003","75.763","0.005","80.428","0.005","80.484","0.005","1608.7","0.4","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Cl3 Fe2 Si -","- C36 H31 Cl3 Fe2 Si -","- C72 H62 Cl6 Fe4 Si2 -","2","1","","Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François","Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.","The Journal of organic chemistry","2015","80","2","882","896","10.1021/jo502367h","","x-ray","0.71073","MoKα","","0.1343","0.0823","","","0.2143","0.2491","","","","","","1.043","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030392","7.1349","0.0004","11.2698","0.0005","16.4853","0.0008","79.288","0.002","87.269","0.003","79.285","0.002","1279.64","0.11","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br3 N3 -","- C28 H24 Br3 N3 -","- C56 H48 Br6 N6 -","2","1","","Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François","Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.","The Journal of organic chemistry","2015","80","2","882","896","10.1021/jo502367h","","x-ray","0.71073","MoKα","","0.0709","0.0502","","","0.1164","0.127","","","","","","1.025","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030393","11.8271","0.0004","12.1644","0.0004","20.9525","0.0006","90","","92.288","0.003","90","","3012.02","0.17","446","2","446","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,2,3,4-tetrahydro-1,10-phenanthroline-2,4-diyl)bis(diphenylphosphine oxide)","","- C36 H30 N2 O2 P2 -","- C36 H30 N2 O2 P2 -","- C144 H120 N8 O8 P8 -","4","1","","Gao, Yuxing; Deng, Honggui; Zhang, Shanshan; Xue, Wanhua; Wu, Yile; Qiao, Hongwei; Xu, Pengxiang; Zhao, Yufen","Nickel-catalyzed one-pot tandem 1,4-1,2-addition of p(o)h compounds to 1,10-phenanthrolines.","The Journal of organic chemistry","2015","80","2","1192","1199","10.1021/jo501842p","","","0.71073","MoKα","","0.0752","0.0537","","","0.1034","0.111","","","","","","1.094","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030394","22.496","0.005","10.716","0.002","11.564","0.002","90","","99.96","0.03","90","","2745.7","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N6 O2 -","- C24 H18 N6 O2 -","- C96 H72 N24 O8 -","4","0.5","","Niu, Pengfei; Kang, Jinfeng; Tian, Xianhai; Song, Lina; Liu, Hongxu; Wu, Jie; Yu, Wenquan; Chang, Junbiao","Synthesis of 2-Amino-1,3,4-oxadiazoles and 2-Amino-1,3,4-thiadiazoles via Sequential Condensation and I2-Mediated Oxidative C-O/C-S Bond Formation.","The Journal of organic chemistry","2014","80","2","1018","","10.1021/jo502518c","","","0.71073","MoKα","","0.1768","0.1681","","","0.4836","0.49","","","","","","2.01","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030395","16.357","0.0004","7.6543","0.0001","19.7358","0.0005","90","","113.449","0.003","90","","2266.89","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C112 H96 O20 -","4","1","","Rivero, Alexandra R.; Fernández, Israel; Ramírez de Arellano, Carmen; Sierra, Miguel A.","Synthesis of Oxaspiranic Compounds through [3 + 2] Annulation of Cyclopropenones and Donor-Acceptor Cyclopropanes.","The Journal of organic chemistry","2014","80","2","1207","","10.1021/jo502292y","","","0.71073","MoKα","","0.0678","0.0491","","","0.1169","0.1298","","","","","","1.03","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030396","24.1196","0.0012","4.5707","0.0002","25.3434","0.0012","90","","116.037","0.006","90","","2510.4","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F3 O3 -","- C15 H9 F3 O3 -","- C120 H72 F24 O24 -","8","2","","Dai, Jian-Jun; Xu, Wen-Tao; Wu, Ya-Dong; Zhang, Wen-Man; Gong, Ying; He, Xia-Ping; Zhang, Xin-Qing; Xu, Hua-Jian","Silver-Catalyzed C(sp(2))-H Functionalization/C-O Cyclization Reaction at Room Temperature.","The Journal of organic chemistry","2015","80","2","911","919","10.1021/jo5024238","","","1.54184","CuKα","","0.0907","0.0621","","","0.1622","0.1832","","","","","","1.086","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030397","8.799","0.002","9.982","0.003","10.691","0.003","82.958","0.003","78.274","0.003","87.522","0.004","912.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C44 H34 N2 O6 S2 -","2","1","","Xu, Yinfeng; Liu, Ping; Li, Shun-Li; Sun, Peipei","Palladium-Catalyzed ortho-Sulfonylation of 2-Aryloxypyridines and Subsequent Formation of ortho-Sulfonylated Phenols.","The Journal of organic chemistry","2015","80","2","1269","1274","10.1021/jo5026095","","","0.71069","MoKα","","0.0709","0.0496","","","0.1425","0.1601","","","","","","1.08","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030398","16.205","0.003","7.345","0.002","14.907","0.002","90","","107.902","0.003","90","","1688.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O3 S -","- C18 H14 Br N O3 S -","- C72 H56 Br4 N4 O12 S4 -","4","1","","Xu, Yinfeng; Liu, Ping; Li, Shun-Li; Sun, Peipei","Palladium-Catalyzed ortho-Sulfonylation of 2-Aryloxypyridines and Subsequent Formation of ortho-Sulfonylated Phenols.","The Journal of organic chemistry","2015","80","2","1269","1274","10.1021/jo5026095","","","0.71069","MoKα","","0.0918","0.046","","","0.1184","0.1424","","","","","","1.012","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030399","6.205","0.0014","8.1355","0.0018","35.791","0.008","90","","90","","90","","1806.8","0.7","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Br N2 O3 -","- C16 H27 Br N2 O3 -","- C64 H108 Br4 N8 O12 -","4","1","","Zheng, Xiao; Liu, Juan; Ye, Chen-Xi; Wang, Ao; Wang, Ai-E; Huang, Pei-Qiang","SmI2-Mediated Radical Coupling Strategy to Securinega Alkaloids: Total Synthesis of (-)-14,15-Dihydrosecurinine and Formal Total Synthesis of (-)-Securinine.","The Journal of organic chemistry","2015","80","2","1034","1041","10.1021/jo502522x","","","0.71073","MoKα","","0.053","0.0388","","","0.0894","0.0945","","","","","","0.9612","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4030400","7.2974","0.0014","8.3147","0.0015","9.969","0.0019","75.788","0.003","83.489","0.003","89.109","0.004","582.53","0.19","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","1","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.132","0.0816","","","0.1779","0.1987","","","","","","1.132","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030401","6.231","0.003","10.287","0.005","12.24","0.006","88.818","0.009","79.149","0.01","89.56","0.009","770.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N2 O -","- C16 H25 N2 O -","- C32 H50 N4 O2 -","2","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.1272","0.0849","","","0.2508","0.2776","","","","","","1.107","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030402","14.465","0.002","11.3032","0.0018","15.418","0.003","90","","111.881","0.003","90","","2339.3","0.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C96 H128 N8 O24 -","4","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.0903","0.0534","","","0.1002","0.1135","","","","","","0.991","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030403","26.445","0.002","8.1967","0.0006","11.1501","0.0009","90","","109.17","0.001","90","","2282.9","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C96 H168 N8 O16 -","8","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.0556","0.0497","","","0.1402","0.1465","","","","","","1.039","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030404","12.199","0.003","30.881","0.008","11.905","0.003","90","","95.153","0.004","90","","4467","2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 O8 -","- C50 H62 O8 -","- C200 H248 O32 -","4","1","","Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro","1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes.","The Journal of organic chemistry","2014","80","2","1070","","10.1021/jo502563z","","","0.71073","MoKα","","0.1343","0.0764","","","0.1806","0.2231","","","","","","1.051","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030405","12.793","0.0015","12.793","0.0015","13.13","0.0015","90","","90","","90","","2148.9","0.4","173","2","173","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C50 H64 O6 -","- C50.08 H52 O6.04 -","- C100.16 H104 O12.08 -","2","0.25","","Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro","1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes.","The Journal of organic chemistry","2014","80","2","1070","","10.1021/jo502563z","","","0.71073","MoKα","","0.0998","0.0891","","","0.2362","0.2463","","","","","","1.053","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030406","19.5977","0.0017","22.0686","0.0017","12.5591","0.001","90","","126.494","0.001","90","","4366.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H57 Cl3 I2 O2 -","- C45.5 H54 Cl3 I2 O2 -","- C182 H216 Cl12 I8 O8 -","4","0.5","","Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro","1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes.","The Journal of organic chemistry","2014","80","2","1070","","10.1021/jo502563z","","","0.71073","MoKα","","0.0289","0.025","","","0.0623","0.0649","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030407","9.5062","0.0003","19.6014","0.0006","12.7805","0.0005","90","","103.203","0.004","90","","2318.5","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br P Pd -","- C28 H28 Br P Pd -","- C112 H112 Br4 P4 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0434","0.0282","","","0.0534","0.0551","","","","","","0.886","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030408","10.0947","0.0006","10.738","0.0005","12.1614","0.0005","102.574","0.004","108.942","0.005","98.328","0.004","1183.34","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 I P Pd -","- C28 H28 I P Pd -","- C56 H56 I2 P2 Pd2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0433","0.0277","","","0.053","0.0558","","","","","","0.933","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030409","10.13","0.0001","18.4054","0.0002","21.491","0.0003","90","","102.291","0.0007","90","","3915.08","0.08","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 B F4 P2 Pd -","- C46 H43 B F4 P2 Pd -","- C184 H172 B4 F16 P8 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0559","0.0412","","","0.1022","0.1123","","","","","","1.036","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030410","13.3791","0.0003","9.9376","0.0002","19.0528","0.0005","90","","97.985","0.002","90","","2508.63","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Br P Pd -","- C29 H30 Br P Pd -","- C116 H120 Br4 P4 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0302","0.0208","","","0.0437","0.0446","","","","","","0.92","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030411","9.7334","0.0002","15.2486","0.0002","16.0612","0.0003","87.8046","0.001","80.8502","0.0011","72.6476","0.001","2246.27","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.59 H53.82 Br O0.71 P2 Pd -","- C51.59 H53.82 Br O0.705 P2 Pd -","- C103.18 H107.64 Br2 O1.41 P4 Pd2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0582","0.044","","","0.1022","0.1094","","","","","","1.02","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030412","10.1335","0.0003","6.3717","0.0003","31.1401","0.001","90","","90","","90","","2010.64","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H13 I O2 -","- C10 H13 I O2 -","- C80 H104 I8 O16 -","8","2","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0311","0.0269","","","0.0566","0.0588","","","","","","1.085","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030413","6.6232","0.0005","9.2703","0.0007","16.0938","0.0016","90","","91.834","0.008","90","","987.64","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 I O2 -","- C10 H13 I O2 -","- C40 H52 I4 O8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0535","0.0467","","","0.1105","0.1138","","","","","","1.177","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030414","12.7135","0.0012","8.5955","0.0008","8.7809","0.0007","90","","101.702","0.008","90","","939.62","0.15","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0997","0.0759","","","0.194","0.2189","","","","","","1.059","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030415","6.4001","0.0002","8.8476","0.0002","19.4784","0.0005","90","","90","","90","","1102.97","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O4 S -","- C11 H16 O4 S -","- C44 H64 O16 S4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0453","0.0345","","","0.0746","0.08","","","","","","1.062","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030416","7.2398","0.0004","9.5416","0.0004","14.6831","0.0009","90.04","0.004","81.463","0.005","85.164","0.004","999.4","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 O3 P -","- C24 H27 O3 P -","- C48 H54 O6 P2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0505","0.0401","","","0.1002","0.109","","","","","","1.046","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030417","10.548","0.0005","20.8588","0.001","7.67","0.0003","90","","110.904","0.002","90","","1576.47","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O4 -","- C17 H18 N4 O4 -","- C68 H72 N16 O16 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.1401","0.1035","","","0.2705","0.2965","","","","","","1.058","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030418","10.0125","0.0002","19.3538","0.0004","13.1438","0.0002","90","","105.824","0.001","90","","2450.48","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Br P Pd -","- C30 H30 Br P Pd -","- C120 H120 Br4 P4 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0475","0.0321","","","0.0706","0.0766","","","","","","1.037","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030449","9.6997","0.0007","9.9793","0.0006","10.2055","0.0007","66.838","0.004","73.565","0.004","80.221","0.004","869.2","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","Webster, S.; Young, P. C.; Barker, G.; Rosair, G. M.; Lee, A.-L.","Dehydrative Thiolation of Allenols: Indium vs Gold Catalysis.","The Journal of organic chemistry","2015","80","3","1703","1718","10.1021/jo502648w","","","0.71073","MoKα","","0.0734","0.0465","","","0.1039","0.1146","","","","","","1.032","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030450","5.2976","0.0013","17.593","0.004","18.456","0.005","90","","90.178","0.003","90","","1720.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K.","Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones.","The Journal of organic chemistry","2015","80","3","1375","1386","10.1021/jo502135d","","x-ray","0.71073","MoKα","","0.0538","0.0434","","","0.107","0.1156","","","","","","0.94","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030451","8.27","0.004","20.421","0.008","10.817","0.005","90","","93.676","0.011","90","","1823","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N4 O -","- C22 H16 N4 O -","- C88 H64 N16 O4 -","4","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K.","Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones.","The Journal of organic chemistry","2015","80","3","1375","1386","10.1021/jo502135d","","x-ray","0.71073","MoKα","","0.1332","0.0647","","","0.1651","0.2252","","","","","","1.018","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030452","11.354","0.012","11.372","0.012","12.317","0.013","63.176","0.012","76.23","0.013","65.626","0.012","1290","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Br N2 O2 -","- C31 H31 Br N2 O2 -","- C62 H62 Br2 N4 O4 -","2","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K.","Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones.","The Journal of organic chemistry","2015","80","3","1375","1386","10.1021/jo502135d","","x-ray","0.71073","MoKα","","0.169","0.095","","","0.228","0.2818","","","","","","0.987","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030453","9.696","0.002","10.159","0.002","10.316","0.002","61.424","0.002","78.793","0.002","65.588","0.002","812.6","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C44 H28 O6 -","2","1","","Yan, Kelu; Yang, Daoshan; Wei, Wei; Wang, Fen; Shuai, Yuanyuan; Li, Qiannan; Wang, Hua","Silver-Mediated Radical Cyclization of Alkynoates and α-Keto Acids Leading to Coumarins via Cascade Double C-C Bond Formation.","The Journal of organic chemistry","2015","80","3","1550","1556","10.1021/jo502474z","","","0.71073","MoKα","","0.054","0.0429","","","0.1073","0.1154","","","","","","1.031","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030454","8.7911","0.0011","12.5062","0.0017","21.034","0.003","104.678","0.003","101.109","0.002","93.165","0.002","2181.9","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br N O6 -","- C21 H24 Br N O6 -","- C84 H96 Br4 N4 O24 -","4","2","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.0801","0.0502","","","0.1276","0.1467","","","","","","1.038","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030455","22.299","0.003","9.1978","0.0011","15.934","0.002","90","","131.994","0.004","90","","2428.9","0.6","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H23 Br2 N O5 -","- C25 H23 Br2 N O5 -","- C100 H92 Br8 N4 O20 -","4","1","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.058","0.0454","","","0.1207","0.1638","","","","","","1.167","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030456","10.1214","0.0004","7.5832","0.0003","16.0129","0.0007","90","","103.682","0.003","90","","1194.16","0.09","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 Br N O6 -","- C26 H26 Br N O6 -","- C52 H52 Br2 N2 O12 -","2","1","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.0359","0.031","","","0.0684","0.0703","","","","","","1.039","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030457","15.5689","0.0007","12.3293","0.0005","12.3519","0.0006","90","","96.665","0.002","90","","2354.97","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Br N O5 -","- C23 H28 Br N O5 -","- C92 H112 Br4 N4 O20 -","4","1","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.1117","0.0473","","","0.0903","0.1076","","","","","","1.009","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030458","12.154","0.003","9.965","0.003","12.74","0.003","90","","101.872","0.019","90","","1510","0.7","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F8 N -","- C17 H11 F8 N -","- C68 H44 F32 N4 -","4","1","","Junk, Christopher P.; He, Yigang; Zhang, Yin; Smith, Joshua R.; Gleiter, Rolf; Kass, Steven R.; Jasinski, Jerry P.; Lemal, David M.","Synthesis and Properties of the Strained Alkene Perfluorobicyclo[2.2.0]hex-1(4)-ene.","The Journal of organic chemistry","2015","80","3","1523","1532","10.1021/jo502456h","","","0.71069","MoKα","","0.1646","0.0444","","","0.113","0.1583","","","","","","0.936","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030459","9.8175","0.001","13.2951","0.0014","13.3177","0.0014","90","","90.978","0.002","90","","1738","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","00067z","","","- C21 H12 F8 O -","- C21 H12 F8 O -","- C84 H48 F32 O4 -","4","1","","Junk, Christopher P.; He, Yigang; Zhang, Yin; Smith, Joshua R.; Gleiter, Rolf; Kass, Steven R.; Jasinski, Jerry P.; Lemal, David M.","Synthesis and Properties of the Strained Alkene Perfluorobicyclo[2.2.0]hex-1(4)-ene.","The Journal of organic chemistry","2015","80","3","1523","1532","10.1021/jo502456h","","","0.71073","MoKα","","0.0432","0.0357","","","0.0945","0.0996","","","","","","1.041","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030460","11.9085","0.0003","17.1795","0.0004","10.1524","0.0002","90","","90","","90","","2077","0.08","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H24 F2 N2 O5 -","- C18 H24 F2 N2 O5 -","- C72 H96 F8 N8 O20 -","4","1","","Mamone, Marius; Morvan, Estelle; Milcent, Thierry; Ongeri, Sandrine; Crousse, Benoit","Electrophilic amination of fluoroalkyl groups on azodicarboxylate derivatives.","The Journal of organic chemistry","2015","80","3","1964","1971","10.1021/jo502638y","","","0.71073","MoKα","","0.0326","0.0298","","0.0723","0.0713","0.0723","","","","","","1.0069","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030461","11.7835","0.0008","11.5305","0.0006","13.3166","0.0009","90","","102.697","0.007","90","","1765.1","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl3 N O3 S -","- C15 H18 Cl3 N O3 S -","- C60 H72 Cl12 N4 O12 S4 -","4","2","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.0645","0.0556","","","0.1449","0.1621","","","","","","1.08","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030462","20.15","0.003","5.8861","0.0007","30.578","0.004","90","","96.832","0.005","90","","3600.9","0.8","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl3 N O3 S -","- C16 H20 Cl3 N O3 S -","- C128 H160 Cl24 N8 O24 S8 -","8","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.0885","0.0662","","","0.1303","0.147","","","","","","1.068","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030463","6.01","0.002","10.244","0.003","16.192","0.004","92.954","0.002","91.751","0.003","102.466","0.003","971.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H22 Cl3 N O3 S -","- C17 H22 Cl3 N O3 S -","- C34 H44 Cl6 N2 O6 S2 -","2","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.0689","0.0533","","","0.1249","0.1362","","","","","","1.053","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030464","20.259","0.003","5.923","0.001","17.597","0.003","90","","115.345","0.011","90","","1908.3","0.6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H22 Cl3 N O3 S -","- C17 H22 Cl3 N O3 S -","- C68 H88 Cl12 N4 O12 S4 -","4","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.1104","0.0884","","","0.2071","0.2476","","","","","","1.158","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030465","11.1849","0.0002","11.7522","0.0002","47.233","0.003","90","","90","","90","","6208.6","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C256 H336 N16 O48 S16 -","16","4","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.0808","0.0628","","","0.1531","0.1785","","","","","","1.096","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030466","6.364","0.002","12.235","0.003","13.112","0.003","90","","90","","90","","1020.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.0409","0.0329","","","0.0755","0.0804","","","","","","1.034","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030467","6.036","0.001","10.487","0.003","17.295","0.004","92.01","0.02","92.12","0.03","105.04","0.04","1055.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl3 N O4 S -","- C18 H24 Cl3 N O4 S -","- C36 H48 Cl6 N2 O8 S2 -","2","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.7107","MoKα","","0.0879","0.0629","","","0.1579","0.1772","","","","","","1.029","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030468","9.746","0.0004","21.034","0.0008","22.8338","0.0016","90","","90","","90","","4680.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl3 N O3 S -","- C22 H24 Cl3 N O3 S -","- C176 H192 Cl24 N8 O24 S8 -","8","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.1232","0.0723","","","0.1351","0.1621","","","","","","1.058","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030469","14.712","0.002","11.439","0.002","11.175","0.003","90","","94","0.004","90","","1876.1","0.7","293","2","293","2","","","","","","","","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","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.074","0.0486","","","0.1255","0.1417","","","","","","1.032","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030470","10.489","0.003","7.978","0.001","10.912","0.002","90","","115.008","0.005","90","","827.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4a'S,5'S)-5'-phenyltetrahydro-3'H-spiro[cyclohexane-1,7'-pyrrolo[1,2-c] [1,2,3]oxathiazine] 1',1'-dioxide","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C34 H46 N2 O6 S2 -","2","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.0605","0.0409","","","0.0878","0.0963","","","","","","1.047","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030471","8.299","0.0006","10.7164","0.0008","11.8135","0.0009","95.36","0.003","91.437","0.002","106.618","0.002","1000.88","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","20120034","","","- C22 H25 Cl Ir N3 -","- C22 H25 Cl Ir N3 -","- C44 H50 Cl2 Ir2 N6 -","2","1","","Wu, Yunxiang; Yang, Yaxi; Zhou, Bing; Li, Yuanchao","Iridium(III)-Catalyzed C-7 Selective C-H Alkynylation of Indolines at Room Temperature.","The Journal of organic chemistry","2015","80","3","1946","1951","10.1021/jo502596k","","","0.71073","MoKα","","0.0169","0.0161","","","0.0498","0.0501","","","","","","1.156","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030472","10.9318","0.0008","17.8483","0.0013","20.0007","0.0015","90","","102.883","0.001","90","","3804.2","0.5","187","2","187","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H10 O -","- C78 H10 O -","- C312 H40 O4 -","4","1","","Chang, Wei-Wei; Li, Zong-Jun; He, Fa-Gui; Sun, Tao; Gao, Xiang","Electronic vs Steric Effects on the Stability of Anionic Species: A Case Study on the Ortho and Para Regioisomers of Organofullerenes.","The Journal of organic chemistry","2015","80","3","1557","1563","10.1021/jo502475w","","","0.71073","MoKα","","0.0774","0.0516","","","0.0986","0.1097","","","","","","1.049","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030473","9.0626","0.0005","14.5164","0.001","12.4684","0.0009","90","","106.449","0.004","90","","1573.16","0.18","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H62 Br2 Cl2 N6 O4 -","- C74 H62 Br2 Cl2 N6 O4 -","- C74 H62 Br2 Cl2 N6 O4 -","1","0.5","","Li, Xin; Tan, Wei; Gong, Yu-Xin; Shi, Feng","Catalyst-controlled chemoselective reaction of 3-indolylmethanols with cyclic enaminones leading to c2-functionalized indoles.","The Journal of organic chemistry","2015","80","3","1841","1848","10.1021/jo502782b","","","0.71073","MoKα","","0.0595","0.0448","","","0.1129","0.1273","","","","","","1.065","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030536","32.0238","0.0005","16.1168","0.0002","8.624","0.0006","90","","101.794","0.007","90","","4357.1","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H38 O4 -","- C23 H38 O4 -","- C184 H304 O32 -","8","1","","Yang, Wei; Cao, Jingming; Zhang, Mengxun; Lan, Rongfeng; Zhu, Lizhi; Du, Guangyan; He, Shuzhong; Lee, Chi-Sing","Systemic Study on the Biogenic Pathways of Yezo'otogirins: Total Synthesis and Antitumor Activities of (±)-Yezo'otogirin C and Its Structural Analogues.","The Journal of organic chemistry","2014","80","2","836","","10.1021/jo502267g","","","1.54187","CuKα","","0.0522","0.0479","","","0.1286","0.1346","","","","","","1.092","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030537","23.5047","0.0017","13.3187","0.0003","13.1615","0.0003","90","","90","","90","","4120.2","0.3","299","2","299","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C168 H272 O40 -","8","1","","Yang, Wei; Cao, Jingming; Zhang, Mengxun; Lan, Rongfeng; Zhu, Lizhi; Du, Guangyan; He, Shuzhong; Lee, Chi-Sing","Systemic Study on the Biogenic Pathways of Yezo'otogirins: Total Synthesis and Antitumor Activities of (±)-Yezo'otogirin C and Its Structural Analogues.","The Journal of organic chemistry","2014","80","2","836","","10.1021/jo502267g","","","1.54178","CuKα","","0.1259","0.0872","","","0.163","0.1798","","","","","","1.349","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030538","5.8763","0.0004","9.3567","0.0007","22.8256","0.0016","90","","95.152","0.004","90","","1249.94","0.15","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","isoxazolidine","(3aS,5aS,7R,8R,8aS)-1-benzyl-8-(benzyloxy)-7-((benzyloxy)methyl)hexahydro-1H-furo [2',3':2,3]furo[3,4-c]isoxazole","","- C29 H31 N O5 -","- C29 H31 N O5 -","- C58 H62 N2 O10 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0515","0.0397","","","0.1055","0.1201","","","","","","1.069","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030539","9.2798","0.0011","11.1028","0.0015","22.049","0.003","90","","90","","90","","2271.7","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azepane","(3aR,4aR,8S,9aR,9bR)-tert-butyl 9a-acetamido-8-acetoxy-2,2-dimethylhexahydro-3aH-[1,3]dioxolo [4',5':4,5]furo[2,3-c]azepine-6(9bH)-carboxylate","","- C20 H32 N2 O8 -","- C20 H32 N2 O8 -","- C80 H128 N8 O32 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0637","0.0473","","","0.1033","0.1115","","","","","","1.031","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030540","6.1419","0.001","20.457","0.003","27.077","0.004","90","","90","","90","","3402.1","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pyranoisoxazole","(3aR,5aR,7aR,10aS,10bR)-1-benzyl-9,9-dimethyloctahydro-[1,3]dioxolo [4'',5'':4',5']pyrano[2',3':2,3]furo[3,4-c]isoxazole","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C144 H184 N8 O40 -","8","2","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.1584","0.0721","","","0.1857","0.2356","","","","","","1.007","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030541","9.66","0.002","10.965","0.002","10.599","0.002","90","","96.916","0.012","90","","1114.5","0.4","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Cyclopentaisooxazole","(3aR,5R,5aS,6aR,9aR,9bR)-1-benzyl-5-(benzyloxy)-8,8-dimethyloctahydro- [1,3]dioxolo[4'',5'':4',5']furo[3',2':1,5]cyclopenta[1,2-c]isoxazole","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C50 H58 N2 O10 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0493","0.0404","","","0.1112","0.1208","","","","","","0.976","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030542","5.906","0.002","9.576","0.004","29.275","0.013","90","","90","","90","","1655.7","1.2","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Furodioxazocin","(3S,6aS,7aR,10aR,10bR)-1-benzyl-9,9-dimethylhexahydro-1H-3,10b-methano [1,3]dioxolo[4',5':4,5]furo[3,2-c][1,6,2]dioxazocine","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.045","0.0345","","","0.0716","0.0803","","","","","","1.032","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030543","7.6184","0.0003","9.1016","0.0004","15.0206","0.0007","90","","90","","90","","1041.52","0.08","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyloxazinane","((2R,4aS,6aR,7R,9aS)-2-methyloctahydrofuro[3',4':2,3]furo[3,4-d][1,3]oxazin-7-yl)methanol","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C40 H68 N4 O16 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0463","0.039","","","0.1109","0.1281","","","","","","0.973","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030544","12.804","0.004","5.996","0.002","13.75","0.005","90","","108.29","0.02","90","","1002.3","0.6","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","oxazocinyl acetate","(3S,5R,6aR,7aR,10aR,10bR)-1-benzyl-9,9-dimethyloctahydro-3,10b-methano [1,3]dioxolo[4',5':4,5]furo[3,2-c][1,2]oxazocin-5-yl acetate","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C42 H54 N2 O12 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0883","0.0574","","","0.1487","0.1965","","","","","","1.085","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030545","9.9503","0.0001","8.1458","0.0001","22.6084","0.0003","90","","92.043","0.001","90","","1831.32","0.04","173","2","173.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O Si -","- C21 H28 O Si -","- C84 H112 O4 Si4 -","4","1","","Mori-Quiroz, Luis M; Maleczka, Jr, Robert E","Stereoconvergent [1,2]- and [1,4]-Wittig Rearrangements of 2-Silyl-6-aryl-5,6-dihydropyrans: A Tale of Steric vs Electronic Regiocontrol of Divergent Pathways.","The Journal of organic chemistry","2015","80","2","1163","","10.1021/jo5026942","","","1.54178","CuKα","","0.0354","0.0329","","","0.0867","0.0887","","","","","","1.051","","","","has coordinates","201208","2020-10-21","18:00:00",""
"4030546","6.6788","0.0004","9.7813","0.0006","33.0675","0.0016","90","","90","","90","","2160.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O6 Si -","- C21 H24 N2 O6 Si -","- C84 H96 N8 O24 Si4 -","4","1","","Mori-Quiroz, Luis M; Maleczka, Jr, Robert E","Stereoconvergent [1,2]- and [1,4]-Wittig Rearrangements of 2-Silyl-6-aryl-5,6-dihydropyrans: A Tale of Steric vs Electronic Regiocontrol of Divergent Pathways.","The Journal of organic chemistry","2015","80","2","1163","","10.1021/jo5026942","","x-ray","1.54178","CuKα","","0.1006","0.0834","","","0.2177","0.2276","","","","","","1.088","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030547","6.0115","0.0004","7.0059","0.0004","38.087","0.002","90","","90","","90","","1604.07","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F2 O2 -","- C19 H22 F2 O2 -","- C76 H88 F8 O8 -","4","1","","Thaharn, Watcharaporn; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Asymmetric Synthesis of gem-Difluoromethylenated Linear Triquinanes via Cascade gem-Difluoroalkyl Radical Cyclization.","The Journal of organic chemistry","2015","80","2","816","827","10.1021/jo5022579","","","0.71073","MoKα","","0.0777","0.0655","","","0.1391","0.145","","","","","","1.169","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030548","9.0305","0.0018","10.168","0.002","13.691","0.003","110.45","0.03","97.33","0.03","97.85","0.03","1145.9","0.5","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O -","- C30 H32 O -","- C60 H64 O2 -","2","1","","Zhang, Feng-Zhi; Tian, Yan; Li, Guo-Xing; Qu, Jin","Intramolecular Etherification and Polyene Cyclization of π-Activated Alcohols Promoted by Hot Water.","The Journal of organic chemistry","2015","80","2","1107","","10.1021/jo502636d","","","0.71073","MoKα","","0.0716","0.0459","","","0.1062","0.1183","","","","","","0.996","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030549","8.4181","0.0004","10.6238","0.0005","19.2166","0.0009","90","","90","","90","","1718.58","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","SBR1332","","","- C21 H16 N O2 S -","- C21 H17 N O2 S -","- C84 H68 N4 O8 S4 -","4","1","","Seo, Boram; Jeon, Woo Hyung; Kim, Jaeeun; Kim, Sunghwa; Lee, Phil Ho","Synthesis of Fluorenes via Tandem Copper-Catalyzed [3 + 2] Cycloaddition and Rhodium-Catalyzed Denitrogenative Cyclization in a 5-Exo Mode from 2-Ethynylbiaryls and N-Sulfonyl Azides in One Pot.","The Journal of organic chemistry","2014","80","2","722","","10.1021/jo5027113","","","0.71073","","","0.0645","0.0451","","","0.0902","0.0998","","","","","","1.033","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030550","8.1416","0.0004","12.3151","0.0006","16.6694","0.0008","90","","90","","90","","1671.35","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S,Rp)-(-)-Methyl N-t-butoxycarbonyl-N-(1-phenylethyl)-hydroxymethylphosphonamidate","","- C15 H24 N O5 P -","- C15 H24 N O5 P -","- C60 H96 N4 O20 P4 -","4","1","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0436","0.0357","","","0.0849","0.0888","","","","","","1.016","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030551","6.146","0.0002","9.9844","0.0004","27.163","0.0011","90","","90","","90","","1666.83","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Rp)-(+)-Methyl (1-t-butoxycarbonylamino-1-phenylethyl)-(hydroxymethyl)phosphinate","","- C15 H24 N O5 P -","- C15 H24 N O5 P -","- C60 H96 N4 O20 P4 -","4","1","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0374","0.0326","","","0.0854","0.0882","","","","","","1.057","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030552","11.9276","0.001","13.603","0.0013","11.5725","0.0011","90","","100.976","0.004","90","","1843.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(R*,Sp*)-(+/-)-methyl [1-(t-butoxycarbonylamino)-3-methylbutyl]-(acetoxymethyl)phosphinate","","- C14 H28 N O6 P -","- C14 H28 N O6 P -","- C56 H112 N4 O24 P4 -","4","1","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0539","0.0413","","","0.114","0.125","","","","","","1.025","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030553","16.62","0.0007","12.9107","0.0006","18.0311","0.0008","90","","110.184","0.002","90","","3631.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(S*,Sp*)-(+/-)-methyl N-Boc-N-(1,2,3,4-tetrahydronaphthalen-1-yl)- hydroxymethylphosphonamidate","","- C17 H26 N O5 P -","- C17 H26 N O5 P -","- C136 H208 N8 O40 P8 -","8","2","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0505","0.0382","","","0.093","0.1012","","","","","","1.054","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030554","11.4665","0.0007","7.6859","0.0003","16.067","0.0011","90","","104.046","0.003","90","","1373.65","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O S -","- C16 H18 O S -","- C64 H72 O4 S4 -","4","2","","Ruppenthal, Simon; Brückner, Reinhard","Symmetric Diarylsulfoxides as Asymmetric Sulfinylating Reagents for Dialkylmagnesium Compounds.","The Journal of organic chemistry","2014","80","2","897","","10.1021/jo502417j","","","0.71073","MoKα","","0.051","0.0438","","","0.1092","0.1151","","","","","","1.022","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030555","9.457","0.0019","12.543","0.003","14.467","0.003","90","","94.72","0.03","90","","1710.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","","Wang, Peng-Fei; Jiang, Chun-Huan; Wen, Xiaoan; Xu, Qing-Long; Sun, Hongbin","C-H Bond Functionalization via [1,5]-Hydride Shift/Cyclization Sequence: Approach to Spiroindolenines.","The Journal of organic chemistry","2015","80","2","1155","","10.1021/jo5026817","","","0.71073","MoKα","","0.1432","0.0662","","","0.1469","0.1837","","","","","","1.004","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030556","7.9118","0.0006","9.9589","0.0008","12.639","0.0001","69.83","0.04","86.015","0.002","69.41","0.001","873.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O -","- C20 H23 N3 O -","- C40 H46 N6 O2 -","2","1","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing","Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond.","The Journal of organic chemistry","2015","80","2","1025","","10.1021/jo5025199","","","1.54178","CuKα","","0.2055","0.1161","","","0.2938","0.3993","","","","","","1.015","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030557","15.1376","0.0013","6.8224","0.0012","18.6237","0.0019","90","","103.629","0.002","90","","1869.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O S -","- C21 H19 N3 O S -","- C84 H76 N12 O4 S4 -","4","1","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing","Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond.","The Journal of organic chemistry","2015","80","2","1025","","10.1021/jo5025199","","","0.71073","MoKα","","0.2246","0.0838","","","0.1476","0.2266","","","","","","1.01","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030558","13.3184","0.0013","7.1606","0.0005","17.5832","0.0018","90","","94.31","0.001","90","","1672.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Br N3 O2 -","- C19 H14 Br N3 O2 -","- C76 H56 Br4 N12 O8 -","4","1","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing","Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond.","The Journal of organic chemistry","2015","80","2","1025","","10.1021/jo5025199","","","0.71073","MoKα","","0.1494","0.0667","","","0.1515","0.1708","","","","","","1.019","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030559","9.8175","0.0019","10.663","0.002","18.25","0.004","90","","90","","90","","1910.5","0.7","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 -","- C11 H11 N3 -","- C88 H88 N24 -","8","1","","Xu, Hao; Ma, Shuang; Xu, Yuanqing; Bian, Longxiang; Ding, Tao; Fang, Xiaomin; Zhang, Wenkai; Ren, Yanrong","Copper-catalyzed one-pot synthesis of 1,2,4-triazoles from nitriles and hydroxylamine.","The Journal of organic chemistry","2015","80","3","1789","1794","10.1021/jo502709t","","","0.71073","MoKα","","0.085","0.057","","","0.1517","0.1739","","","","","","1.063","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030560","9.5559","0.0005","13.1086","0.0007","15.3621","0.0008","105.124","0.002","102.639","0.002","103.148","0.002","1727.97","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","9,18-di(4-bromophenyl)tetrabenzo[a,de,j,mn]tetracen-4,13-dione","","- C44.8 H23.59 Br2 Cl1.59 O2 -","- C44.797 H23.594 Br2 Cl1.594 O2 -","- C89.594 H47.188 Br4 Cl3.188 O4 -","2","1","","Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V.","Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones.","The Journal of organic chemistry","2015","80","3","1618","1631","10.1021/jo502543b","","","0.71073","MoKα","","0.0728","0.0425","","","0.1139","0.1228","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030561","11.5675","0.0005","24.3565","0.0011","12.0597","0.0005","90","","98.503","0.002","90","","3360.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9,18-di(isoquinolin-4-yl)tetrabenzo[a,de,j,mn]tetracene-4,13-dione","","- C50 H26 N2 O2 -","- C50 H26 N2 O2 -","- C200 H104 N8 O8 -","4","1","","Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V.","Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones.","The Journal of organic chemistry","2015","80","3","1618","1631","10.1021/jo502543b","","","0.71073","MoKα","","0.0869","0.0478","","","0.1136","0.1377","","","","","","1.104","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030562","9.275","0.002","18.499","0.004","8.4499","0.0019","90","","97.966","0.008","90","","1435.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-hydroxy-1-propyl-7H-benzo[d,e]anthracen-7-one","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V.","Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones.","The Journal of organic chemistry","2015","80","3","1618","1631","10.1021/jo502543b","","","0.71073","MoKα","","0.1165","0.0503","","","0.1051","0.1308","","","","","","0.985","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030563","7.4641","0.0005","10.1247","0.0006","11.5543","0.001","93.217","0.006","105.398","0.007","93.602","0.005","837.76","0.11","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C42 H32 N4 O6 -","2","1","","Rao, H. Surya Prakash; Rao, A. Veera Bhadra","Copper-Catalyzed C(sp(3))-OH Cleavage with Concomitant C-C Coupling: Synthesis of 3-Substituted Isoindolinones.","The Journal of organic chemistry","2015","80","3","1506","1516","10.1021/jo502446k","","","0.7107","MoKα","","0.062","0.04","","","0.0891","0.0988","","","","","","1.051","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030564","4.8196","0.0001","12.2685","0.0002","24.9326","0.0004","90","","90","","90","","1474.25","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","","Njiojob, Costyl N.; Rhinehart, Jennifer L.; Bozell, Joseph J.; Long, Brian K.","Synthesis of enantiomerically pure lignin dimer models for catalytic selectivity studies.","The Journal of organic chemistry","2015","80","3","1771","1780","10.1021/jo502685k","","","0.71073","MoKα","","0.0399","0.0384","","","0.1131","0.1147","","","","","","1.094","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030565","9.656","0.0007","8.9641","0.0008","11.7189","0.0008","90","","96.272","0.007","90","","1008.29","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1,3-dithiolan-2-yl)-1H-benzo[d]imidazole","","- C10 H10 N2 S2 -","- C10 H10 N2 S2 -","- C40 H40 N8 S8 -","4","1","","Aruri, Hariprasad; Singh, Umed; Sharma, Sumit; Gudup, Satish; Bhogal, Mukesh; Kumar, Sanjay; Singh, Deepika; Gupta, Vivek K.; Kant, Rajni; Vishwakarma, Ram A.; Singh, Parvinder Pal","Cross-Dehydrogenative Coupling of Azoles with α-C(sp(3))-H of Ethers and Thioethers under Metal-Free Conditions: Functionalization of H-N Azoles via C-H Activation.","The Journal of organic chemistry","2015","80","3","1929","1936","10.1021/jo502477r","","","0.71073","MoKα","","0.0679","0.0461","","","0.1049","0.1198","","","","","","1.025","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030566","9.3527","0.0015","10.9033","0.0016","11.9661","0.0018","100.759","0.007","99.8","0.007","91.703","0.008","1178.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 F3 O1.25 -","- C13 H15 F3 O1.25 -","- C52 H60 F12 O5 -","4","2","","Mandhapati, Appi Reddy; Kato, Takayuki; Matsushita, Takahiko; Ksebati, Bashar; Vasella, Andrea; Böttger, Erik C; Crich, David","Fluorine-decoupled carbon spectroscopy for the determination of configuration at fully substituted, trifluoromethyl- and perfluoroalkyl-bearing carbons: comparison with (19)f-(1)h heteronuclear overhauser effect spectroscopy.","The Journal of organic chemistry","2015","80","3","1754","1763","10.1021/jo502677a","","","0.71073","MoKα","","0.1238","0.0619","","","0.1534","0.1846","","","","","","0.918","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030567","19.293","0.003","10.8085","0.001","36.754","0.007","90","","104.829","0.019","90","","7409","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H43 Cl9 F8 N8 -","- C83 H43 Cl9 F8 N8 -","- C332 H172 Cl36 F32 N32 -","4","1","","Marin, Lidia; Kudrjasova, Julija; Verstappen, Pieter; Penxten, Huguette; Robeyns, Koen; Lutsen, Laurence; Vanderzande, Dirk J. M.; Maes, Wouter","Quinoxaline-Based Cyclo(oligophenylenes).","The Journal of organic chemistry","2015","80","4","2425","2430","10.1021/jo502771a","","","0.71073","MoKα","","0.132","0.0893","","","0.2268","0.2592","","","","","","1.041","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030568","13.7108","0.0019","13.7888","0.0013","17.7891","0.0015","89.424","0.007","70.125","0.01","62.429","0.012","2759.5","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H39 Cl9 N6 -","- C63 H39 Cl9 N6 -","- C126 H78 Cl18 N12 -","2","1","","Marin, Lidia; Kudrjasova, Julija; Verstappen, Pieter; Penxten, Huguette; Robeyns, Koen; Lutsen, Laurence; Vanderzande, Dirk J. M.; Maes, Wouter","Quinoxaline-Based Cyclo(oligophenylenes).","The Journal of organic chemistry","2015","80","4","2425","2430","10.1021/jo502771a","","","0.71073","MoKα","","0.0748","0.0586","","","0.1489","0.1599","","","","","","1.015","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030569","12.5837","0.0018","7.4112","0.0009","15.494","0.0014","90","","97.412","0.01","90","","1432.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Díaz, Jimena E; Vanthuyne, Nicolas; Rispaud, Hélène; Roussel, Christian; Vega, Daniel; Orelli, Liliana R.","Atropisomerism in amidinoquinoxaline N-oxides: effect of the ring size and substituents on the enantiomerization barriers.","The Journal of organic chemistry","2015","80","3","1689","1695","10.1021/jo502626f","","","0.71073","MoKα","","0.2128","0.0773","","","0.2015","0.2632","","","","","","0.925","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030570","20.0898","0.0004","29.1629","0.0005","30.126","0.0006","93.1848","0.0015","103.524","0.0016","107.635","0.0017","16201.4","0.6","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C94.5 H102.25 N Si3 -","- C94.5 H102.25 N Si3 -","- C756 H818 N8 Si24 -","8","4","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.0935","0.071","","","0.192","0.2083","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030571","30.7925","0.0009","16.2373","0.0006","34.0415","0.0016","90","","90","","90","","17020.3","1.1","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H69 N O6 S3 -","- C78 H69 N O6 S3 -","- C624 H552 N8 O48 S24 -","8","1","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.1249","0.0966","","","0.2928","0.3178","","","","","","1.177","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030572","21.924","0.0004","37.2892","0.0007","10.7444","0.0002","90","","90","","90","","8783.9","0.3","173","0.1","173","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C101 H109 N O4 S3 Si3 -","- C101 H109 N O4 S3 Si3 -","- C404 H436 N4 O16 S12 Si12 -","4","0.5","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.0691","0.0607","","","0.1596","0.168","","","","","","1.049","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030573","10.4022","0.0006","13.0301","0.0008","14.716","0.0008","109.281","0.004","95.936","0.005","93.636","0.005","1862.52","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H25 B F15 N Si2 -","- C37 H25 B F15 N Si2 -","- C74 H50 B2 F30 N2 Si4 -","2","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0748","0.047","","","0.103","0.1205","","","","","","1.03","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030574","19.0787","0.0006","12.0494","0.0002","34.269","0.0012","90","","111.9","0.002","90","","7309.5","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 B F15 N Si2 -","- C37 H25 B F15 N Si2 -","- C296 H200 B8 F120 N8 Si16 -","8","2","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0764","0.0539","","","0.1283","0.1431","","","","","","1.044","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030575","13.0052","0.0002","7.3635","0.0001","20.9912","0.0004","90","","101.869","0.001","90","","1967.22","0.06","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F5 N O Si -","- C22 H18 F5 N O Si -","- C88 H72 F20 N4 O4 Si4 -","4","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","0.71073","MoKα","","0.052","0.0448","","","0.1158","0.1225","","","","","","1.04","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030576","24.4029","0.0008","6.2523","0.0002","29.3312","0.001","90","","102.229","0.002","90","","4373.6","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 F5 O S Si2 -","- C20 H21 F5 O S Si2 -","- C160 H168 F40 O8 S8 Si16 -","8","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0507","0.0459","","","0.1286","0.1329","","","","","","1.044","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030577","23.8836","0.0007","10.9631","0.0003","29.7545","0.0006","90","","108.263","0.002","90","","7398.4","0.3","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C33 H21 B F15 N Si2 -","- C33 H21 B F15 N Si2 -","- C264 H168 B8 F120 N8 Si16 -","8","2","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0869","0.0684","","","0.1967","0.212","","","","","","1.064","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030578","14.2884","0.0002","10.0454","0.0002","23.209","0.0005","90","","94.795","0.001","90","","3319.59","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 B F15 N Si2 -","- C33 H21 B F15 N Si2 -","- C132 H84 B4 F60 N4 Si8 -","4","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","0.71073","MoKα","","0.1116","0.0723","","","0.1341","0.155","","","","","","1.071","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030579","14.518","0.01","6.084","0.004","20.729","0.01","90","","128.85","0.03","90","","1425.9","1.6","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Wang, Xu; Li, Shen-Yan; Pan, Ying-Ming; Wang, Heng-Shan; Chen, Zhen-Feng; Huang, Ke-Bin","Regioselective palladium-catalyzed decarboxylative cross-coupling reaction of alkenyl acids with coumarins: synthesis of 3-styrylcoumarin compounds.","The Journal of organic chemistry","2015","80","4","2407","2412","10.1021/jo502572j","","","0.71073","MoKα","","0.1024","0.0632","","","0.1882","0.2284","","","","","","1.0792","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030580","6.195","0.001","9.737","0.001","19.016","0.002","90","","90","","90","","1147.1","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-t-butyl(hydroxymethyl)phenylphosphine oxide","","- C11 H17 O2 P -","- C11 H17 O2 P -","- C44 H68 O8 P4 -","4","1","","Sowa, Sylwia; Stankevič, Marek; Szmigielska, Anna; Małuszyńska, Hanna; Kozioł, Anna E; Pietrusiewicz, K Michał","Reduction of Functionalized Tertiary Phosphine Oxides with BH3.","The Journal of organic chemistry","2015","80","3","1672","1688","10.1021/jo502623g","","","1.54184","CuKα","","0.0313","0.0297","","","0.0795","0.0814","","","","","","1.063","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030581","8.2615","0.0004","10.9454","0.0009","23.208","0.002","90","","97.076","0.008","90","","2082.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N2 O2 S -","- C22 H30 N2 O2 S -","- C88 H120 N8 O8 S4 -","4","1","","Kim, Jinho; Stahl, Shannon S.","Cu-Catalyzed Aerobic Oxidative Three-Component Coupling Route to N-Sulfonyl Amidines via an Ynamine Intermediate.","The Journal of organic chemistry","2015","80","4","2448","2454","10.1021/jo5029198","","x-ray","1.54178","CuKα","K-L~3~","0.0327","0.0326","","","0.0843","0.0844","","","","","","1.049","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030582","9.0178","0.0003","8.8539","0.0003","46.2151","0.0014","90","","93.785","0.002","90","","3681.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 N2 -","- C50.65 H44.4 N2 -","- C202.6 H177.6 N8 -","4","1","","Diner, Colin; Scott, David E.; Tykwinski, Rik R.; Gray, Murray R.; Stryker, Jeffrey M.","Scalable, chromatography-free synthesis of alkyl-tethered pyrene-based materials. Application to first-generation ""archipelago model"" asphaltene compounds.","The Journal of organic chemistry","2015","80","3","1719","1726","10.1021/jo502650m","","","1.54178","CuKα","","0.119","0.0719","","","0.1731","0.212","","","","","","1.021","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030583","6.9967","0.0003","8.5345","0.0005","9.7334","0.0006","110.752","0.005","94.833","0.004","106.902","0.005","508.51","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","","Guthrie, Daryl A.; Ho, Anthony; Takahashi, Cyrus G.; Collins, Anthony; Morris, Matthew; Toscano, John P.","""Catch-and-Release"" of HNO with Pyrazolones.","The Journal of organic chemistry","2015","80","3","1338","1348","10.1021/jo502330w","","","0.71073","MoKα","","0.0399","0.035","","","0.0976","0.1011","","","","","","1.059","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030584","17.043","0.0006","17.043","0.0006","11.1065","0.0009","90","","90","","90","","3226","0.3","293","2","293","2","","","","","","","","4","P 4/n","-P 4a","85","","","","- C18 H20 F2 O2 -","- C18 H20 F2 O2 -","- C144 H160 F16 O16 -","8","","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.1401","0.0829","","","0.1661","0.1952","","","","","","1.084","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030585","6.6313","0.001","10.6643","0.0017","21.166","0.003","90","","90.379","0.003","90","","1496.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F2 O3 S -","- C16 H14 F2 O3 S -","- C64 H56 F8 O12 S4 -","4","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.0936","0.0738","","","0.1598","0.1699","","","","","","1.16","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030586","9.5872","0.0006","19.0689","0.0013","9.796","0.0006","90","","97.789","0.002","90","","1774.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C92 H92 F4 O8 -","4","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.087","0.0704","","","0.1603","0.1713","","","","","","1.146","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030587","8.5636","0.0008","9.5609","0.0009","10.2957","0.001","75.98","0.002","75.691","0.002","72.424","0.002","765.76","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F2 O3 S -","- C16 H14 F2 O3 S -","- C32 H28 F4 O6 S2 -","2","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.1235","0.0789","","","0.1705","0.196","","","","","","1.073","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030588","10.1133","0.0017","13.543","0.002","23.296","0.004","90","","90","","90","","3190.7","0.9","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Br N O4 S -","- C40 H32 Br N O4 S -","- C160 H128 Br4 N4 O16 S4 -","4","1","","Wang, Zi-Tian; Zhao, Yuan; Wang, Zhan-Yong; Cheng, Ying","N-Heterocyclic Carbene-Catalyzed Diastereoselective and Enantioselective Reaction of 2-Aroylvinylcinnamaldehydes with α,β-Unsaturated Imines: Complete Control and Switch of Diastereoselectivity by N-Substituents of Catalysts.","The Journal of organic chemistry","2015","80","3","1727","1734","10.1021/jo502668c","","","0.71075","MoKα","","0.0492","0.0391","","","0.0688","0.0727","","","","","","0.985","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030589","13.021","0.0013","13.5047","0.0014","22.336","0.002","95.904","0.009","103.415","0.006","92.267","0.004","3792.1","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Br N O6 S -","- C44 H40 Br N O6 S -","- C176 H160 Br4 N4 O24 S4 -","4","2","","Wang, Zi-Tian; Zhao, Yuan; Wang, Zhan-Yong; Cheng, Ying","N-Heterocyclic Carbene-Catalyzed Diastereoselective and Enantioselective Reaction of 2-Aroylvinylcinnamaldehydes with α,β-Unsaturated Imines: Complete Control and Switch of Diastereoselectivity by N-Substituents of Catalysts.","The Journal of organic chemistry","2015","80","3","1727","1734","10.1021/jo502668c","","","0.71075","MoKα","","0.0713","0.0518","","","0.1234","0.137","","","","","","1.055","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030590","6.9842","0.0003","8.328","0.0003","36.1818","0.0018","90","","90","","90","","2104.49","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N O8 P -","- C18 H28 N O8 P -","- C72 H112 N4 O32 P4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Quinine-Derived Thiourea and Squaramide Catalyzed Conjugate Addition of α-Nitrophosphonates to Enones: Asymmetric Synthesis of Quaternary α-Aminophosphonates.","The Journal of organic chemistry","2015","80","3","1402","1413","10.1021/jo502332r","","","0.71073","MoKα","","0.0709","0.0542","","","0.1321","0.1479","","","","","","1.047","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030591","10.158","0.005","6.593","0.005","13.228","0.005","90","0.004","98.716","0.005","90","0.005","875.7","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H21 Br N O6 P -","- C15 H21 Br N O6 P -","- C30 H42 Br2 N2 O12 P2 -","2","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Quinine-Derived Thiourea and Squaramide Catalyzed Conjugate Addition of α-Nitrophosphonates to Enones: Asymmetric Synthesis of Quaternary α-Aminophosphonates.","The Journal of organic chemistry","2015","80","3","1402","1413","10.1021/jo502332r","","","0.71073","MoKα","","0.0657","0.0533","","","0.1002","0.1094","","","","","","1.016","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030592","12.68","0.02","19.14","0.03","6.208","0.012","90","","90","","90","","1507","4","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O6 S -","- C17 H18 O6 S -","- C68 H72 O24 S4 -","4","1","","Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa","Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation.","The Journal of organic chemistry","2015","80","3","1735","1745","10.1021/jo5026699","","","0.71075","MoKα","","","0.0977","","","","0.2489","","","","","","1.08","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030593","8.1853","0.0003","8.4902","0.0002","10.5848","0.0003","94.6382","0.0017","108.843","0.0017","91.7329","0.0018","692.65","0.04","173","","173","","","","","","","","","6","P 1","P 1","1","","","","- C26 H37 Cl O6 S Si -","- C26 H37 Cl O6 S Si -","- C26 H37 Cl O6 S Si -","1","1","","Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa","Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation.","The Journal of organic chemistry","2015","80","3","1735","1745","10.1021/jo5026699","","","1.54187","CuKα","","0.0616","0.0551","","","0.1406","0.1633","","","","","","1.151","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030594","11.8115","0.0015","12.0852","0.0016","13.2004","0.0018","94.688","0.009","106.38","0.009","105.365","0.008","1718.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N2 O8 S -","- C34 H42 N2 O8 S -","- C68 H84 N4 O16 S2 -","2","1","","Aher, Ravindra D.; Kumar, B. Senthil; Sudalai, Arumugam","Proline-Catalyzed Sequential syn-Mannich and [4 + 1]-Annulation Cascade Reactions To Form Densely Functionalized Pyrrolidines.","The Journal of organic chemistry","2015","80","3","2024","2031","10.1021/jo5028886","","","0.71073","MoKα","","0.111","0.0898","","","0.1652","0.1743","","","","","","1.19","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030595","9.605","0.0003","9.8138","0.0003","13.498","0.0004","92.198","0.002","101.769","0.002","90.037","0.002","1244.63","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 Br N2 -","- C14 H11 Br N2 -","- C56 H44 Br4 N8 -","4","2","","Mahesh, Devulapally; Sadhu, Pradeep; Punniyamurthy, Tharmalingam","Copper(I)-Catalyzed Regioselective Amination of N-Aryl Imines Using TMSN3 and TBHP: A Route to Substituted Benzimidazoles.","The Journal of organic chemistry","2015","80","3","1644","1650","10.1021/jo502574u","","","0.71073","MoKα","","0.0772","0.0472","","","0.1486","0.1669","","","","","","1.096","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030596","8.795","0.002","8.642","0.002","17.912","0.005","90","","95.751","0.004","90","","1354.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 B O2 S -","- C13 H19 B O2 S -","- C52 H76 B4 O8 S4 -","4","1","","Civit, Marc G.; Sanz, Xavier; Vogels, Christopher M.; Webb, Jonathan D.; Geier, Stephen J.; Decken, Andreas; Bo, Carles; Westcott, Stephen A.; Fernández, Elena","Thioboration of α,β-Unsaturated Ketones and Aldehydes toward the Synthesis of β-Sulfido Carbonyl Compounds.","The Journal of organic chemistry","2015","80","4","2148","2154","10.1021/jo5026354","","","0.71073","MoKα","","0.0774","0.068","","","0.1947","0.1984","","","","","","1.005","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030597","10.1519","0.0009","11.209","0.001","14.0068","0.0013","90","","97","0.001","90","","1582","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C68 H64 Br4 N4 O12 -","4","2","","Zhou, Yirong; Yang, Qin; Shen, Jian; Chen, Xin; Peng, Yiyuan; Gong, Yuefa","Merging asymmetric Henry reaction with organocatalytic cascade reaction for the construction of a chiral indolizidine alkaloid skeleton.","The Journal of organic chemistry","2015","80","3","1446","1456","10.1021/jo502379v","","","0.71073","MoKα","","0.0708","0.0367","","","0.0657","0.0748","","","","","","0.911","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030598","7.349","0.002","7.076","0.002","19.278","0.006","90","","94.651","0.005","90","","999.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 Cl I N O -","- C9 H5 Cl I N O -","- C36 H20 Cl4 I4 N4 O4 -","4","1","","Chen, Wenwen; Zhang, Jianlan; Wang, Bo; Zhao, Zhouxing; Wang, Xinyan; Hu, Yuefei","Tandem Synthesis of 3-Chloro-4-iodoisoxazoles from 1-Copper(I) Alkynes, Dichloroformaldoxime, and Molecular Iodine.","The Journal of organic chemistry","2015","80","4","2413","2417","10.1021/jo502634h","","","0.71073","MoKα","","0.0293","0.0243","","","0.0844","0.1141","","","","","","1.07","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030599","8.7897","0.0004","9.3515","0.0005","27.8276","0.0012","90","","90","","90","","2287.34","0.19","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N3 O2 S -","- C23 H35 N3 O2 S -","- C92 H140 N12 O8 S4 -","4","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.7107","MoKα","","0.0441","0.038","","","0.0794","0.0821","","","","","","1.012","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030600","17.4169","0.0007","17.4169","0.0007","13.7581","0.0005","90","","90","","120","","3614.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 65","P 65","170","sy1ja686b","","","- C24 H35 N3 O2 -","- C24 H35 N3 O2 -","- C144 H210 N18 O12 -","6","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.71073","MoKα","","0.0522","0.0378","","","0.084","0.0898","","","","","","1.075","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030601","4.8715","0.0002","13.7364","0.0005","31.9079","0.001","90","","90","","90","","2135.18","0.13","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N3 O2 -","- C24 H27 N3 O2 -","- C96 H108 N12 O8 -","4","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.7107","MoKα","","0.076","0.0479","","","0.1058","0.1223","","","","","","1.035","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030602","15.08539","0.00016","22.7205","0.0002","12.63479","0.00012","90","","95.2052","0.0009","90","","4312.69","0.07","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C156 H180 N36 O48 -","12","3","","Guthrie, Daryl A.; Nourian, Saghar; Takahashi, Cyrus G.; Toscano, John P.","Curtailing the Hydroxylaminobarbituric Acid-Hydantoin Rearrangement To Favor HNO Generation.","The Journal of organic chemistry","2015","80","3","1349","1356","10.1021/jo5023316","","","1.54178","CuKα","","0.0503","0.0452","","","0.1284","0.1333","","","","","","1.057","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030611","7.235","0.0006","7.7188","0.0006","10.6228","0.0009","92.941","0.007","94.611","0.007","102.675","0.007","575.45","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 F N2 O5 -","- C11 H13 F N2 O5 -","- C22 H26 F2 N4 O10 -","2","1","","Clarkson, Rob; Komsta, Zofia; Mayes, Benjamin A.; Moussa, Adel; Shelbourne, Montserrat; Stewart, Alistair; Tyrrell, Andrew J.; Wallis, Laura L.; Weymouth-Wilson, Alexander C","Synthesis of 2,3-Dideoxy-2-fluoro-2,3-endo-methylene- and 2,3-Dideoxy-2-fluoro-3-C-hydroxymethyl-2,3-endo-methylene-pentofuranoses and Their Use in the Preparation of Conformationally Locked Bicyclic Nucleosides.","The Journal of organic chemistry","2015","80","4","2198","2215","10.1021/jo502712g","","","1.54184","CuKα","","0.0529","0.0432","","0.1141","0.106","0.1141","","","","","","1.0099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030612","5.909","0.002","9.42","0.003","12.251","0.004","97.002","0.01","92.212","0.009","103.538","0.01","656.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Br N2 O2 -","- C11 H17 Br N2 O2 -","- C22 H34 Br2 N4 O4 -","2","1","","Huber, Tatjana; Kaiser, Daniel; Rickmeier, Jens; Magauer, Thomas","Experimental Studies on the Selective β-C-H Halogenation of Enones.","The Journal of organic chemistry","2015","80","4","2281","2294","10.1021/jo502809d","","","0.71073","MoKα","","0.1943","0.1051","","","0.2586","0.3029","","","","","","1.091","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030613","15.3129","0.0005","6.1061","0.0002","18.3965","0.0007","90","","97.713","0.004","90","","1704.55","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cl2 N O -","- C21 H13 Cl2 N O -","- C84 H52 Cl8 N4 O4 -","4","1","","Song, Xian-Rong; Qiu, Yi-Feng; Song, Bo; Hao, Xin-Hua; Han, Ya-Ping; Gao, Pin; Liu, Xue-Yuan; Liang, Yong-Min","BF3·Et2O-Promoted Cleavage of the Csp-Csp2 Bond of 2-Propynolphenols/Anilines: Route to C2-Alkenylated Benzoxazoles and Benzimidazoles.","The Journal of organic chemistry","2015","80","4","2263","2271","10.1021/jo502761x","","","0.71073","MoKα","","0.1002","0.0526","","","0.0932","0.1157","","","","","","1.034","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030647","15.5917","0.0002","6.83809","0.0001","14.0291","0.0002","90","","97.0284","","90","","1484.51","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 O4 S2 -","- C36 H30 O4 S2 -","- C72 H60 O8 S4 -","2","0.5","","Takeda, Takashi; Akutagawa, Tomoyuki","Preparation, Structure, and Redox Behavior of Bis(diarylmethylene)dihydrothiophene and Its π-Extended Analogues.","The Journal of organic chemistry","2015","80","4","2455","2461","10.1021/acs.joc.5b00021","","","1.54187","CuKα","","","0.0489","","","","0.1415","","","","","","1.064","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030648","15.7337","0.0007","7.0498","0.0004","9.911","0.0005","90","","90","","90","","1099.32","0.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0822","0.0439","","","0.0819","0.0974","","","","","","1.017","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030649","14.4847","0.0004","14.2985","0.0004","16.2284","0.0005","90","","90","","90","","3361.06","0.17","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C136 H168 N24 O40 -","8","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0974","0.0485","","","0.1073","0.1337","","","","","","1.018","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030650","13.2661","0.0008","8.4355","0.0004","11.2895","0.0006","90","","110.075","0.003","90","","1186.61","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0901","0.0507","","","0.1062","0.1274","","","","","","1.033","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030651","13.9795","0.0004","8.4328","0.0002","14.2374","0.0004","90","","91.868","0.002","90","","1677.5","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0838","0.0484","","","0.1062","0.1234","","","","","","1.021","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030652","8.5834","0.0003","14.8435","0.0005","16.2877","0.0006","90","","99.823","0.001","90","","2044.76","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C88 H92 N12 O20 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0616","0.0445","","","0.1121","0.1242","","","","","","1.031","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030653","10.4755","0.0004","14.1633","0.0006","10.9706","0.0004","90","","100.198","0.002","90","","1601.97","0.11","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0475","0.0363","","","0.0826","0.0886","","","","","","1.019","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030654","7.0209","0.0002","7.6049","0.0002","23.4143","0.0005","90","","90","","90","","1250.17","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C48 H48 Br4 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.045","0.0322","","","0.0613","0.0645","","","","","","1.028","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030655","7.5869","0.0004","14.3161","0.0008","7.9651","0.0004","90","","117.226","0.002","90","","769.28","0.07","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C34 H28 N8 O8 -","2","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0669","0.0454","","","0.0919","0.1051","","","","","","1.037","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030669","6.6807","0.0005","7.3529","0.0006","17.0246","0.0013","90","","90","","90","","836.29","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Wagner, Alexander; Ofial, Armin R.","Potassium Thiocyanate as Source of Cyanide for the Oxidative α-Cyanation of Tertiary Amines.","The Journal of organic chemistry","2015","80","5","2848","2854","10.1021/jo502846c","","","0.71073","MoKα","","0.0353","0.031","","","0.074","0.0761","","","","","","1.09","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030670","8.171","0.008","8.979","0.008","11.675","0.011","95.56","0.03","95.62","0.03","101.11","0.03","830.6","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C36 H34 N6 O8 -","2","1","","Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao","Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst.","The Journal of organic chemistry","2015","80","5","2724","2732","10.1021/jo502901h","","","0.71073","MoKα","","0.1948","0.088","","","0.2","0.2386","","","","","","0.935","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030671","7.595","0.0004","13.7694","0.0008","15.7113","0.0012","64.051","0.002","88.667","0.003","76.613","0.002","1431.54","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Br Cl2 N3 O5 -","- C30 H24 Br Cl2 N3 O5 -","- C60 H48 Br2 Cl4 N6 O10 -","2","1","","Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao","Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst.","The Journal of organic chemistry","2015","80","5","2724","2732","10.1021/jo502901h","","","0.71073","MoKα","","0.0664","0.0421","","","0.102","0.1105","","","","","","1.015","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030672","7.9707","0.0019","8.873","0.002","16.273","0.004","90","","90","","90","","1150.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao","Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst.","The Journal of organic chemistry","2015","80","5","2724","2732","10.1021/jo502901h","","","0.71073","MoKα","","0.0817","0.0433","","","0.0793","0.0921","","","","","","1.006","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030673","8.7186","0.001","9.7432","0.0011","9.7497","0.0015","110.309","0.009","99.085","0.01","112.934","0.009","672.86","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 F N -","- C18 H16 F N -","- C36 H32 F2 N2 -","2","1","","Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe","From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction.","The Journal of organic chemistry","2015","80","4","2319","2332","10.1021/jo502882y","","","0.71073","MoKα","","0.0434","0.0356","","","0.0998","0.1027","","","","","","1.101","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030674","9.2639","0.0017","9.809","0.002","10.047","0.002","102.428","0.015","108.884","0.014","114.342","0.014","719.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Br N -","- C18 H16 Br N -","- C36 H32 Br2 N2 -","2","1","","Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe","From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction.","The Journal of organic chemistry","2015","80","4","2319","2332","10.1021/jo502882y","","","0.71073","MoKα","","0.0897","0.0581","","","0.136","0.1457","","","","","","1.009","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030675","9.666","0.003","9.8149","0.0018","15.315","0.003","90","","95.091","0.019","90","","1447.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N -","- C18 H16 Br N -","- C72 H64 Br4 N4 -","4","1","","Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe","From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction.","The Journal of organic chemistry","2015","80","4","2319","2332","10.1021/jo502882y","","","0.71073","MoKα","","0.0626","0.0528","","","0.1343","0.1378","","","","","","1.016","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030683","6.0225","0.0004","13.2389","0.0011","14.6415","0.0014","67.651","0.008","82.712","0.007","84.717","0.006","1069.75","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Br3 Cl3 O6 -","- C17 H14 Br3 Cl3 O6 -","- C34 H28 Br6 Cl6 O12 -","2","1","","Meng, Fan-Yi; Huang, Shou-Ling; Liu, Yi-Hung; Hu, Ziqiang; Lai, Guoqiao; Luh, Tien-Yau","Stereoselective Formation of Eight-Membered Rings by Radical Cyclization of Silylenedioxy-Tethered Bis-methacrylate Derivatives.","The Journal of organic chemistry","2015","80","5","2869","2873","10.1021/jo502947k","","","1.54178","CuKα","","0.0604","0.0487","","","0.1257","0.1347","","","","","","0.992","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030688","8.7841","0.0005","9.9078","0.0005","27.3053","0.0014","90","","90","","90","","2376.4","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O6 S -","- C21 H31 N O6 S -","- C84 H124 N4 O24 S4 -","4","1","","Wang, Huijing; Tang, Pei; Zhou, Qilong; Zhang, Dan; Chen, Zhitao; Huang, Hongxiu; Qin, Yong","One-pot synthesis of multisubstituted butyrolactonimidates: total synthesis of (-)-nephrosteranic Acid.","The Journal of organic chemistry","2015","80","5","2494","2502","10.1021/jo5029166","","","0.71073","MoKα","","0.1064","0.0608","","","0.1204","0.143","","","","","","1.015","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030689","4.01959","0.00008","13.20565","0.00016","27.5746","0.0004","90","","90","","90","","1463.7","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Piotrowicz, Michał; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof","Aerobic Palladium(II)-Catalyzed Dehydrogenative Heck Reaction in the Synthesis of Pyrenyl Fluorophores. A Photophysical Study of β-Pyrenyl Acrylates in Solution and in the Solid State.","The Journal of organic chemistry","2015","80","5","2573","2581","10.1021/jo502619k","","x-ray","1.54184","CuKα","","0.0307","0.03","","","0.0812","0.0821","","","","","","1.054","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030690","19.0777","0.0003","6.19859","0.0001","19.4124","0.0003","90","","94.8297","0.0015","90","","2287.46","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 O2 -","- C29 H32 O2 -","- C116 H128 O8 -","4","1","","Piotrowicz, Michał; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof","Aerobic Palladium(II)-Catalyzed Dehydrogenative Heck Reaction in the Synthesis of Pyrenyl Fluorophores. A Photophysical Study of β-Pyrenyl Acrylates in Solution and in the Solid State.","The Journal of organic chemistry","2015","80","5","2573","2581","10.1021/jo502619k","","x-ray","1.54184","CuKα","","0.0543","0.0471","","","0.1272","0.1366","","","","","","1.029","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030691","10.986","0.0009","11.1385","0.0009","14.9183","0.0012","110.909","0.003","105.303","0.003","98.68","0.003","1582.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H13 Br F3 N O2 S -","- C15 H13 Br F3 N O2 S -","- C60 H52 Br4 F12 N4 O8 S4 -","4","2","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0883","0.0735","","","0.1989","0.2046","","","","","","1.182","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030692","6.805","0.002","8.529","0.003","15.363","0.005","74.591","0.007","89.569","0.008","87.535","0.007","858.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Br F3 N O2 S -","- C16 H15 Br F3 N O2 S -","- C32 H30 Br2 F6 N2 O4 S2 -","2","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0672","0.0584","","","0.1577","0.164","","","","","","1.06","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030693","15.2115","0.0011","7.396","0.0005","12.4873","0.0009","90","","91.302","0.002","90","","1404.51","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F3 N O2 S -","- C15 H12 F3 N O2 S -","- C60 H48 F12 N4 O8 S4 -","4","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0388","0.0362","","","0.0927","0.0948","","","","","","1.036","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030694","6.9579","0.0004","10.516","0.0006","10.5474","0.0006","65.766","0.002","80.838","0.002","77.224","0.002","684.28","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H13 Br F3 N O2 S -","- C12 H13 Br F3 N O2 S -","- C24 H26 Br2 F6 N2 O4 S2 -","2","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0235","0.0221","","","0.058","0.0587","","","","","","1.069","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030695","8.112","0.003","10.284","0.004","11.166","0.004","82.569","0.006","72.55","0.006","70.601","0.006","837.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Br F3 N O3 S -","- C16 H15 Br F3 N O3 S -","- C32 H30 Br2 F6 N2 O6 S2 -","2","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.026","0.0246","","","0.0653","0.066","","","","","","1.072","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030696","5.9416","0.0005","20.512","0.0016","12.1325","0.0009","90","","97.383","0.002","90","","1466.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br F3 N O4 S -","- C12 H13 Br F3 N O4 S -","- C48 H52 Br4 F12 N4 O16 S4 -","4","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0403","0.0327","","","0.0716","0.074","","","","","","1.108","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030697","5.7035","0.0002","7.8753","0.0003","45.6289","0.0015","90","","90","","90","","2049.5","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl O3 S -","- C22 H23 Cl O3 S -","- C88 H92 Cl4 O12 S4 -","4","1","","Borah, Madhurjya; Gogoi, Paramartha; Indukuri, Kiran; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Tetrahydrothiophenes and -thiopyrans via Thia-Prins Cyclization Reaction.","The Journal of organic chemistry","2015","80","5","2641","2648","10.1021/jo502831w","","","0.71073","MoKα","","0.0491","0.0422","","","0.0948","0.1028","","","","","","1.101","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030707","9.167","0.006","20.155","0.014","10.011","0.007","90","","105.418","0.016","90","","1783","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","1","","Hu, Huayou; Tian, Jiaxin; Liu, Yun; Liu, Yong; Shi, Fei; Wang, Xiang; Kan, Yuhe; Wang, Chao","Aza-Wacker-Type Reaction between Electron-Deficient Olefins and N-Alkylsulfonamides.","The Journal of organic chemistry","2015","80","5","2842","2847","10.1021/jo502823m","","","0.71073","MoKα","","0.1175","0.0497","","","0.0974","0.1125","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030708","12.3418","0.0014","12.5826","0.0014","9.6895","0.0012","90","","106.033","0.002","90","","1446.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-tosyl-2,3,5,6,7,7a-hexahydro-1H-indole","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C60 H76 N4 O8 S4 -","4","1","","Hu, Huayou; Tian, Jiaxin; Liu, Yun; Liu, Yong; Shi, Fei; Wang, Xiang; Kan, Yuhe; Wang, Chao","Aza-Wacker-Type Reaction between Electron-Deficient Olefins and N-Alkylsulfonamides.","The Journal of organic chemistry","2015","80","5","2842","2847","10.1021/jo502823m","","","0.71073","MoKα","","0.0578","0.0402","","","0.0881","0.0974","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030725","8.077","0.0005","10.5732","0.0008","26.8277","0.0018","90","","90","","90","","2291.1","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","","Ha, Min Woo; Lee, Myungmo; Choi, Sujee; Kim, Seek; Hong, Suckchang; Park, Yohan; Kim, Mi-Hyun; Kim, Taek-Soo; Lee, Jihoon; Lee, Jae Kyun; Park, Hyeung-Geun","Construction of Chiral α-Amino Quaternary Stereogenic Centers via Phase-Transfer Catalyzed Enantioselective α-Alkylation of α-Amidomalonates.","The Journal of organic chemistry","2015","80","6","3270","3279","10.1021/jo502791d","","","0.71075","MoKα","","","0.0447","","","","0.1297","","","","","","1.032","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030726","8.3004","0.0004","21.1079","0.0009","14.7263","0.0006","90","","90.917","0.003","90","","2579.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","4","","Wang, Weiguo; Peng, Xianglong; Qin, Xiaoyu; Zhao, Xiangyun; Ma, Chen; Tung, Chen-Ho; Xu, Zhenghu","Synthesis of Quinolinones with Palladium-Catalyzed Oxidative Annulation between Acrylamides and Arynes.","The Journal of organic chemistry","2015","80","5","2835","2841","10.1021/jo5027673","","","1.54184","CuKα","","0.1285","0.0976","","","0.2486","0.2936","","","","","","1.062","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030727","8.9484","0.0019","10.234","0.002","11.213","0.002","116.439","0.002","93.526","0.003","110.517","0.002","831.7","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N3 O4 -","- C16 H16 Cl N3 O4 -","- C32 H32 Cl2 N6 O8 -","2","1","","Valiulin, Roman A.; Mamidyala, Sreeman; Finn, M. G.","Taming chlorine azide: access to 1,2-azidochlorides from alkenes.","The Journal of organic chemistry","2015","80","5","2740","2755","10.1021/acs.joc.5b00009","","","0.71073","MoKα","","0.1047","0.0618","","","0.1429","0.1714","","","","","","1.048","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030737","34.465","0.005","16.955","0.002","15.653","0.002","90","","103.019","0.002","90","","8912","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 B Br N -","- C24 H31 B Br N -","- C384 H496 B16 Br16 N16 -","16","4","","Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming","Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond.","The Journal of organic chemistry","2015","80","8","3737","3744","10.1021/jo5029437","","","0.71073","MoKα","","0.0721","0.0551","","","0.1357","0.1449","","","","","","1.061","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030738","12.188","0.003","12.09","0.003","16.69","0.004","90","","95.644","0.005","90","","2447.4","1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 B N -","- C30 H36 B N -","- C120 H144 B4 N4 -","4","1","","Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming","Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond.","The Journal of organic chemistry","2015","80","8","3737","3744","10.1021/jo5029437","","","0.71073","MoKα","","0.0525","0.0381","","","0.0953","0.1001","","","","","","0.985","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030739","10.199","0.002","10.769","0.002","12.368","0.003","98.32","0.03","106.48","0.03","111.72","0.03","1161.6","0.6","293.1","","293.1","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 B N O -","- C28 H28 B N O -","- C56 H56 B2 N2 O2 -","2","1","","Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming","Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond.","The Journal of organic chemistry","2015","80","8","3737","3744","10.1021/jo5029437","","","0.71073","MoKα","","0.1558","0.0768","","","0.1571","0.1895","","","","","","1.022","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030748","13.839","0.006","11.892","0.005","7.497","0.003","90","","99.943","0.007","90","","1215.3","0.9","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F3 N O2 S2 -","- C11 H8 F3 N O2 S2 -","- C44 H32 F12 N4 O8 S8 -","4","1","","Shao, Xinxin; Xu, Chunfa; Lu, Long; Shen, Qilong","Structure-reactivity relationship of trifluoromethanesulfenates: discovery of an electrophilic trifluoromethylthiolating reagent.","The Journal of organic chemistry","2015","80","6","3012","3021","10.1021/jo502645m","","","0.71073","MoKα","","0.1069","0.0522","","","0.1197","0.1439","","","","","","0.926","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030749","9.5333","0.0007","11.1732","0.0008","17.3909","0.0012","90","","90","","90","","1852.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 F N O4 -","- C22 H18 F N O4 -","- C88 H72 F4 N4 O16 -","4","1","","Que, Yonglei; Li, Tuanjie; Yu, Chenxia; Wang, Xiang-Shan; Yao, Changsheng","Enantioselective Assembly of Spirocyclic Oxindole-dihydropyranones through NHC-Catalyzed Cascade Reaction of Isatins with N-Hydroxybenzotriazole Esters of α,β-Unsaturated Carboxylic Acid.","The Journal of organic chemistry","2015","80","6","3289","3294","10.1021/jo502920w","","","1.54178","CuKα","","0.055","0.0443","","","0.1007","0.1097","","","","","","1.017","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030750","8.339","0.0002","17.6239","0.0005","20.3855","0.0005","90","","90","","90","","2995.97","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H51 N3 O6 -","- C33 H51 N3 O6 -","- C132 H204 N12 O24 -","4","1","","Peng, Lingling; Mo, Fanyang; Zhang, Qinghai","Cholate-based synthesis of size-tunable cage compounds.","The Journal of organic chemistry","2015","80","2","1221","1228","10.1021/jo5023734","","","1.54178","CuKα","","0.0343","0.0338","","","0.0883","0.0888","","","","","","1.05","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030751","10.873","0.003","11.858","0.003","20.376","0.005","90","","138.198","0.01","90","","1751.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Regio- and Stereoselective Pd-Catalyzed Direct Arylation of Unactivated sp(3) C(3)-H Bonds of Tetrahydrofuran and 1,4-Benzodioxane Systems.","The Journal of organic chemistry","2015","80","4","2339","2355","10.1021/acs.joc.5b00025","","","0.71073","MoKα","","0.1135","0.0511","","","0.1183","0.1519","","","","","","0.896","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030752","13.196","0.002","8.3712","0.0014","16.808","0.003","90","","99.083","0.002","90","","1833.4","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O3 S -","- C22 H16 N2 O3 S -","- C88 H64 N8 O12 S4 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Regio- and Stereoselective Pd-Catalyzed Direct Arylation of Unactivated sp(3) C(3)-H Bonds of Tetrahydrofuran and 1,4-Benzodioxane Systems.","The Journal of organic chemistry","2015","80","4","2339","2355","10.1021/acs.joc.5b00025","","","0.71073","MoKα","","0.0993","0.0813","","","0.2587","0.2827","","","","","","1.069","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030753","13.9526","0.0006","5.4114","0.0002","16.5276","0.0006","90","","92.316","0.003","90","","1246.87","0.08","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 O -","- C12 H12 Br2 O -","- C48 H48 Br8 O4 -","4","1","","Lin, Mei-Huey; Li, Yi-Syuan; Kuo, Chung-Kai; Chen, Chung-Hao; Huang, Yen-Chih; Liang, Kung-Yu; Chen, Yu-Chun; Tsai, Chang-Hsien; Chuang, Tsung-Hsun","Synthesis of Hexahydro-1H-isoindole Derivatives from Arylacyl Bromides via Homoallenic Bromohydrins.","The Journal of organic chemistry","2015","80","4","2462","2466","10.1021/acs.joc.5b00072","","","0.71073","MoKα","","0.0728","0.0372","","","0.0852","0.0967","","","","","","1.012","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030754","10.2831","0.0011","21.4073","0.0019","25.129","0.002","90","","90","","90","","5531.7","0.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C288 H192 N32 O32 -","16","2","","Odani, Riko; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Copper-mediated formally dehydrative biaryl coupling of azine N-oxides and oxazoles.","The Journal of organic chemistry","2015","80","4","2384","2391","10.1021/acs.joc.5b00037","","","0.71075","MoKα","","","0.0856","","","","0.2145","","","","","","1.133","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030755","10.0009","0.0003","11.547","0.0003","13.2679","0.0004","89.9142","0.0016","70.0107","0.0013","72.5011","0.0013","1364.45","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 O4 S -","- C34 H30 O4 S -","- C68 H60 O8 S2 -","2","1","","Takeda, Takashi; Akutagawa, Tomoyuki","Preparation, Structure, and Redox Behavior of Bis(diarylmethylene)dihydrothiophene and Its π-Extended Analogues.","The Journal of organic chemistry","2015","80","4","2455","2461","10.1021/acs.joc.5b00021","","","1.54187","CuKα","","","0.0638","","","","0.1673","","","","","","0.92","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030756","9.3644","0.0019","11.804","0.003","11.909","0.003","65.119","0.011","89.81","0.012","89.633","0.011","1194.2","0.5","","","100.02","","","","","","","","","5","P 1","P 1","1","","","","- C12 H15 Br N2 O -","- C12 H15 Br N2 O -","- C48 H60 Br4 N8 O4 -","4","4","","Fandrick, Keith R.; Mulder, Jason A.; Patel, Nitinchandra D.; Gao, Joe; Konrad, Michael; Archer, Elizabeth; Buono, Frederic G.; Duran, Adil; Schmid, Rolf; Daeubler, Juergen; Desrosiers, Jean-Nicolas; Zeng, Xingzhong; Rodriguez, Sonia; Ma, Shengli; Qu, Bo; Li, Zhibin; Fandrick, Daniel R.; Grinberg, Nelu; Lee, Heewon; Bosanac, Todd; Takahashi, Hidenori; Chen, Zhidong; Bartolozzi, Alessandra; Nemoto, Peter; Busacca, Carl A.; Song, Jinhua J.; Yee, Nathan K.; Mahaney, Paige E.; Senanayake, Chris H.","Development of an Asymmetric Synthesis of a Chiral Quaternary FLAP Inhibitor.","The Journal of organic chemistry","2015","80","3","1651","1660","10.1021/jo502550h","","","1.54178","CuKα","","0.0549","0.051","","","0.1356","0.1477","","","","","","1.0878","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030763","18.6833","0.0009","10.3132","0.0005","27.1247","0.0014","90","","94.236","0.003","90","","5212.2","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H13 Cl F12 O2 Si -","- C26 H12 F12 O2 Si -","- C208 H96 F96 O16 Si8 -","8","1","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","0.71073","MoKα","","0.0448","0.0383","","","0.1005","0.1041","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030764","9.3373","0.0002","20.6773","0.0004","12.0406","0.0003","90","","109.931","0.001","90","","2185.44","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F12 O2 Si -","- C20 H12 F12 O2 Si -","- C80 H48 F48 O8 Si4 -","4","1","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","1.54178","CuKα","","0.0347","0.0325","","","0.0894","0.0918","","","","","","1.024","","","","has coordinates,has disorder","178486","2020-10-21","18:00:00",""
"4030765","7.4888","0.0002","20.7278","0.0005","13.801","0.0003","90","","90.005","0.001","90","","2142.28","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F12 O2 Si -","- C20 H12 F12 O2 Si -","- C80 H48 F48 O8 Si4 -","4","1","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","1.54178","CuKα","","0.0409","0.0393","","","0.1039","0.1055","","","","","","1.038","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030766","9.7682","0.0002","12.0747","0.0002","12.4636","0.0003","76.595","0.001","87.118","0.001","78.923","0.001","1403.34","0.05","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 F26 Na2 O12 Si2 -","- C46 H40 F26 Na2 O12 Si2 -","- C46 H40 F26 Na2 O12 Si2 -","1","0.5","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","0.71073","MoKα","","0.0403","0.0341","","","0.1047","0.1183","","","","","","1.06","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4030767","7.6917","0.0009","11.1008","0.0016","14.3086","0.0019","90","","90","","90","","1221.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Silva, Saúl; Rodrigues, Paula; Bento, Isabel; Maycock, Christopher D.","The aza-wharton reaction: syntheses of cyclic allylic amines and vicinal hydroxyamines from the respective acylaziridines.","The Journal of organic chemistry","2015","80","6","3067","3074","10.1021/jo5029387","","","0.71073","MoKα","","0.0581","0.0437","","","0.0959","0.1035","","","","","","1.024","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030768","8.1102","0.0014","5.2791","0.0009","13.309","0.002","90","","105.678","0.003","90","","548.62","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O -","- C13 H15 N O -","- C26 H30 N2 O2 -","2","1","","Silva, Saúl; Rodrigues, Paula; Bento, Isabel; Maycock, Christopher D.","The aza-wharton reaction: syntheses of cyclic allylic amines and vicinal hydroxyamines from the respective acylaziridines.","The Journal of organic chemistry","2015","80","6","3067","3074","10.1021/jo5029387","","","0.71073","MoKα","","0.0448","0.0385","","","0.0976","0.1017","","","","","","1.026","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030769","10.6143","0.0001","29.5816","0.0004","13.6374","0.0002","90","","98.3194","0.0007","90","","4236.92","0.09","173","","173","2","","","","","","","Local laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H76 O3 P2 Pd -","- C40 H76 O3 P2 Pd -","- C160 H304 O12 P8 Pd4 -","4","1","","Mutule, Ilga; Joo, Beomjun; Medne, Zane; Kalnins, Toms; Vedejs, Edwin; Suna, Edgars","Stereoselective synthesis of the diazonamide a macrocyclic core.","The Journal of organic chemistry","2015","80","6","3058","3066","10.1021/jo5029419","","","0.71073","MoKα","","0.097","0.064","","0.281","0.194","0.148","","","1.389","1.582","1.582","1.528","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030770","8.5221","0.0006","8.5221","0.0006","57.101","0.008","90","","90","","120","","3591.4","0.6","150","2","150","2","","","","","","","","5","P 61","P 61","169","","","","- C27 H22 Br N O6 -","- C27 H22 Br N O6 -","- C162 H132 Br6 N6 O36 -","6","1","","Peris, Gorka; Vedejs, Edwin","Enantiocontrolled synthesis of a tetracyclic aminal corresponding to the core subunit of diazonamide a.","The Journal of organic chemistry","2015","80","6","3050","3057","10.1021/jo502939a","","","0.71073","MoKα","","0.046","0.0345","","","0.072","0.0757","","","","","","1.049","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030771","25.7647","0.0019","7.9823","0.0005","15.4643","0.001","90","","117.091","0.004","90","","2831.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 F3 N4 O2 -","- C15 H9 F3 N4 O2 -","- C120 H72 F24 N32 O16 -","8","1","","Yamajala, K. Durga Bhaskar; Patil, Mahendra; Banerjee, Shaibal","Pd-catalyzed regioselective arylation on the C-5 position of N-aryl 1,2,3-triazoles.","The Journal of organic chemistry","2015","80","6","3003","3011","10.1021/jo5026145","","","0.71073","MoKα","","0.069","0.0449","","","0.1328","0.152","","","","","","1.076","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030777","10.7344","0.0008","15.1368","0.0011","12.8068","0.001","90","","102.089","0.005","90","","2034.8","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br2 O3 S -","- C20 H20 Br2 O3 S -","- C80 H80 Br8 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0897","0.0404","","","0.0883","0.1061","","","","","","0.993","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030778","10.7739","0.0006","12.4913","0.0008","13.7969","0.0008","90","","105.516","0.003","90","","1789.12","0.19","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Br O2 S -","- C20 H17 Br O2 S -","- C80 H68 Br4 O8 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0543","0.0376","","","0.097","0.105","","","","","","1.056","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030779","11.8651","0.0008","17.8961","0.0012","8.7169","0.0005","90","","103.874","0.003","90","","1796.9","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl2 O2 S -","- C19 H16 Cl2 O2 S -","- C76 H64 Cl8 O8 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0534","0.04","","","0.101","0.112","","","","","","1.023","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030780","11.1799","0.0015","11.3455","0.0014","14.897","0.002","90","","90","","90","","1889.6","0.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0367","0.0286","","","0.0626","0.0785","","","","","","1.175","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030781","11.6199","0.0011","18.4852","0.0015","10.268","0.001","90","","102.098","0.005","90","","2156.5","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.1094","0.0499","","","0.1375","0.1692","","","","","","0.952","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030782","11.1601","0.0007","11.3394","0.0007","14.8359","0.001","90","","90","","90","","1877.5","0.2","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0473","0.0389","","","0.084","0.0876","","","","","","1.029","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030783","25.0058","0.0012","13.0551","0.0006","12.6318","0.0005","90","","90","","90","","4123.7","0.3","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C168 H168 Br8 O24 S8 -","8","2","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.1661","0.0452","","","0.0652","0.0867","","","","","","0.934","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030784","7.9027","0.0006","8.5524","0.0007","28.369","0.002","90","","96.068","0.005","90","","1906.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br O3 S -","- C20 H21 Br O3 S -","- C80 H84 Br4 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0899","0.0585","","","0.1217","0.1318","","","","","","1.077","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030799","27.793","0.002","9.7527","0.0004","27.915","0.002","90","","120.11","0.01","90","","6545.5","1","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H46 N6 O4 -","- C32 H46 N6 O4 -","- C256 H368 N48 O32 -","8","2","","Moussodia, Ralph-Olivier; Acherar, Samir; Romero, Eugénie; Didierjean, Claude; Jamart-Grégoire, Brigitte","Evidence of Nanotubular Self-Organization in Solution and Solid States of Heterochiral Cyclo 1:1 [α/α-N(α)-Bn-hydrazino]mers Series.","The Journal of organic chemistry","2015","80","6","3022","3029","10.1021/jo502684g","","x-ray","0.71073","MoKα","","0.1338","0.1132","","","0.2899","0.3126","","","","","","1.31","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030825","11.6028","0.0002","13.7155","0.0002","15.4868","0.0003","74.898","0.001","72.606","0.001","70.883","0.001","2185.69","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H57 N O12 -","- C49 H57 N O12 -","- C98 H114 N2 O24 -","2","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.0392","0.0385","","","0.0997","0.1006","","","","","","1.016","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030826","8.7786","0.0003","13.1685","0.0004","23.0265","0.0007","78.201","0.002","88.483","0.002","81.806","0.002","2579.03","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.0731","0.0525","","","0.1415","0.1594","","","","","","1.036","","","","has coordinates,has disorder","178487","2020-10-21","18:00:00",""
"4030827","8.5228","0.0002","33.0695","0.0008","11.6141","0.0003","90","","108.023","0.003","90","","3112.76","0.14","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.5418","CuKα","","0.0864","0.079","","","0.1994","0.2032","","","","","","1.164","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030828","15.068","0.0004","23.3472","0.0006","24.7931","0.0006","90","","90","","90","","8722.1","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C92.54 H120.54 Cl1.63 O16 -","- C92.543 H120.543 Cl1.629 O16 -","- C370.172 H482.172 Cl6.516 O64 -","4","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.1139","0.1021","","","0.2677","0.2767","","","","","","1.03","","","","has coordinates,has disorder","178487","2020-10-21","18:00:00",""
"4030829","8.7216","0.0001","22.4584","0.0004","15.5439","0.0003","90","","100.141","0.001","90","","2997.07","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.0362","0.0359","","","0.0873","0.0876","","","","","","1.076","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030830","25.712","0.005","23.741","0.005","16.888","0.003","90","","90","0.03","90","","10309","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 O8 -","- C56 H76 O8 -","- C448 H608 O64 -","8","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.1268","0.1173","","","0.3285","0.3341","","","","","","1.09","","","","has coordinates,has disorder","178487","2020-10-21","18:00:00",""
"4030837","20.529","0.018","6.669","0.006","12.889","0.011","90","","95.761","0.013","90","","1756","3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H23 N O5 S -","- C15 H23 N O5 S -","- C60 H92 N4 O20 S4 -","4","1","","Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor","Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.","The Journal of organic chemistry","2015","80","7","3368","","10.1021/jo502561m","","","0.71073","MoKα","","0.1072","0.0407","","","0.0661","0.0744","","","","","","0.778","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030838","6.485","0.0012","11.608","0.002","35.604","0.007","90","","92.732","0.004","90","","2677.1","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H38 O4 S Si -","- C25 H38 O4 S Si -","- C100 H152 O16 S4 Si4 -","4","2","","Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor","Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.","The Journal of organic chemistry","2015","80","7","3368","","10.1021/jo502561m","","","0.71073","MoKα","","0.4334","0.0868","","","0.1273","0.1846","","","","","","0.67","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030839","7.857","0.0016","11.876","0.003","13.396","0.003","70.095","0.004","77.111","0.004","79.851","0.004","1138.8","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H33 N O2 S Si -","- C19 H33 N O2 S Si -","- C38 H66 N2 O4 S2 Si2 -","2","2","","Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor","Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.","The Journal of organic chemistry","2015","80","7","3368","","10.1021/jo502561m","","","0.71073","MoKα","","0.1223","0.0437","","","0.0791","0.092","","","","","","0.744","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030848","6.071","0.003","18.734","0.007","7.024","0.003","90","","98.101","0.014","90","","790.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; McRoberts, Colin; Floyd, Stewart; Allen, Christopher C. R.; Gohil, Amit; Coles, Simon J.; Horton, Peter N.; Stevenson, Paul J.","Toluene Dioxygenase-Catalyzed Synthesis and Reactions of cis-Diol Metabolites Derived from 2- and 3-Methoxyphenols.","The Journal of organic chemistry","2015","80","7","3429","","10.1021/jo5028968","","","1.54178","CuKα","","0.0357","0.0348","","","0.0951","0.0956","","","","","","1.081","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030849","6.6036","0.0008","19.939","0.003","6.6798","0.0008","90","","110.291","0.009","90","","824.94","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; McRoberts, Colin; Floyd, Stewart; Allen, Christopher C. R.; Gohil, Amit; Coles, Simon J.; Horton, Peter N.; Stevenson, Paul J.","Toluene Dioxygenase-Catalyzed Synthesis and Reactions of cis-Diol Metabolites Derived from 2- and 3-Methoxyphenols.","The Journal of organic chemistry","2015","80","7","3429","","10.1021/jo5028968","","","0.71073","MoKα","","0.0326","0.0293","","","0.0768","0.0791","","","","","","1.056","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030877","5.83","0.005","8.288","0.008","16.725","0.016","90","","92.845","0.009","90","","807.1","1.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C36 H30 Br2 O6 -","2","1","","Wei, Ai-Jia; Nie, Jing; Zheng, Yan; Ma, Jun-An","Ni-Catalyzed Highly Chemo-, Regio-, and Enantioselective Decarboxylative Aldol Reaction of β,γ-Unsaturated α-Ketoesters with β-Ketoacids.","The Journal of organic chemistry","2015","80","8","3766","3776","10.1021/jo502741z","","","0.71073","MoKα","","0.0683","0.0442","","","0.0989","0.108","","","","","","0.846","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030891","5.082","0.012","9.83","0.02","18","0.04","90","","94.98","0.05","90","","896","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C40 H36 Br2 N2 O4 -","2","1","","Huang, You-Ming; Zheng, Chang-Wu; Zhao, Gang","Asymmetric Robinson-Type Annulation Reaction between β-Ketoamides and α,β-Unsaturated Ketones.","The Journal of organic chemistry","2015","80","8","3798","3805","10.1021/jo502904n","","","0.71073","MoKα","","0.1139","0.0839","","","0.2333","0.2551","","","","","","1.1","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030892","3.882","0.005","12.069","0.014","12.451","0.016","106.586","0.014","94.219","0.019","90.27","0.02","557.4","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O -","- C15 H11 N O -","- C30 H22 N2 O2 -","2","1","","Mayo, Muhammad Shareef; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","Isoquinolone Synthesis through SNAr Reaction of 2-Halobenzonitriles with Ketones Followed by Cyclization.","The Journal of organic chemistry","2015","80","8","3998","4002","10.1021/acs.joc.5b00357","","","0.71073","MoKα","","0.1549","0.1247","","","0.3586","0.3851","","","","","","1.063","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030917","10.3476","0.0016","21.312","0.003","9.2867","0.0015","90","","90","","90","","2048","0.5","130","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C112 H80 N8 O4 -","4","1","","Qi, Zisong; Yu, Songjie; Li, Xingwei","Rh(III)-Catalyzed Oxidative Annulation of 2-Phenylimidazo[1,2-a]pyridines with Alkynes: Mono versus Double C-H Activation.","The Journal of organic chemistry","2015","80","7","3471","","10.1021/acs.joc.5b00059","","","0.71073","MoKα","","0.1068","0.0543","","","0.0922","0.1097","","","","","","0.973","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030918","8.72","0.003","23.945","0.008","8.704","0.003","90","","112.823","0.005","90","","1675.1","1","252","","252","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N3 O4 -","- C16 H16 Cl N3 O4 -","- C64 H64 Cl4 N12 O16 -","4","1","","Valiulin, Roman A.; Mamidyala, Sreeman; Finn, M. G.","Taming chlorine azide: access to 1,2-azidochlorides from alkenes.","The Journal of organic chemistry","2015","80","5","2740","2755","10.1021/acs.joc.5b00009","","","0.71073","MoKα","","0.0868","0.078","","","0.2064","0.2117","","","","","","1.152","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030927","8.9655","0.0006","6.4598","0.0004","12.7951","0.0008","90","","102.099","0.003","90","","724.57","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O7 -","- C14 H18 O7 -","- C28 H36 O14 -","2","1","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0331","0.0329","","","0.0888","0.089","","","","","","1.067","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030928","10.5288","0.0003","11.2256","0.0003","14.5218","0.0003","87.88","0.002","68.77","0.002","76.367","0.002","1552.59","0.07","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H20 O7 -","- C15 H20 O7 -","- C60 H80 O28 -","4","4","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0862","0.0777","","","0.2228","0.2377","","","","","","1.05","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030929","9.5965","0.0009","10.3616","0.0009","22.821","0.002","90","","90","","90","","2269.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 O6 S -","- C26 H22 O6 S -","- C104 H88 O24 S4 -","4","1","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0278","0.0258","","","0.0639","0.0657","","","","","","1.05","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030933","18.2934","0.0018","8.0986","0.0008","15.5225","0.0015","90","","108.665","0.002","90","","2178.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N O2 P -","- C26 H28 N O2 P -","- C104 H112 N4 O8 P4 -","4","1","","Han, Lei; Lei, Yang; Xing, Ping; Zhao, Xiao-Long; Jiang, Biao","[2.2]paracyclophane-derived monodentate phosphoramidite ligands for copper-catalyzed asymmetric conjugate addition of diethylzinc to substituted chalcones.","The Journal of organic chemistry","2015","80","8","3752","3757","10.1021/jo502715f","","","0.71073","MoKα","","0.0774","0.0524","","","0.1377","0.1496","","","","","","1.017","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030942","5.5812","0.0007","47.12","0.006","9.2435","0.0011","90","","103.343","0.003","90","","2365.3","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 O S -","- C31 H22 O S -","- C124 H88 O4 S4 -","4","2","","Rananaware, Anushri; Bhosale, Rajesh S.; Ohkubo, Kei; Patil, Hemlata; Jones, Lathe A.; Jackson, Sam L.; Fukuzumi, Shunichi; Bhosale, Sidhanath V.; Bhosale, Sheshanath V.","Tetraphenylethene-Based Star Shaped Porphyrins: Synthesis, Self-assembly, and Optical and Photophysical Study.","The Journal of organic chemistry","2015","80","8","3832","3840","10.1021/jo502760e","","","0.71073","MoKα","","0.0972","0.0659","","","0.1531","0.1684","","","","","","1.028","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030943","11.6944","0.0018","10.2243","0.0016","16.901","0.003","90","","96.579","0.004","90","","2007.5","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 N2 O8 -","- C48 H36 N2 O8 -","- C96 H72 N4 O16 -","2","0.5","","Chowdhury, Aniket; Mukherjee, Partha Sarathi","Electron-rich triphenylamine-based sensors for picric Acid detection.","The Journal of organic chemistry","2015","80","8","4064","4075","10.1021/acs.joc.5b00348","","","0.71073","MoKα","","0.081","0.0483","","","0.1282","0.1419","","","","","","1.06","","","","has coordinates","259535","2020-12-04","06:05:00",""
"4030953","9.517","0.003","21.237","0.008","11.104","0.004","90","","104.868","0.009","90","","2169.1","1.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 O4 -","- C29 H18 O4 -","- C116 H72 O16 -","4","1","","Shirke, Rajendra P.; Ramasastry, S. S. V.","Modular assembly of furotropones and benzofurotropones, and study of their physicochemical properties.","The Journal of organic chemistry","2015","80","10","4893","4903","10.1021/acs.joc.5b00226","","","0.71073","MoKα","","0.1766","0.0632","","","0.1323","0.1823","","","","","","0.914","","","","has coordinates","138270","2020-10-21","18:00:00",""
"4030954","12.68993","0.00011","9.69273","0.00008","15.41784","0.00012","90","","100.547","0.0008","90","","1864.35","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O3 Si -","- C20 H20 N2 O3 Si -","- C80 H80 N8 O12 Si4 -","4","1","","Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.","Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.","The Journal of organic chemistry","2015","80","9","4545","4552","10.1021/acs.joc.5b00398","","","1.54184","CuKα","","0.0325","0.0316","","","0.0801","0.0809","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030955","6.6005","0.0003","10.33","0.0003","15.2977","0.0005","96.372","0.003","95.057","0.003","98.899","0.003","1018.22","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O4 Si -","- C21 H22 N2 O4 Si -","- C42 H44 N4 O8 Si2 -","2","1","","Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.","Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.","The Journal of organic chemistry","2015","80","9","4545","4552","10.1021/acs.joc.5b00398","","","1.54184","CuKα","","0.0524","0.0444","","","0.1026","0.1061","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030956","10.7185","0.001","16.4457","0.0017","21.179","0.002","90","","90","","90","","3733.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O4 Si -","- C19 H20 N2 O4 Si -","- C152 H160 N16 O32 Si8 -","8","1","","Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.","Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.","The Journal of organic chemistry","2015","80","9","4545","4552","10.1021/acs.joc.5b00398","","","0.7107","MoKα","","0.0575","0.0419","","","0.0899","0.0961","","","","","","1.032","","","","has coordinates","138282","2020-10-21","18:00:00",""
"4030957","6.286","0.0012","7.3672","0.0015","28.272","0.006","90","","92.047","0.013","90","","1308.4","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 Br2 O6 -","- C29 H28 Br2 O6 -","- C58 H56 Br4 O12 -","2","1","","Wang, Bian-Lin; Gao, Hai-Tao; Li, Wei-Dong Z","Total synthesis of (+)-iresin.","The Journal of organic chemistry","2015","80","10","5296","5301","10.1021/acs.joc.5b00365","","","0.71075","MoKα","","0.074","0.053","","","0.1339","0.1477","","","","","","0.84","","","","has coordinates","138271","2020-10-21","18:00:00",""
"4030958","7.2875","0.0003","10.6142","0.0004","14.7414","0.0006","90","","91.936","0.004","90","","1139.61","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C50 H54 N2 O6 S2 -","2","1","","Deka, Manash J.; Indukuri, Kiran; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Synthesis of Five-, Six-, and Seven-Membered 1,3- and 1,4-Heterocyclic Compounds via Intramolecular Hydroalkoxylation/Hydrothioalkoxylation of Alkenols/Thioalkenols.","The Journal of organic chemistry","2015","80","9","4349","4359","10.1021/acs.joc.5b00049","","","0.71073","MoKα","","0.0463","0.0386","","","0.0807","0.0851","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030959","11.7891","0.0001","17.3916","0.0002","17.8781","0.0003","74.6642","0.0006","74.5511","0.0006","87.2285","0.0008","3406.36","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Br2 Cl6 O8 -","- C48 H32 Br2 Cl6 O8 -","- C144 H96 Br6 Cl18 O24 -","3","1.5","","Ota, Motohiro; Sasamori, Takahiro; Tokitoh, Norihiro; Onodera, Takefumi; Mizushina, Yoshiyuki; Kuramochi, Kouji; Tsubaki, Kazunori","Synthesis, Photochemical Properties, and Cytotoxicities of 2H-Naphtho[1,2-b]pyran and Its Photodimers.","The Journal of organic chemistry","2015","80","11","5687","5695","10.1021/acs.joc.5b00645","","","0.71","MoKα","","0.1322","0.0991","","","0.2467","0.2734","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030960","8.3918","0.0002","9.3294","0.0003","12.1587","0.0003","70.646","0.002","82.2385","0.0012","72.7588","0.0012","857.04","0.04","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","6-Bromo-5-methoxy-13a-methyl-8H-dibenzo[b,h]xanthene-8,13(13aH)-dione","","- C23 H15 Br O4 -","- C23 H15 Br O4 -","- C46 H30 Br2 O8 -","2","1","","Ota, Motohiro; Sasamori, Takahiro; Tokitoh, Norihiro; Onodera, Takefumi; Mizushina, Yoshiyuki; Kuramochi, Kouji; Tsubaki, Kazunori","Synthesis, Photochemical Properties, and Cytotoxicities of 2H-Naphtho[1,2-b]pyran and Its Photodimers.","The Journal of organic chemistry","2015","80","11","5687","5695","10.1021/acs.joc.5b00645","","","0.71075","MoKα","","0.0348","0.034","","","0.0797","0.0802","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030961","7.8772","0.0016","9.0475","0.0018","26.626","0.005","90","","90","","90","","1897.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Br N O4 -","- C21 H16 Br N O4 -","- C84 H64 Br4 N4 O16 -","4","1","","Hu, Zhi-Peng; Zhuang, Zhe; Liao, Wei-Wei","Asymmetric Synthesis of Dihydronaphthoquinones Containing Adjacent Stereocenters via a Sulfa-Michael Addition Triggered Ring-Expansion Approach.","The Journal of organic chemistry","2015","80","9","4627","4637","10.1021/acs.joc.5b00502","","","0.71073","MoKα","","0.1059","0.0518","","","0.1131","0.1354","","","","","","0.939","","","","has coordinates,has disorder","138284","2020-10-21","18:00:00",""
"4030962","7.6245","0.0009","10.3617","0.0012","11.7154","0.0014","92.793","0.0016","106.432","0.0014","93.7434","0.0016","883.67","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Br Cl N O3 -","- C19 H17 Br Cl N O3 -","- C38 H34 Br2 Cl2 N2 O6 -","2","1","","Damera, Krishna; Yu, Bingchen; Wang, Binghe","Stereoselective Synthesis of 1-Methyl-3',4',5',6'-tetrahydrospiro[indoline-3,2'-pyran]-2-one Derivatives via Prins Cyclization.","The Journal of organic chemistry","2015","80","11","5457","5463","10.1021/acs.joc.5b00249","","","0.71073","MoKα","","0.0736","0.0496","","","0.1132","0.1238","","","","","","1.015","","","","has coordinates","152868","2020-10-21","18:00:00",""
"4030963","7.737","0.002","10.668","0.003","11.524","0.003","95.567","0.004","108.801","0.004","95.3","0.004","888.4","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C40 H40 Br2 N2 O8 -","2","1","","Damera, Krishna; Yu, Bingchen; Wang, Binghe","Stereoselective Synthesis of 1-Methyl-3',4',5',6'-tetrahydrospiro[indoline-3,2'-pyran]-2-one Derivatives via Prins Cyclization.","The Journal of organic chemistry","2015","80","11","5457","5463","10.1021/acs.joc.5b00249","","","0.71073","MoKα","","0.059","0.044","","","0.1029","0.1097","","","","","","1.059","","","","has coordinates","152868","2020-10-21","18:00:00",""
"4030964","8.88","0.0016","10.855","0.003","16.771","0.003","90","","90","","90","","1616.6","0.6","293","","296.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N S -","- C20 H18 N S -","- C80 H72 N4 S4 -","4","1","","Jha, Mukund; Shelke, Ganesh M.; Cameron, T. Stanley; Kumar, Anil","Access to Substituted Dihydrothiopyrano[2,3-b]indoles via Sequential Rearrangements During S-Alkylation and Au-Catalyzed Hydroarylation on Indoline-2-thiones.","The Journal of organic chemistry","2015","80","10","5272","5278","10.1021/jo5025943","","","0.71075","MoKα","","","0.0764","","","","0.0822","","","","","","1.168","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030965","10.9511","0.0005","7.0532","0.0003","18.2429","0.0009","90","","94.658","0.005","90","","1404.43","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O4 -","- C16 H14 N O4 -","- C64 H56 N4 O16 -","4","1","","Murthy, Akondi Srirama; Donikela, Sangeetha; Reddy, Cirandur Suresh; Chegondi, Rambabu","Palladium-catalyzed regioselective domino cyclization of cyclohexadienones.","The Journal of organic chemistry","2015","80","11","5566","5571","10.1021/acs.joc.5b00493","","","0.71073","MoKα","","0.1256","0.0867","","","0.2326","0.3051","","","","","","1.186","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030966","32.74","0.005","14.888","0.002","38.686","0.005","90","","99.017","0.011","90","","18624","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,10-Dioxa-4^4,6^4,8^4-tri-tert-butyl-4^1,6^1,8^1-trimethoxy-1(1,4)-anthraquinona-4,6,8(2,6)-tribenzenacyclodecaphane","","","- C107 H119 Cl3 N2 O14 -","- C107 H119 Cl3 N2 O14 -","- C856 H952 Cl24 N16 O112 -","8","1","","Bürger, M; Katzsch, F.; Brendler, E.; Gruber, T.","Synthesis of macrocyclic receptors with intrinsic fluorescence featuring quinizarin moieties.","The Journal of organic chemistry","2015","80","10","4882","4892","10.1021/acs.joc.5b00223","","","0.71073","MoKα","","0.0497","0.0438","","","0.1","0.1028","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030967","10.6542","0.0008","23.6126","0.0017","9.1002","0.0006","90","","109.129","0.001","90","","2163","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-acetyl-4-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazol-1-yl)acetate","","- C21 H18 N4 O7 -","- C21 H18 N4 O7 -","- C84 H72 N16 O28 -","4","1","","Kamal, Ahmed; Sastry, K. N. Visweswara; Chandrasekhar, D.; Mani, Geeta Sai; Adiyala, Praveen Reddy; Nanubolu, Jagadeesh Babu; Singarapu, Kiran Kumar; Maurya, Ram Awatar","One-pot, three-component approach to the synthesis of 3,4,5-trisubstituted pyrazoles.","The Journal of organic chemistry","2015","80","9","4325","4335","10.1021/jo502946g","","","0.71073","MoKα","","0.0869","0.0692","","","0.1719","0.1852","","","","","","1.134","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030968","22.0146","0.0015","6.9363","0.0003","24.0365","0.0015","90","","95.483","0.006","90","","3653.6","0.4","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C176 H152 N8 O32 -","8","1","","Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming","Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin.","The Journal of organic chemistry","2015","80","9","4306","4312","10.1021/jo502775t","","","0.71073","MoKα","","0.0824","0.0499","","","0.1161","0.1368","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030969","6.648","0.002","7.314","0.003","20.372","0.007","85.053","0.005","86.533","0.004","70.707","0.004","930.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C44 H38 N2 O8 -","2","1","","Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming","Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin.","The Journal of organic chemistry","2015","80","9","4306","4312","10.1021/jo502775t","","","0.71073","MoKα","","0.0967","0.0559","","","0.0934","0.1091","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030970","6.8676","0.0004","19.5592","0.001","13.2959","0.001","90","","102.771","0.006","90","","1741.79","0.19","293","2","293","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C21 H16 O5 -","- C21 H16 O5 -","- C84 H64 O20 -","4","1","","Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming","Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin.","The Journal of organic chemistry","2015","80","9","4306","4312","10.1021/jo502775t","","","0.71073","MoKα","","0.0489","0.0398","","","0.1007","0.1082","","","","","","1.025","","","","has coordinates","138286","2020-10-21","18:00:00",""
"4030971","10.659","0.002","8.0066","0.0016","14.918","0.003","90","","103.12","0.03","90","","1239.9","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H27 B F4 N2 O4 -","- C24 H27 B F4 N2 O4 -","- C48 H54 B2 F8 N4 O8 -","2","1","","Pellegrino, Sara; Bonetti, Andrea; Clerici, Francesca; Contini, Alessandro; Moretto, Alessandro; Soave, Raffaella; Gelmi, Maria Luisa","1H-Azepine-2-oxo-5-amino-5-carboxylic Acid: A 310 Helix Inducer and an Effective Tool for Functionalized Gold Nanoparticles.","The Journal of organic chemistry","2015","80","11","5507","5516","10.1021/acs.joc.5b00396","","","0.71073","MoKα","","0.1381","0.0844","","","0.2312","0.2712","","","","","","1.015","","","","has coordinates,has disorder","141370","2020-10-21","18:00:00",""
"4030972","8.1555","0.0009","14.7517","0.0016","11.9062","0.0013","90","","98.459","0.003","90","","1416.8","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(N,N-Diethylamino)pyrene","","- C20 H19 N -","- C20 H19 N -","- C80 H76 N4 -","4","1","","Ji, Lei; Lorbach, Andreas; Edkins, Robert M.; Marder, Todd B.","Synthesis and photophysics of a 2,7-disubstituted donor-acceptor pyrene derivative: an example of the application of sequential ir-catalyzed C-h borylation and substitution chemistry.","The Journal of organic chemistry","2015","80","11","5658","5665","10.1021/acs.joc.5b00618","","","0.71073","MoKα","","0.0416","0.0368","","","0.1025","0.1069","","","","","","1.059","","","","has coordinates","140157","2020-10-21","18:00:00",""
"4030973","4.5911","0.0016","15.185","0.005","15.531","0.005","90","","93.104","0.009","90","","1081.2","0.6","102","","102","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Cyanopyrene","","- C17 H9 N -","- C17 H9 N -","- C68 H36 N4 -","4","1","","Ji, Lei; Lorbach, Andreas; Edkins, Robert M.; Marder, Todd B.","Synthesis and photophysics of a 2,7-disubstituted donor-acceptor pyrene derivative: an example of the application of sequential ir-catalyzed C-h borylation and substitution chemistry.","The Journal of organic chemistry","2015","80","11","5658","5665","10.1021/acs.joc.5b00618","","","0.71073","MoKα","","0.0647","0.0398","","","0.0992","0.1128","","","","","","1.039","","","","has coordinates","140157","2020-10-21","18:00:00",""
"4030974","8.6919","0.0007","7.6012","0.0006","23.777","0.002","90","","91.495","0.002","90","","1570.4","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Cyano-7-(N,N-diethylamino)pyrene","","- C21 H18 N2 -","- C21 H18 N2 -","- C84 H72 N8 -","4","1","","Ji, Lei; Lorbach, Andreas; Edkins, Robert M.; Marder, Todd B.","Synthesis and photophysics of a 2,7-disubstituted donor-acceptor pyrene derivative: an example of the application of sequential ir-catalyzed C-h borylation and substitution chemistry.","The Journal of organic chemistry","2015","80","11","5658","5665","10.1021/acs.joc.5b00618","","","0.71073","MoKα","","0.052","0.038","","","0.1014","0.1111","","","","","","1.041","","","","has coordinates","140157","2020-10-21","18:00:00",""
"4030975","8.893","0.0003","25.5926","0.0008","14.1377","0.0004","90","","90.01","","90","","3217.67","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H35 N3 O8 -","- C35 H35 N3 O8 -","- C140 H140 N12 O32 -","4","2","","Dai, Wei; Jiang, Xiao-Li; Wu, Qiong; Shi, Feng; Tu, Shu-Jiang","Diastereo- and Enantioselective Construction of 3,3'-Pyrrolidinyldispirooxindole Framework via Catalytic Asymmetric 1,3-Dipolar Cycloadditions.","The Journal of organic chemistry","2015","80","11","5737","5744","10.1021/acs.joc.5b00708","","","1.54178","CuKα","","0.0836","0.0799","","","0.1989","0.2048","","","","","","1.064","","","","has coordinates","140165","2020-10-21","18:00:00",""
"4030976","12.2059","0.0005","6.2367","0.0002","13.0601","0.0005","90","","108.288","0.001","90","","943.98","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 O2 P -","- C25 H19 O2 P -","- C50 H38 O4 P2 -","2","1","","Matano, Yoshihiro; Motegi, Yuta; Kawatsu, Shinsuke; Kimura, Yoshifumi","Comparison of 2-Arylnaphtho[2,3-b]phospholes and 2-Arylbenzo[b]phospholes: Effects of 2-Aryl Groups and Fused Arene Moieties on Their Optical and Photophysical Properties.","The Journal of organic chemistry","2015","80","11","5944","5950","10.1021/acs.joc.5b00541","","","0.71073","MoKα","","0.0357","0.0311","","","0.0728","0.0741","","","","","","1.341","","","","has coordinates","140166","2020-10-21","18:00:00",""
"4030977","12.0467","0.0006","6.5161","0.0003","12.2531","0.0005","90","","117.784","0.002","90","","850.95","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H14 N O P -","- C21 H14 N O P -","- C42 H28 N2 O2 P2 -","2","1","","Matano, Yoshihiro; Motegi, Yuta; Kawatsu, Shinsuke; Kimura, Yoshifumi","Comparison of 2-Arylnaphtho[2,3-b]phospholes and 2-Arylbenzo[b]phospholes: Effects of 2-Aryl Groups and Fused Arene Moieties on Their Optical and Photophysical Properties.","The Journal of organic chemistry","2015","80","11","5944","5950","10.1021/acs.joc.5b00541","","","0.71075","MoKα","","0.063","0.0446","","","0.0866","0.0956","","","","","","1.197","","","","has coordinates","140166","2020-10-21","18:00:00",""
"4030978","7.8592","0.0003","15.6109","0.0005","9.489","0.0006","90","","90.895","0.006","90","","1164.06","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 I N S -","- C13 H8 I N S -","- C52 H32 I4 N4 S4 -","4","1","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71075","MoKα","","0.034","0.031","","0.0844","0.0826","0.0844","","","","","","0.9994","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030979","7.4374","0.0006","8.7655","0.0008","9.8437","0.0009","113.251","0.008","92.4","0.007","111.062","0.008","537.44","0.1","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C24 H16 I2 N6 -","2","1","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71075","MoKα","","0.0519","0.0438","","0.1225","0.1084","0.1225","","","","","","0.9344","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030980","10.2961","0.0003","10.9654","0.0003","11.4803","0.0008","107.119","0.008","105.292","0.007","104.881","0.007","1113.45","0.14","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C15 H9 Cl3 F6 I N O4 S2 -","- C15 H9 Cl3 F6 I N O4 S2 -","- C30 H18 Cl6 F12 I2 N2 O8 S4 -","2","1","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71073","MoKα","","0.0795","0.0716","","0.1959","0.1889","0.1959","","","","","","0.9144","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030981","11.8176","0.0002","20.2033","0.0004","14.6196","0.001","90","","93.472","0.007","90","","3484.1","0.3","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F6 I N O4 S2 -","- C14 H8 F6 I N O4 S2 -","- C112 H64 F48 I8 N8 O32 S16 -","8","2","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71075","MoKα","","0.0391","0.0342","","0.0913","0.0887","0.0913","","","","","","0.9778","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030982","9.37265","0.00013","9.64096","0.00014","17.4564","0.0002","90","","90","","90","","1577.38","0.04","119.99","0.1","119.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0347","0.0337","","","0.0863","0.0876","","","","","","1.052","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030983","10.8866","0.00016","14.8755","0.0002","10.23202","0.00014","90","","90","","90","","1657.01","0.04","119.99","0.1","119.99","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0337","0.0323","","","0.0848","0.0865","","","","","","1.024","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030984","15.74885","0.00018","15.74885","0.00018","11.05787","0.00017","90","","90","","120","","2375.2","0.05","120","0.1","120","0.1","","","","","","","","5","P 61","P 61","169","","","","- C14 H17 F3 N2 O2 -","- C14 H17 F3 N2 O2 -","- C84 H102 F18 N12 O12 -","6","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0816","0.0756","","","0.221","0.2306","","","","","","1.09","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030985","9.46505","0.0001","10.5284","0.00011","18.0621","0.0002","90","","90","","90","","1799.92","0.03","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C76 H76 F12 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0376","0.0368","","","0.0929","0.0941","","","","","","1.096","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030986","9.42849","0.00013","10.19836","0.00014","17.3158","0.0003","90","","90","","90","","1665","0.04","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O S -","- C18 H22 N2 O S -","- C72 H88 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0354","0.0339","","","0.0889","0.0908","","","","","","1.053","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030987","8.6606","0.0003","8.8909","0.0002","11.7871","0.0004","78.273","0.003","86.46","0.003","78.272","0.003","869.92","0.05","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O S -","- C19 H22 N2 O S -","- C38 H44 N4 O2 S2 -","2","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0407","0.0391","","","0.106","0.1072","","","","","","1.087","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030988","9.53269","0.00013","9.99519","0.00013","17.74","0.0003","90","","90","","90","","1690.29","0.04","119.99","0.1","119.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O S -","- C18 H22 N2 O S -","- C72 H88 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0338","0.0318","","","0.0806","0.0824","","","","","","1.042","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030989","14.2453","0.0004","6.382","0.0002","19.0726","0.0006","90","","104.567","0.003","90","","1678.22","0.09","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O S -","- C19 H22 N2 O S -","- C76 H88 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.1201","0.1146","","","0.2766","0.2848","","","","","","1.292","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030990","5.78072","0.00013","9.29719","0.00017","27.664","0.0005","90","","90","","90","","1486.79","0.05","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 N2 O S -","- C14 H17 F3 N2 O S -","- C56 H68 F12 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0474","0.0464","","","0.1238","0.1257","","","","","","1.059","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030991","9.42268","0.00011","10.66811","0.00013","18.2399","0.0002","90","","90","","90","","1833.51","0.04","119.97","0.1","119.97","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O S -","- C19 H19 F3 N2 O S -","- C76 H76 F12 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0312","0.0297","","","0.078","0.0794","","","","","","1.025","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030992","11.36582","0.00011","15.33727","0.00014","9.60241","0.00009","90","","90","","90","","1673.9","0.03","119.97","0.1","119.97","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H20 F2 N2 O2 -","- C19 H20 F2 N2 O2 -","- C76 H80 F8 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0304","0.0301","","","0.0795","0.0799","","","","","","1.033","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030993","17.9716","0.00018","10.96238","0.00011","19.195","0.0002","90","","90","","90","","3781.64","0.07","119.99","0.1","119.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Cl2 N2 O2 -","- C19 H20 Cl2 N2 O2 -","- C152 H160 Cl16 N16 O16 -","8","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0496","0.0452","","","0.1214","0.1269","","","","","","1.053","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030994","9.31801","0.00006","10.65613","0.00007","18.11473","0.00012","90","","90","","90","","1798.68","0.02","120.3","0.6","120.3","0.6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 F2 N2 O S -","- C19 H20 F2 N2 O S -","- C76 H80 F8 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0243","0.024","","","0.0634","0.0635","","","","","","1.088","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030995","7.3111","0.0004","8.9012","0.0005","14.1362","0.0008","72.375","0.005","78.013","0.005","74.229","0.005","835.84","0.09","120.3","0.5","120.3","0.5","","","","","","","","5","P 1","P 1","1","","","","- C18 H20 F2 N2 O2 -","- C18 H20 F2 N2 O2 -","- C36 H40 F4 N4 O4 -","2","2","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","0.71073","MoKα","","0.0633","0.0522","","","0.1394","0.1508","","","","","","1.011","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030996","8.1156","0.0006","19.852","0.0012","12.9765","0.0009","90","","90","","90","","2090.7","0.2","121","2","121","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl3 F2 N2 O S -","- C19 H21 Cl3 F2 N2 O S -","- C76 H84 Cl12 F8 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","0.71073","MoKα","","0.0741","0.0609","","","0.1738","0.1851","","","","","","1.101","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030997","11.711","0.0003","5.8434","0.0002","15.8296","0.0004","90","","97.347","0.001","90","","1074.36","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","2","","Mondal, Mukulesh; Chen, Shi; Othman, Nabil; Wheeler, Kraig A.; Kerrigan, Nessan J.","Phosphine-Catalyzed Diastereoselective Synthesis of β-Lactones from Disubstituted Ketenes and α-Chiral Oxyaldehydes.","The Journal of organic chemistry","2015","80","11","5789","5794","10.1021/acs.joc.5b00869","","","1.54178","CuKα","","0.0476","0.0427","","","0.1091","0.1152","","","","","","1.077","","","","has coordinates","140160","2020-10-21","18:00:00",""
"4030998","12.3053","0.0013","23.4741","0.0016","7.5861","0.0009","90","","92.857","0.009","90","","2188.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O5 -","- C22 H28 N O5 -","- C88 H112 N4 O20 -","4","1","","Kuş, Melih; Artok, Levent; Aygün, Muhittin","Palladium-Catalyzed Alkoxycarbonylation of Conjugated Enyne Oxiranes: A Diastereoselective Method for the Synthesis of 7-Hydroxy-2,3,5-trienoates.","The Journal of organic chemistry","2015","80","11","5494","5506","10.1021/acs.joc.5b00382","","x-ray","0.71073","MoKα","","0.1656","0.0676","","","0.1515","0.1984","","","","","","1","","","","has coordinates","140164","2020-10-21","18:00:00",""
"4030999","10.8246","0.0006","10.8803","0.0007","13.0456","0.0008","94.704","0.003","112.232","0.002","104.549","0.003","1349.47","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 Cl3 N2 Ru -","- C29 H29 Cl3 N2 Ru -","- C58 H58 Cl6 N4 Ru2 -","2","1","","Rajkumar, Subramani; Karthik, Shanmugam; Gandhi, Thirumanavelan","Ru(II)-Catalyzed β-Carboline Directed C-H Arylation and Isolation of Its Cycloruthenated Intermediates.","The Journal of organic chemistry","2015","80","11","5532","5545","10.1021/acs.joc.5b00411","","","0.71073","MoKα","","0.0433","0.0294","","","0.0709","0.0808","","","","","","1.071","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031000","16.5482","0.0003","5.5074","0.0001","20.1616","0.0004","90","","100.835","0.002","90","","1804.72","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C84 H84 N4 O12 S4 -","4","1","","Kocsis, Laura S.; Kagalwala, Husain N.; Mutto, Sharlene; Godugu, Bhaskar; Bernhard, Stefan; Tantillo, Dean J.; Brummond, Kay M.","Mechanistic Insight into the Dehydro-Diels-Alder Reaction of Styrene-Ynes.","The Journal of organic chemistry","2015","80","23","11686","11698","10.1021/acs.joc.5b00200","","","1.54178","CuKα","","0.1114","0.0651","","","0.1508","0.1719","","","","","","1.187","","","","has coordinates","170821","2020-10-21","18:00:00",""
"4031001","9.3949","0.0007","10.2467","0.0009","16.5514","0.0016","90","","103.123","0.002","90","","1551.7","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N3 -","- C16 H23 N3 -","- C64 H92 N12 -","4","1","","Pan, Yuan-Yuan; Wu, Ya-Nan; Chen, Zhen-Zhen; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of 3-Iminoindol-2-amines and Cyclic Enaminones via Palladium-Catalyzed Isocyanide Insertion-Cyclization.","The Journal of organic chemistry","2015","80","11","5764","5770","10.1021/acs.joc.5b00727","","","0.71073","MoKα","","0.1363","0.0561","","","0.1328","0.1912","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031002","24.847","0.003","8.6971","0.001","25.52","0.003","90","","111.133","0.002","90","","5143.9","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C248 H240 N16 O16 -","8","1","","Li, Bin; Guo, Shenghai; Zhang, Ju; Zhang, Xinying; Fan, Xuesen","Selective Access to 3-Cyano-1H-indoles, 9H-Pyrimido[4,5-b]indoles, or 9H-Pyrido[2,3-b]indoles through Copper-Catalyzed One-Pot Multicomponent Cascade Reactions.","The Journal of organic chemistry","2015","80","11","5444","5456","10.1021/acs.joc.5b00239","","","0.71073","MoKα","","0.0693","0.0405","","","0.0981","0.1132","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031003","9.982","0.002","10.135","0.002","11.35","0.002","64.99","0.03","67.67","0.03","88.86","0.03","948.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","","Li, Bin; Guo, Shenghai; Zhang, Ju; Zhang, Xinying; Fan, Xuesen","Selective Access to 3-Cyano-1H-indoles, 9H-Pyrimido[4,5-b]indoles, or 9H-Pyrido[2,3-b]indoles through Copper-Catalyzed One-Pot Multicomponent Cascade Reactions.","The Journal of organic chemistry","2015","80","11","5444","5456","10.1021/acs.joc.5b00239","","","0.71073","MoKα","","0.0828","0.0667","","","0.2331","0.2777","","","","","","1.144","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031004","18.44","0.007","9.281","0.003","18.624","0.008","90","","108.026","0.018","90","","3031","2","102","2","102","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N O2 Si -","- C15 H23 N O2 Si -","- C120 H184 N8 O16 Si8 -","8","1","","Geyer, Marcel; Karlsson, Olle; Baus, Johannes A.; Wellner, Eric; Tacke, Reinhold","Si- and C-Functional Organosilicon Building Blocks for Synthesis Based on 4-Silacyclohexan-1-ones Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,6-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl).","The Journal of organic chemistry","2015","80","11","5804","5811","10.1021/acs.joc.5b00774","","","0.71073","MoKα","","0.0537","0.0397","","","0.089","0.0966","","","","","","1.029","","","","has coordinates","140168","2020-10-21","18:00:00",""
"4031005","17.67","0.005","11.484","0.003","17.09","0.004","90","","108.22","0.02","90","","3294.1","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 N O3 Si -","- C16 H25 N O3 Si -","- C128 H200 N8 O24 Si8 -","8","1","","Geyer, Marcel; Karlsson, Olle; Baus, Johannes A.; Wellner, Eric; Tacke, Reinhold","Si- and C-Functional Organosilicon Building Blocks for Synthesis Based on 4-Silacyclohexan-1-ones Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,6-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl).","The Journal of organic chemistry","2015","80","11","5804","5811","10.1021/acs.joc.5b00774","","","0.71073","MoKα","","0.0526","0.0366","","","0.0851","0.093","","","","","","1.043","","","","has coordinates","140168","2020-10-21","18:00:00",""
"4031006","14.934","0.0003","10.3766","0.0003","15.7056","0.0004","90","","116.087","0.002","90","","2185.87","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl3 N O3 Si -","- C16 H30 Cl3 N O3 Si -","- C64 H120 Cl12 N4 O12 Si4 -","4","1","","Kumar, Varun; Klimovica, Kristine; Rasina, Dace; Jirgensons, Aigars","2-Vinyl Threoninol Derivatives via Acid-Catalyzed Allylic Substitution of Bisimidates.","The Journal of organic chemistry","2015","80","11","5934","5943","10.1021/acs.joc.5b00529","","","0.71073","MoKα","","0.1013","0.0571","","","0.1223","0.1441","","","","","","1.019","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031007","11.435","0.0005","13.7734","0.0004","27.2118","0.0017","90","","90","","90","","4285.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H12 Co2 O6 S -","- C23 H12 Co2 O6 S -","- C184 H96 Co16 O48 S8 -","8","1","","Danilkina, Natalia A.; Lyapunova, Anna G.; Khlebnikov, Alexander F.; Starova, Galina L.; Bräse, Stefan; Balova, Irina A.","Ring-Closing Metathesis of Co2(CO)6-Alkyne Complexes for the Synthesis of 11-Membered Dienediynes: Overcoming Thermodynamic Barriers.","The Journal of organic chemistry","2015","80","11","5546","5555","10.1021/acs.joc.5b00409","","","0.7107","MoKα","","0.071","0.0431","","","0.0728","0.082","","","","","","1.035","","","","has coordinates","154709","2020-10-21","18:00:00",""
"4031008","23.139","0.005","7.1275","0.0015","23.454","0.005","90","","96.439","0.007","90","","3843.7","1.4","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H63 N O2 Si -","- C40 H63 N O2 Si -","- C160 H252 N4 O8 Si4 -","4","1","","Listunov, Dymytrii; Fabing, Isabelle; Saffon-Merceron, Nathalie; Gaspard, Hafida; Volovenko, Yulian; Maraval, Valérie; Chauvin, Remi; Génisson, Yves","Asymmetric synthesis and biological evaluation of natural or bioinspired cytotoxic c2-symmetrical lipids with two terminal chiral alkynylcarbinol pharmacophores.","The Journal of organic chemistry","2015","80","11","5386","5394","10.1021/acs.joc.5b00494","","","0.71073","MoKα","","0.1594","0.0653","","","0.1086","0.137","","","","","","1.013","","","","has coordinates","140159","2020-10-21","18:00:00",""
"4031009","4.5889","0.0002","46.758","0.002","8.8264","0.0005","90","","104.958","0.003","90","","1829.69","0.15","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","2","","Listunov, Dymytrii; Fabing, Isabelle; Saffon-Merceron, Nathalie; Gaspard, Hafida; Volovenko, Yulian; Maraval, Valérie; Chauvin, Remi; Génisson, Yves","Asymmetric synthesis and biological evaluation of natural or bioinspired cytotoxic c2-symmetrical lipids with two terminal chiral alkynylcarbinol pharmacophores.","The Journal of organic chemistry","2015","80","11","5386","5394","10.1021/acs.joc.5b00494","","","0.71073","MoKα","","0.118","0.1027","","","0.274","0.2845","","","","","","1.051","","","","has coordinates,has disorder","140159","2020-10-21","18:00:00",""
"4031018","5.5907","0.0017","13.518","0.004","5.7882","0.0017","90","","92.261","0.007","90","","437.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C18 H30 N2 O4 -","2","1","","Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine.","The Journal of organic chemistry","2015","80","11","5824","5833","10.1021/acs.joc.5b00803","","","0.71073","MoKα","","0.0992","0.0633","","","0.144","0.1634","","","","","","1.039","","","","has coordinates","154708","2020-10-21","18:00:00",""
"4031019","10.902","0.009","11.579","0.009","11.064","0.009","90","","112.415","0.015","90","","1291.1","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H34 Cl N O4 Si -","- C24 H34 Cl N O4 Si -","- C48 H68 Cl2 N2 O8 Si2 -","2","1","","Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine.","The Journal of organic chemistry","2015","80","11","5824","5833","10.1021/acs.joc.5b00803","","","0.71073","MoKα","","0.0515","0.0475","","","0.1309","0.1353","","","","","","1.042","","","","has coordinates","154708","2020-10-21","18:00:00",""
"4031024","24.205","0.016","10.18","0.006","14.216","0.008","90","","107.461","0.014","90","","3342","4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Gao, Qinghe; Liu, Shan; Wu, Xia; Zhang, Jingjing; Wu, Anxin","Coproduct Promoted Povarov Reaction: Synthesis of Substituted Quinolines from Methyl Ketones, Arylamines, and α-Ketoesters.","The Journal of organic chemistry","2015","80","11","5984","5991","10.1021/acs.joc.5b00785","","","0.71073","MoKα","","0.1621","0.0654","","","0.1736","0.2292","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031025","10.3117","0.0005","11.9449","0.0007","20.2093","0.0013","90","","97.899","0.003","90","","2465.6","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 O2 Si -","- C26 H38 O2 Si -","- C104 H152 O8 Si4 -","4","1","","LeFort, François M; Mishra, Vinayak; Dexter, Graham D.; Morgan, Timothy D. R.; Burnell, D. Jean","Nazarov reactions intercepted by (4 + 3) cycloadditions with oxygen-substituted dienes.","The Journal of organic chemistry","2015","80","11","5877","5886","10.1021/acs.joc.5b00914","","","0.71075","MoKα","","","0.0579","","","","0.0699","","","","","","1.077","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031026","8.0594","0.0003","11.3396","0.0005","13.1503","0.0004","92.0232","0.0014","103.648","0.0015","102.583","0.002","1135.05","0.08","173.1","","173.1","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H34 O2 Si -","- C24 H34 O2 Si -","- C48 H68 O4 Si2 -","2","1","","LeFort, François M; Mishra, Vinayak; Dexter, Graham D.; Morgan, Timothy D. R.; Burnell, D. Jean","Nazarov reactions intercepted by (4 + 3) cycloadditions with oxygen-substituted dienes.","The Journal of organic chemistry","2015","80","11","5877","5886","10.1021/acs.joc.5b00914","","","0.7107","MoKα","","","0.0374","","","","0.059","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031027","19.9653","0.0005","11.0573","0.0005","19.3517","0.0006","90","","111.054","0.003","90","","3986.9","0.3","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H17 Br N2 O -","- C22 H17 Br N2 O -","- C176 H136 Br8 N16 O8 -","8","2","","You, Yong; Cui, Bao-Dong; Zhou, Ming-Qiang; Zuo, Jian; Zhao, Jian-Qiang; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael/Friedel-Crafts Cascade Reaction of 3-Pyrrolyl-oxindoles and α,β-Unsaturated Aldehydes for the Construction of Chiral Spiro[5,6-dihydropyrido[1,2-a]pyrrole-3,3'-oxindoles].","The Journal of organic chemistry","2015","80","11","5951","5957","10.1021/acs.joc.5b00597","","","1.54184","CuKα","","0.0378","0.035","","","0.0892","0.0921","","","","","","1.034","","","","has coordinates","154707","2020-10-21","18:00:00",""
"4031028","8.351","0.0003","10.3972","0.0005","19.702","0.0009","76.5053","0.0014","87.3402","0.0013","84.9412","0.0014","1656.37","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Allyl 2-(diphenylsulfuranylidene)-3-oxobutanoate","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","2","","Klimczyk, Sebastian; Huang, Xueliang; Kählig, Hanspeter; Veiros, Luís F; Maulide, Nuno","Stereoselective gold(i) domino catalysis of allylic isomerization and olefin cyclopropanation: mechanistic studies.","The Journal of organic chemistry","2015","80","11","5719","5729","10.1021/acs.joc.5b00666","","","0.71073","MoKα","","0.0693","0.0433","","","0.0948","0.1034","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031029","9.6424","0.0006","10.3792","0.0009","15.5817","0.001","101.835","0.006","99.157","0.006","110.433","0.007","1384.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Br N4 O3 S -","- C30 H27 Br N4 O3 S -","- C60 H54 Br2 N8 O6 S2 -","2","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0685","0.0433","","","0.0945","0.1073","","","","","","1.046","","","","has coordinates","140161","2020-10-21","18:00:00",""
"4031030","14.5464","0.0007","13.4795","0.0007","18.7867","0.0012","90","","128.458","0.003","90","","2884.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 I N4 O3 S -","- C30 H27 I N4 O3 S -","- C120 H108 I4 N16 O12 S4 -","4","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0635","0.0425","","","0.0926","0.1053","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031031","10.098","0.0008","10.4098","0.0008","14.2493","0.0013","81.816","0.007","71.45","0.007","80.408","0.006","1393.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N4 O3 S -","- C31 H30 N4 O3 S -","- C62 H60 N8 O6 S2 -","2","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0825","0.0511","","","0.1162","0.1377","","","","","","1.037","","","","has coordinates","140161","2020-10-21","18:00:00",""
"4031032","12.6036","0.0005","24.3794","0.0008","10.3073","0.0003","90","","100.851","0.003","90","","3110.48","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N4 O3 S -","- C30 H27 Cl N4 O3 S -","- C120 H108 Cl4 N16 O12 S4 -","4","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0705","0.0514","","","0.1517","0.165","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031033","12.6036","0.0007","24.4452","0.0012","10.3548","0.0004","90","","100.952","0.005","90","","3132.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Br N4 O3 S -","- C30 H27 Br N4 O3 S -","- C120 H108 Br4 N16 O12 S4 -","4","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0776","0.047","","","0.1192","0.1326","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031034","10.6858","0.0004","6.5912","0.0003","15.6583","0.0007","90","","100.169","0.003","90","","1085.52","0.08","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C50 H64 O8 -","2","1","","Williams, David R.; Gladen, Paul T.; Pinchman, Joseph R.","Total synthesis of neodolastane diterpenes trichoaurantianolides C and d.","The Journal of organic chemistry","2015","80","11","5474","5493","10.1021/acs.joc.5b00355","","x-ray","1.54178","CuKα","","0.0421","0.0346","","","0.0805","0.0842","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031035","22.497","0.003","5.437","0.0007","16.731","0.003","90","","110.762","0.017","90","","1913.6","0.5","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Ruiz-Olalla, Andrea; Retamosa, María de Gracia; Cossío, Fernando P","Densely Substituted l-Proline Esters as Catalysts for Asymmetric Michael Additions of Ketones to Nitroalkenes.","The Journal of organic chemistry","2015","80","11","5588","5599","10.1021/acs.joc.5b00495","","x-ray","1.54184","CuKα","","0.0924","0.0658","","","0.1475","0.1674","","","","","","0.998","","","","has coordinates,has disorder","141372","2020-10-21","18:00:00",""
"4031036","4.0495","0.0013","5.6747","0.0018","41.897","0.013","90","","91.009","0.005","90","","962.6","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br O S -","- C10 H7 Br O S -","- C40 H28 Br4 O4 S4 -","4","1","","Mal, Kanchan; Kaur, Amanpreet; Haque, Fazle; Das, Indrajit","PPh3·HBr-DMSO: A Reagent System for Diverse Chemoselective Transformations.","The Journal of organic chemistry","2015","80","12","6400","6410","10.1021/acs.joc.5b00846","","","0.71073","MoKα","","0.0495","0.0423","","","0.1059","0.11","","","","","","1.064","","","","has coordinates","140156","2020-10-21","18:00:00",""
"4031038","5.75012","0.00008","14.30489","0.00018","25.1436","0.0003","90","","90","","90","","2068.18","0.05","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Cl2 N O -","- C24 H21 Cl2 N O -","- C96 H84 Cl8 N4 O4 -","4","1","","Degennaro, Leonardo; Pisano, Luisa; Parisi, Giovanna; Mansueto, Rosmara; Clarkson, Guy J.; Shipman, Michael; Luisi, Renzo","Nitrogen Stereodynamics and Complexation Phenomena as Key Factors in the Deprotonative Dynamic Resolution of Alkylideneaziridines: A Spectroscopic and Computational Study.","The Journal of organic chemistry","2015","80","12","6411","6418","10.1021/acs.joc.5b00848","","x-ray","1.54184","CuKα","","0.0357","0.0339","","","0.0909","0.0926","","","","","","1.03","","","","has coordinates","141367","2020-10-21","18:00:00",""
"4031039","6.11584","0.00008","7.91067","0.00011","22.5849","0.0003","90","","93.7987","0.0012","90","","1090.27","0.03","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 Cl2 N O -","- C25 H23 Cl2 N O -","- C50 H46 Cl4 N2 O2 -","2","1","","Degennaro, Leonardo; Pisano, Luisa; Parisi, Giovanna; Mansueto, Rosmara; Clarkson, Guy J.; Shipman, Michael; Luisi, Renzo","Nitrogen Stereodynamics and Complexation Phenomena as Key Factors in the Deprotonative Dynamic Resolution of Alkylideneaziridines: A Spectroscopic and Computational Study.","The Journal of organic chemistry","2015","80","12","6411","6418","10.1021/acs.joc.5b00848","","x-ray","1.54184","CuKα","","0.0338","0.0336","","","0.089","0.0892","","","","","","1.038","","","","has coordinates","141367","2020-10-21","18:00:00",""
"4031040","11.2911","0.0014","11.5932","0.0013","12.2066","0.0014","90","","90","","90","","1597.8","0.3","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C68 H96 N8 O8 -","4","1","","Slater, Kara A.; Friestad, Gregory K.","Mn-Mediated Radical-Ionic Annulations of Chiral N-Acylhydrazones.","The Journal of organic chemistry","2015","80","12","6432","6440","10.1021/acs.joc.5b00863","","","0.71073","MoKα","","0.0643","0.0406","","","0.0804","0.0893","","","","","","1.024","","","","has coordinates,has disorder","140149","2020-10-21","18:00:00",""
"4031041","9.8962","0.0002","12.3956","0.0002","14.3686","0.0003","103.711","0.001","104.868","0.001","107.407","0.001","1528.58","0.05","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H46 N2 -","- C36 H46 N2 -","- C72 H92 N4 -","2","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0638","0.055","","","0.1233","0.1312","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031042","11.4645","0.0002","10.3142","0.0002","17.1773","0.0003","90","","100.207","0.001","90","","1999.02","0.06","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0636","0.0534","","","0.1217","0.1303","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031043","10.9544","0.0002","15.5811","0.0002","16.24","0.0003","90","","93.015","0.0001","90","","2768.03","0.08","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N2 S -","- C33 H34 N2 S -","- C132 H136 N8 S4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0712","0.0564","","","0.1228","0.1339","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031044","10.3678","0.0001","20.1857","0.0003","38.4806","0.0006","90","","95.39","0.001","90","","8017.66","0.19","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H62 Al N2 -","- C44.5 H62 Al N2 -","- C356 H496 Al8 N16 -","8","2","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.1156","0.0772","","","0.1678","0.1899","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031045","14.0496","0.0008","9.4","0.0005","21.414","0.0012","90","","104.563","0.005","90","","2737.2","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 O2 -","- C32 H36 N2 O2 -","- C128 H144 N8 O8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","1.54178","CuKα","","0.0702","0.048","","","0.1065","0.1207","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031046","9.5726","0.0001","10.3245","0.0002","19.003","0.0003","89.129","0.001","79.111","0.001","79.743","0.001","1814.49","0.05","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H58 Al N3 -","- C38 H58 Al N3 -","- C76 H116 Al2 N6 -","2","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0531","0.047","","","0.1096","0.1156","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031047","15.5641","0.0002","9.7761","0.0002","20.3018","0.0003","90","","91.927","0.002","90","","3087.3","0.09","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 N2 -","- C36 H46 N2 -","- C144 H184 N8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0727","0.0528","","","0.1161","0.1306","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031048","16.316","0.003","18.957","0.004","24.372","0.005","90","","93.41","0.03","90","","7525","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Al N2 S -","- C41 H51 Al N2 S -","- C328 H408 Al8 N16 S8 -","8","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.1035","0.0672","","","0.1299","0.149","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031049","24.337","0.0003","14.4058","0.0002","23.6049","0.0003","90","","116.255","0.001","90","","7421.96","0.18","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Al N2 O -","- C41 H51 Al N2 O -","- C328 H408 Al8 N16 O8 -","8","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0809","0.0593","","","0.1238","0.1378","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031050","12.2472","0.0002","14.9329","0.0002","15.3099","0.0002","90","","105.568","0.001","90","","2697.25","0.07","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 N2 O -","- C33 H34 N2 O -","- C132 H136 N8 O4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0656","0.0544","","","0.1283","0.1361","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031051","9.5999","0.0003","21.4717","0.0007","21.4092","0.0008","90","","103.025","0.002","90","","4299.5","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O -","- C24 H30 N2 O -","- C192 H240 N16 O8 -","8","2","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","1.54178","CuKα","","0.0673","0.0559","","","0.1447","0.1556","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031052","11.2789","0.0002","14.8836","0.0002","16.6853","0.0003","108.907","0.001","93.118","0.001","90.678","0.001","2644.64","0.08","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H41 N3 -","- C30 H41 N3 -","- C120 H164 N12 -","4","2","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0895","0.0718","","","0.1562","0.1699","","","","","","1.095","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031053","13.3302","0.0002","17.4231","0.0003","13.193","0.0002","90","","112.82","0.001","90","","2824.28","0.08","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 N3 O2 -","- C31 H41 N3 O2 -","- C124 H164 N12 O8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.085","0.0635","","","0.1315","0.147","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031054","11.7512","0.0002","13.6029","0.0002","16.0553","0.0002","90","","90","","90","","2566.45","0.07","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N3 O2 -","- C31 H29 N3 O2 -","- C124 H116 N12 O8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0385","0.035","","","0.0779","0.0813","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031055","9.6606","0.0005","10.3697","0.0004","19.904","0.0011","90","","94.215","0.004","90","","1988.54","0.17","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","1.54178","CuKα","","0.0547","0.0429","","","0.1017","0.1096","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031056","35.9358","0.0004","10.7792","0.0003","13.7801","0.0002","90","","105.597","0.001","90","","5141.29","0.17","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N2 O2 -","- C32 H30 N2 O2 -","- C256 H240 N16 O16 -","8","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.05","0.0424","","","0.0989","0.1058","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031057","9.3621","0.0002","10.0342","0.0002","18.8087","0.0005","91.158","0.001","99.102","0.001","115.881","0.001","1561.73","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 Al N -","- C34 H46 Al N -","- C68 H92 Al2 N2 -","2","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.089","0.0736","","","0.1772","0.1926","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031058","12.6115","0.0002","13.0653","0.0002","14.4113","0.0002","67.348","","71.132","","86.941","0.001","2066.77","0.05","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","2","","Bornadiego, Ana; Díaz, Jesús; Marcos, Carlos F.","Regioselective Tandem [4 + 1]-[4 + 2] Synthesis of Amino-Substituted Dihydroxanthones and Xanthones.","The Journal of organic chemistry","2015","80","12","6165","6172","10.1021/acs.joc.5b00658","","","0.71073","MoKα","","0.054","0.0434","","","0.1384","0.1506","","","","","","1.1487","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031059","5.283","0.0012","10.535","0.003","18.544","0.004","84.255","0.018","85.865","0.017","89.552","0.019","1024.2","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H25 N3 O6 -","- C19 H25 N3 O6 -","- C38 H50 N6 O12 -","2","2","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.1572","0.0813","","","0.1928","0.2601","","","","","","1.009","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031060","5.4181","0.0006","15.648","0.0015","12.4307","0.0015","90","","92.416","0.009","90","","1053","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N3 O6 -","- C19 H25 N3 O6 -","- C38 H50 N6 O12 -","2","1","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.1251","0.0637","","","0.1392","0.1723","","","","","","1.046","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031061","5.4242","0.0013","15.518","0.005","23.693","0.005","90","","90","","90","","1994.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N3 O6 -","- C18 H23 N3 O6 -","- C72 H92 N12 O24 -","4","1","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.2514","0.0757","","","0.0784","0.117","","","","","","0.976","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031062","10.7814","0.001","10.1234","0.0008","26.655","0.003","90","","90.485","0.01","90","","2909.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N3 O7 -","- C28 H33 N3 O7 -","- C112 H132 N12 O28 -","4","2","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.2651","0.0999","","","0.2027","0.2498","","","","","","0.969","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031063","8.7262","0.0002","17.1531","0.0005","11.8482","0.0003","90","","92.796","0.001","90","","1771.34","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Slauson, Stephen R.; Pemberton, Ryan; Ghosh, Partha; Tantillo, Dean J.; Aubé, Jeffrey","Domino Acylation/Diels-Alder Synthesis of N-Alkyl-octahydroisoquinolin-1-one-8-carboxylic Acids under Low-Solvent Conditions.","The Journal of organic chemistry","2015","80","10","5260","5271","10.1021/acs.joc.5b00804","","","1.54178","CuKα","","0.0314","0.0313","","","0.0746","0.0748","","","","","","1.083","","","","has coordinates","138001","2020-10-21","18:00:00",""
"4031064","10.1366","0.0003","6.8043","0.0002","22.8035","0.0007","90","","101.968","0.001","90","","1538.63","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Slauson, Stephen R.; Pemberton, Ryan; Ghosh, Partha; Tantillo, Dean J.; Aubé, Jeffrey","Domino Acylation/Diels-Alder Synthesis of N-Alkyl-octahydroisoquinolin-1-one-8-carboxylic Acids under Low-Solvent Conditions.","The Journal of organic chemistry","2015","80","10","5260","5271","10.1021/acs.joc.5b00804","","","1.54178","CuKα","","0.0388","0.0379","","","0.0975","0.0982","","","","","","1.138","","","","has coordinates","138002","2020-10-21","18:00:00",""
"4031065","5.2638","0.0002","19.753","0.0008","46.4372","0.0018","90","","90","","90","","4828.3","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H52 I2 N4 O11 -","- C51 H52 I2 N4 O11 -","- C204 H208 I8 N16 O44 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.54178","CuKα","","0.0347","0.0301","","","0.0734","0.0752","","","","","","1.047","","","","has coordinates,has disorder","138003","2020-10-21","18:00:00",""
"4031066","4.9813","0.0006","15.186","0.0017","30.852","0.004","90","","90","","90","","2333.8","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 I N2 O5 -","- C25 H25 I N2 O5 -","- C100 H100 I4 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.0699","0.0562","","","0.1352","0.1418","","","","","","1.012","","","","has coordinates","138004","2020-10-21","18:00:00",""
"4031067","4.8504","0.0004","11.6933","0.0009","18.5551","0.0015","90","","96.39","0.004","90","","1045.85","0.15","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.54178","CuKα","","0.0465","0.0357","","","0.0851","0.0906","","","","","","1.046","","","","has coordinates","138005","2020-10-21","18:00:00",""
"4031068","5.1384","0.0003","15.0009","0.0009","28.0218","0.0016","90","","90","","90","","2159.9","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C100 H104 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.0886","0.054","","","0.1053","0.1172","","","","","","1.072","","","","has coordinates","138006","2020-10-21","18:00:00",""
"4031069","9.4075","0.0008","12.1987","0.001","27.339","0.002","90","","90","","90","","3137.4","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 N2 O7 -","- C35 H38 N2 O7 -","- C140 H152 N8 O28 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.117","0.0547","","","0.1057","0.1246","","","","","","1.012","","","","has coordinates,has disorder","138007","2020-10-21","18:00:00",""
"4031070","11.494","0.003","12.538","0.003","16.684","0.004","90","","90","","90","","2404.4","1","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl3 N O4 S -","- C23 H18 Cl3 N O4 S -","- C92 H72 Cl12 N4 O16 S4 -","4","1","","Wen, Jiangwei; Wei, Wei; Xue, Shengnan; Yang, Daoshan; Lou, Yu; Gao, Chaoyang; Wang, Hua","Metal-Free Oxidative Spirocyclization of Alkynes with Sulfonylhydrazides Leading to 3-Sulfonated Azaspiro[4,5]trienones.","The Journal of organic chemistry","2015","80","10","4966","4972","10.1021/acs.joc.5b00361","","","0.71073","MoKα","","0.0817","0.0579","","","0.1332","0.1458","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031071","10.83","0.002","10.354","0.002","11.114","0.002","90","","94.62","0.03","90","","1242.2","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Cl2 N O5 -","- C26 H25 Cl2 N O5 -","- C52 H50 Cl4 N2 O10 -","2","1","","Wang, Feng; Li, Zhen; Wang, Jie; Li, Xin; Cheng, Jin-Pei","Enantioselective Synthesis of Dihydropyran-Fused Indoles through [4+2] Cycloaddition between Allenoates and 3-Olefinic Oxindoles.","The Journal of organic chemistry","2015","80","10","5279","5286","10.1021/acs.joc.5b00212","","","0.71073","MoKα","","0.0365","0.0277","","","0.0647","0.0667","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031072","5.6009","0.0011","14.502","0.003","24.919","0.005","90","","90","","90","","2024","0.7","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","","Wang, Feng; Li, Zhen; Wang, Jie; Li, Xin; Cheng, Jin-Pei","Enantioselective Synthesis of Dihydropyran-Fused Indoles through [4+2] Cycloaddition between Allenoates and 3-Olefinic Oxindoles.","The Journal of organic chemistry","2015","80","10","5279","5286","10.1021/acs.joc.5b00212","","","0.71073","MoKα","","0.0403","0.0381","","","0.0823","0.084","","","","","","1.077","","","","has coordinates","138010","2020-10-21","18:00:00",""
"4031073","6.3432","0.0004","11.6806","0.0009","11.8916","0.0009","90","0.006","97.09","0.006","90","0.006","874.34","0.11","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cyanoadamantan form A1","","","- C11 H13 N -","- C11 H13 N -","- C44 H52 N4 -","4","1","","Bremer, Matthias; Untenecker, Harald; Gunchenko, Pavel A.; Fokin, Andrey A.; Schreiner, Peter R.","Inverted Carbon Geometries: Challenges to Experiment and Theory.","The Journal of organic chemistry","2015","80","12","6520","6524","10.1021/acs.joc.5b00845","","x-ray","1.5418","CuKα","","0.0483","0.04","","","0.1035","0.1096","","","","","","1.061","","","","has coordinates","140148","2020-10-21","18:00:00",""
"4031074","10.3611","0.0012","6.327","0.0008","14.2252","0.0017","90","","110.316","0.0017","90","","874.52","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C38 H34 Br2 N4 O6 -","2","1","","Mao, Jian-Hui; Wang, Zi-Tian; Wang, Zhan-Yong; Cheng, Ying","N-Heterocyclic Carbene-Catalyzed Oxidative Annulations of α,β-Unsaturated Aldehydes with Hydrazones: Selective Synthesis of Optically Active 4,5-Dihydropyridazin-3-ones and Pyridazin-3-ones.","The Journal of organic chemistry","2015","80","12","6350","6359","10.1021/acs.joc.5b00784","","","0.71073","MoKα","","0.0258","0.0233","","","0.0529","0.0538","","","","","","0.855","","","","has coordinates","140150","2020-10-21","18:00:00",""
"4031075","17.1991","0.0006","32.3567","0.0012","5.9359","0.0002","90","","90","","90","","3303.4","0.2","158","2","158","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H57 O7 -","- C34 H56.992 O7 -","- C136 H227.968 O28 -","4","1","","Jastrzębska, Izabella; Morawiak, Maja; Rode, Joanna E.; Seroka, Barbara; Siergiejczyk, Leszek; Morzycki, Jacek W.","Oxidation of Olefins with Benzeneseleninic Anhydride in the Presence of TMSOTf.","The Journal of organic chemistry","2015","80","12","6052","6061","10.1021/acs.joc.5b00410","","","1.54178","CuKα","","0.0705","0.0576","","","0.16","0.1647","","","","","","1.04","","","","has coordinates,has disorder","141368","2020-10-21","18:00:00",""
"4031076","8.8431","0.0015","9.2418","0.0009","11.882","0.0018","69.782","0.011","88.764","0.016","79.097","0.013","893.8","0.2","120","2","120","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P -1","-P 1","2","","","","- C26 H14 O2 -","- C26 H14 O2 -","- C52 H28 O4 -","2","1","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.0698","0.054","","","0.1445","0.1575","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031077","15.365","0.003","14.272","0.003","16.775","0.003","90","","90","","90","","3678.6","1.2","120","2","120","2","","","","","","","synthesized by Dr. Jiri Kaleta","2","P b c a","-P 2ac 2ab","61","","","","- C28 H14 -","- C28 H14 -","- C224 H112 -","8","1","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.066","0.0602","","","0.1456","0.1499","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031078","21.7286","0.0007","7.9945","0.0002","13.6141","0.0004","90","","90.9662","0.0012","90","","2364.56","0.12","150","2","150","2","","","","","","","synthesized by Dr. Kaleta","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H14 Br4 -","- C28 H14 Br4 -","- C112 H56 Br16 -","4","0.5","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.0494","0.0326","","","0.0774","0.0835","","","","","","1.044","","","","has coordinates","140152","2020-10-21","18:00:00",""
"4031079","11.5848","0.0003","19.1308","0.0005","13.8902","0.0003","90","","97.353","0.001","90","","3053.12","0.13","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl2 -","- C36 H44 Cl2 -","- C144 H176 Cl8 -","4","1","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.066","0.0414","","","0.0953","0.1066","","","","","","1.023","","","","has coordinates","140152","2020-10-21","18:00:00",""
"4031080","15.3762","0.0012","9.3483","0.0007","6.8213","0.0006","90","","90","","90","","980.5","0.14","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","2,2-dinitropropane-1,3-diyl dicarbamate","2,2-dinitropropane-1,3-diyl dicarbamate","","- C5 H8 N4 O8 -","- C5 H8 N4 O8 -","- C20 H32 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0616","0.042","","","0.0718","0.0822","","","","","","1.047","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031081","13.471","0.003","6.399","0.0007","9.737","0.0013","90","","106.543","0.018","90","","804.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2-dinitropropyl carbamate","2,2-dinitropropyl carbamate","","- C4 H7 N3 O6 -","- C4 H7 N3 O6 -","- C16 H28 N12 O24 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0712","0.0507","","","0.1211","0.135","","","","","","1.066","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031082","13.4255","0.0008","10.2488","0.0006","7.469","0.0005","90","","95.778","0.006","90","","1022.48","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4,4-trinitrobutyl carbamate","4,4,4-trinitrobutyl carbamate","","- C5 H8 N4 O8 -","- C5 H8 N4 O8 -","- C20 H32 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0737","0.0573","","","0.1542","0.1684","","","","","","1.057","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031083","14.716","0.003","5.985","0.0009","9.6928","0.0012","90","","103.728","0.014","90","","829.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-fluoro-2,2-dinitroethyl nitrocarbamate","2-fluoro-2,2-dinitroethyl nitrocarbamate","","- C3 H3 F N4 O8 -","- C3 H3 F N4 O8 -","- C12 H12 F4 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0419","0.0306","","","0.0671","0.0735","","","","","","1.043","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031084","10.1269","0.0005","9.6783","0.0004","26.0397","0.0012","90","","90","","90","","2552.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2-dinitropropane-1,3-diyl bis(nitrocarbamate)","2,2-dinitropropane-1,3-diyl bis(nitrocarbamate)","","- C5 H6 N6 O12 -","- C5 H6 N6 O12 -","- C40 H48 N48 O96 -","8","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0388","0.0295","","","0.0703","0.0762","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031085","15.4551","0.0006","6.2566","0.0002","9.7445","0.0004","90","","105.824","0.004","90","","906.55","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2-dinitropropyl nitrocarbamate","2,2-dinitropropyl nitrocarbamate","","- C4 H6 N4 O8 -","- C4 H6 N4 O8 -","- C16 H24 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0387","0.0312","","","0.0742","0.0791","","","","","","1.051","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031086","8.569","0.001","10.803","0.0008","25.531","0.0005","90","","90","","90","","2363.4","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,4,4-trinitrobutyl nitrocarbamate","4,4,4-trinitrobutyl nitrocarbamate","","- C5 H7 N5 O10 -","- C5 H7 N5 O10 -","- C40 H56 N40 O80 -","8","2","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.1046","0.076","","","0.2012","0.2352","","","","","","1.033","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031087","14.207","0.005","18.011","0.006","20.025","0.007","89.45","0.05","74.45","0.04","88.09","0.04","4934","3","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H90 Br12 N6 -","- C108 H90 Br12 N6 -","- C216 H180 Br24 N12 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.2613","0.1124","","","0.1938","0.236","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031088","20.366","0.006","15.717","0.004","21.878","0.006","90","","116.18","0.03","90","","6285","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Br4 N2 -","- C36.0005 H30 Br4 N2 -","- C288.004 H240 Br32 N16 -","8","2","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.134","0.0482","","","0.0581","0.0642","","","","","","1.008","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031089","10.559","0.004","12.438","0.004","25.464","0.009","92.67","0.05","92.01","0.05","101.27","0.05","3273","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H60 Br8 N4 -","- C72 H60 Br8 N4 -","- C144 H120 Br16 N8 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.2392","0.0634","","","0.0639","0.0745","","","","","","0.885","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031090","13.461","0.004","14.296","0.004","14.91","0.005","95.41","0.03","111.3","0.03","90.28","0.03","2659","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57.5 H51 Br6 Cl2 N3 -","- C57.499 H51 Br6 Cl2 N3 -","- C114.998 H102 Br12 Cl4 N6 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1153","0.0487","","","0.0971","0.1076","","","","","","1.008","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031091","15.649","0.005","16.371","0.006","17.414","0.006","103.6","0.03","104.12","0.03","107.62","0.03","3886","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H72 Br8 N4 -","- C92.001 H72 Br8 N4 -","- C184.002 H144 Br16 N8 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1379","0.0675","","","0.1027","0.125","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031092","8.5347","0.0019","10.853","0.003","16.733","0.004","77.67","0.04","86.61","0.04","67.97","0.05","1403.2","0.8","95","2","95","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H76 N4 -","- C72 H76 N4 -","- C72 H76 N4 -","1","0.5","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.0931","0.0576","","","0.1117","0.1268","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031093","11.184","0.004","14.37","0.006","16.37","0.006","85.38","0.05","88","0.04","73.02","0.05","2507.8","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H47 Br6 Cl2 N3 -","- C54 H47 Br6 Cl2 N3 -","- C108 H94 Br12 Cl4 N6 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1649","0.1069","","","0.2428","0.2696","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031094","13.356","0.004","16.431","0.005","20.106","0.006","72.86","0.03","77.55","0.03","70.52","0.03","3941","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C98 H68 Br8 N4 -","- C98 H68 Br8 N4 -","- C196 H136 Br16 N8 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1245","0.0635","","","0.1049","0.1246","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031096","8.2829","0.0012","10.089","0.0015","30.145","0.004","90","","91.266","0.008","90","","2518.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N2 O5 S -","- C25 H32 N2 O5 S -","- C100 H128 N8 O20 S4 -","4","1","","Murugavel, Govindarasu; Punniyamurthy, Tharmalingam","Microwave-Assisted Copper-Catalyzed Four-Component Tandem Synthesis of 3-N-Sulfonylamidine Coumarins.","The Journal of organic chemistry","2015","80","12","6291","6299","10.1021/acs.joc.5b00738","","","0.71073","MoKα","","0.0672","0.0459","","","0.1239","0.1365","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031097","11.997","0.0005","18.4263","0.0007","12.1195","0.0004","90","","108.212","0.002","90","","2544.93","0.17","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O4 S -","- C27 H28 N2 O4 S -","- C108 H112 N8 O16 S4 -","4","1","","Murugavel, Govindarasu; Punniyamurthy, Tharmalingam","Microwave-Assisted Copper-Catalyzed Four-Component Tandem Synthesis of 3-N-Sulfonylamidine Coumarins.","The Journal of organic chemistry","2015","80","12","6291","6299","10.1021/acs.joc.5b00738","","","0.71073","MoKα","","0.0972","0.0506","","","0.1445","0.1713","","","","","","0.955","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031098","7.5235","0.0004","15.9222","0.0009","20.545","0.0012","90","","90","","90","","2461.1","0.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 O4 S -","- C32 H28 O4 S -","- C128 H112 O16 S4 -","4","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71075","MoKα","","0.0266","0.0261","","","0.0744","0.0751","","","","","","0.997","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031099","7.3352","0.0015","15.87","0.003","20.672","0.004","90","","90","","90","","2406.4","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 O4 S -","- C32 H28 O4 S -","- C128 H112 O16 S4 -","4","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71075","MoKα","","0.0278","0.0267","","","0.069","0.0697","","","","","","1.052","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031100","11.158","0.002","6.258","0.0011","12.637","0.003","90","","113.207","0.002","90","","811","0.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H15 Br O -","- C23 H15 Br O -","- C46 H30 Br2 O2 -","2","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71069","MoKα","","","0.046","","","","0.1278","","","","","","1.073","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031101","7.48247","0.0001","12.22704","0.00013","17.86813","0.00019","90","","90","","90","","1634.73","0.03","123.01","0.1","123.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl (S)-2-(1-(4-nitrophenyl)-1,4-dioxopentan-3-yl)malonate","","- C16 H17 N O8 -","- C16 H17 N O8 -","- C64 H68 N4 O32 -","4","1","","Lippur, Kristin; Kaabel, Sandra; Järving, Ivar; Rissanen, Kari; Kanger, Tõnis","CaCl2, Bisoxazoline, and Malonate: A Protocol for an Asymmetric Michael Reaction.","The Journal of organic chemistry","2015","80","12","6336","6341","10.1021/acs.joc.5b00769","","x-ray","1.54184","CuKα","","0.0249","0.0241","","","0.061","0.0616","","","","","","1.049","","","","has coordinates","140147","2020-10-21","18:00:00",""
"4031102","12.7684","0.0012","5.9698","0.0004","20.444","0.003","90","","100.819","0.011","90","","1530.6","0.3","291.89","0.1","291.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Zhong, Yuan; Ma, Shixiong; Li, Bai; Jiang, Xianxing; Wang, Rui","Diastereoselective Synthesis of Biheterocyclic Tetrahydrothiophene Derivatives via Base-Catalyzed Cascade Michael-Aldol [3 + 2] Annulation of 1,4-Dithiane-2,5-diol with Maleimides.","The Journal of organic chemistry","2015","80","13","6870","6874","10.1021/acs.joc.5b00897","","","0.71073","MoKα","","0.1434","0.0861","","","0.2156","0.307","","","","","","1.049","","","","has coordinates","140146","2020-10-21","18:00:00",""
"4031103","10.5067","0.0008","11.0853","0.0008","15.2577","0.0011","87.332","0.006","89.286","0.006","62.328","0.007","1572","0.2","294.58","0.1","294.58","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","2","","Zhong, Yuan; Ma, Shixiong; Li, Bai; Jiang, Xianxing; Wang, Rui","Diastereoselective Synthesis of Biheterocyclic Tetrahydrothiophene Derivatives via Base-Catalyzed Cascade Michael-Aldol [3 + 2] Annulation of 1,4-Dithiane-2,5-diol with Maleimides.","The Journal of organic chemistry","2015","80","13","6870","6874","10.1021/acs.joc.5b00897","","x-ray","0.71073","MoKα","","0.0643","0.0449","","","0.0907","0.1069","","","","","","1.081","","","","has coordinates","140146","2020-10-21","18:00:00",""
"4031104","11.2301","0.0009","4.8137","0.0004","15.8196","0.0017","90","","97.237","0.009","90","","848.37","0.13","182","30","182","30","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O3 S -","- C7 H9 N O3 S -","- C28 H36 N4 O12 S4 -","4","1","","Zhong, Yuan; Ma, Shixiong; Li, Bai; Jiang, Xianxing; Wang, Rui","Diastereoselective Synthesis of Biheterocyclic Tetrahydrothiophene Derivatives via Base-Catalyzed Cascade Michael-Aldol [3 + 2] Annulation of 1,4-Dithiane-2,5-diol with Maleimides.","The Journal of organic chemistry","2015","80","13","6870","6874","10.1021/acs.joc.5b00897","","","0.71073","MoKα","","0.0852","0.052","","","0.1188","0.1425","","","","","","1.02","","","","has coordinates","140146","2020-10-21","18:00:00",""
"4031105","9.6196","0.0004","11.5783","0.0005","28.3556","0.0013","90","","90","","90","","3158.2","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","x-ray","1.54184","CuKα","","0.053","0.0418","","","0.0929","0.1009","","","","","","1.049","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031106","7.6641","0.0003","17.3063","0.0008","10.5169","0.0004","90","","93.678","0.004","90","","1392.06","0.1","100","0.1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","x-ray","1.54184","CuKα","","0.0576","0.0426","","","0.0983","0.1069","","","","","","1.048","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031107","9.985","0.0007","14.3686","0.0013","16.9433","0.0009","69.827","0.007","77.025","0.006","74.068","0.007","2171.3","0.3","100","0.1","99.97","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O -","- C29 H25 N O -","- C116 H100 N4 O4 -","4","2","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","x-ray","1.54184","CuKα","","0.1439","0.0651","","","0.1483","0.1964","","","","","","0.959","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031108","11.6205","0.0002","11.36761","0.00017","19.4826","0.0004","90","","105.549","0.002","90","","2479.41","0.08","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N O4 -","- C29 H31 N O4 -","- C116 H124 N4 O16 -","4","1","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","","1.5418","CuKα","","0.0507","0.0403","","","0.1074","0.1175","","","","","","1.027","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031109","13.4777","0.0007","9.3088","0.0007","17.2255","0.0013","90","","106.022","0.003","90","","2077.2","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C21.67 H23.67 B N2 O5.67 -","- C21.67 H23.68 B N2 O5.67 -","- C86.68 H94.72 B4 N8 O22.68 -","4","1","","Eberlin, Ludovic; Carboni, Bertrand; Whiting, Andrew","Regioisomeric and Substituent Effects upon the Outcome of the Reaction of 1-Borodienes with Nitrosoarene Compounds.","The Journal of organic chemistry","2015","80","13","6574","6583","10.1021/acs.joc.5b00593","","x-ray","0.71073","MoKα","","0.0661","0.0426","","","0.0955","0.1068","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031110","15.2114","0.0014","7.1506","0.0007","12.2547","0.0012","90","","90","","90","","1333","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","","Sar, Dinabandhu; Bag, Raghunath; Bhattacharjee, Debajyoti; Deka, Ramesh Chandra; Punniyamurthy, Tharmalingam","Iron(III)-Mediated Radical Nitration of Bisarylsulfonyl Hydrazones: Synthesis of Bisarylnitromethyl Sulfones.","The Journal of organic chemistry","2015","80","13","6776","6783","10.1021/acs.joc.5b00820","","","0.71073","MoKα","","0.0576","0.0406","","","0.0922","0.1023","","","","","","1.114","","","","has coordinates","140145","2020-10-21","18:00:00",""
"4031111","9.493","0.0005","8.0554","0.0004","23.9965","0.0012","90","","94.04","0.003","90","","1830.45","0.16","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O7 S -","- C17 H19 N O7 S -","- C68 H76 N4 O28 S4 -","4","1","","Sar, Dinabandhu; Bag, Raghunath; Bhattacharjee, Debajyoti; Deka, Ramesh Chandra; Punniyamurthy, Tharmalingam","Iron(III)-Mediated Radical Nitration of Bisarylsulfonyl Hydrazones: Synthesis of Bisarylnitromethyl Sulfones.","The Journal of organic chemistry","2015","80","13","6776","6783","10.1021/acs.joc.5b00820","","","0.71073","MoKα","","0.0481","0.0404","","","0.1135","0.12","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031112","9.3764","0.0007","14.5912","0.0011","16.0093","0.0012","84.4469","0.0017","85.6663","0.0018","87.7373","0.0018","2172.6","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H62 F3 O5 P Pd S -","- C45 H62 F3 O5 P Pd S -","- C90 H124 F6 O10 P2 Pd2 S2 -","2","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0536","0.0387","","","0.0849","0.094","","","","","","1.012","","","","has coordinates,has disorder","140137","2020-10-21","18:00:00",""
"4031113","11.31","0.0017","17.578","0.003","17.184","0.003","90","","102.713","0.002","90","","3332.6","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 Cl O2 P Pd -","- C34 H50 Cl O2 P Pd -","- C136 H200 Cl4 O8 P4 Pd4 -","4","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0342","0.0313","","","0.0852","0.0877","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031114","12.9777","0.001","14.6182","0.0011","19.5826","0.0015","90","","90","","90","","3715","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H54 F3 O5 P Pd S -","- C35 H54 F3 O5 P Pd S -","- C140 H216 F12 O20 P4 Pd4 S4 -","4","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0207","0.0193","","","0.0472","0.0481","","","","","","1.052","","","","has coordinates,has disorder","140137","2020-10-21","18:00:00",""
"4031115","25.014","0.003","12.749","0.0013","18.2583","0.0019","90","","90","","90","","5822.6","1.1","200","2","200","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C55 H75 Cl O4 P2 Pd2 -","- C55 H75 Cl O4 P2 Pd2 -","- C220 H300 Cl4 O16 P8 Pd8 -","4","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.1578","0.0617","","","0.0961","0.1215","","","","","","1.033","","","","has coordinates","140137","2020-10-21","18:00:00",""
"4031116","17.8856","0.0014","14.336","0.0011","31.032","0.003","90","","97.703","0.002","90","","7885.1","1.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H54 F3 O3 P Pd S -","- C39 H54 F3 O3 P Pd S -","- C312 H432 F24 O24 P8 Pd8 S8 -","8","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0884","0.0484","","","0.1008","0.1186","","","","","","1.032","","","","has coordinates,has disorder","140137","2020-10-21","18:00:00",""
"4031117","10.5192","0.0002","21.7942","0.0005","19.6037","0.0005","90","","91.659","0.002","90","","4492.41","0.18","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H63 N O2 P Pd -","- C51 H63 N O2 P Pd -","- C204 H252 N4 O8 P4 Pd4 -","4","2","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","1.54178","CuKα","","0.1002","0.0816","","","0.2032","0.2184","","","","","","1.094","","","","has coordinates","140137","2020-10-21","18:00:00",""
"4031118","14.2001","0.0013","15.3974","0.0014","16.3997","0.0015","102.011","0.002","100.472","0.002","105.765","0.001","3265.3","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H48 Cl O2 P Pd -","- C33 H48 Cl O2 P Pd -","- C132 H192 Cl4 O8 P4 Pd4 -","4","2","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.051","0.0334","","","0.0738","0.0831","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031119","9.722","0.0002","10.9729","0.0002","21.2502","0.0005","90","","90","","90","","2266.94","0.08","150","","150","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.0869","0.0518","","0.1121","0.0921","0.0879","","","","","","0.9293","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031120","17.588","0.0004","5.8983","0.0002","18.3453","0.0006","90","","118.522","0.0011","90","","1672.15","0.09","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.0672","0.0425","","0.1054","0.0966","0.1054","","","","","","0.9359","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031121","12.1751","0.0002","9.859","0.0001","14.8593","0.0002","90","","111.057","0.0006","90","","1664.52","0.04","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.1044","0.1012","","0.2218","0.2207","0.2218","","","","","","1.0803","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031122","16.6322","0.001","24.935","0.0011","9.3624","0.0004","90","","98.764","0.005","90","","3837.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C160 H200 N8 O24 -","8","2","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","1.5418","CuKα","","0.1385","0.0767","","0.2405","0.1925","0.2399","","","","","","1.0928","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031123","5.5475","0.0005","16.3419","0.0015","19.7031","0.0016","90","","90","","90","","1786.2","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N -","- C21 H27 N -","- C84 H108 N4 -","4","1","","Drouillat, B.; Wright, K.; Quinodoz, P.; Marrot, J.; Couty, F.","Aza-[2,3]-Wittig Sigmatropic Rearrangement of Allylic Tertiary Amines: A Successful Example with High Chirality Transfer.","The Journal of organic chemistry","2015","80","13","6936","6940","10.1021/acs.joc.5b01230","","","0.71073","MoKα","","0.0635","0.0427","","","0.0903","0.1006","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031124","5.537","0.003","8.819","0.005","25.832","0.016","90","","90","","90","","1261.4","1.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 -","- C15 H18 N2 -","- C60 H72 N8 -","4","1","","Shih, Yu-Chiao; Tsai, Pei-Hua; Hsu, Chia-Chun; Chang, Chih-Wei; Jhong, Yuandong; Chen, Yun-Chung; Chien, Tun-Cheng","Biomimetic Approach toward the Total Synthesis of rac-2-(Acylmethylene)pyrrolidine Alkaloids.","The Journal of organic chemistry","2015","80","13","6669","6678","10.1021/acs.joc.5b00836","","","0.71073","MoKα","","0.1531","0.0593","","","0.1119","0.1459","","","","","","0.981","","","","has coordinates","152866","2020-10-21","18:00:00",""
"4031125","13.509","0.002","14.199","0.002","21.895","0.003","90","","90","","90","","4199.8","1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H29 N O Se -","- C25 H29 N O Se -","- C200 H232 N8 O8 Se8 -","8","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.71075","MoKα","","0.0362","0.031","","","0.0823","0.0858","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031126","9.993","0.003","8.339","0.003","24.66","0.008","90","","91.37","0.004","90","","2054.4","1.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O S -","- C24 H25 N O S -","- C96 H100 N4 O4 S4 -","4","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.71075","MoKα","","0.1232","0.0653","","","0.1606","0.2127","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031127","6.9162","0.0002","7.8388","0.0002","9.2345","0.0003","103.149","0.001","106.046","0.002","99.634","0.002","454.13","0.02","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H19 N O Se -","- C22 H19 N O Se -","- C22 H19 N O Se -","1","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.6889","","","0.0565","0.0558","","","0.1389","0.1394","","","","","","1.08","","","","has coordinates","140136","2020-10-21","18:00:00",""
"4031128","12.013","0.004","12.215","0.003","13.938","0.004","90","","105.871","0.004","90","","1967.3","1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.71075","MoKα","","0.1163","0.0682","","","0.1272","0.1526","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031129","8.5697","0.0017","14.922","0.003","9.629","0.003","90","","96.435","0.003","90","","1223.6","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H19 B N4 O5 -","- C9 H19 B N4 O5 -","- C36 H76 B4 N16 O20 -","4","1","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0438","0.0428","","","0.1409","0.1426","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031130","18.8403","0.0004","18.8403","0.0004","9.439","0.0004","90","","90","","90","","3350.44","0.17","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C40 H86 B4 K4 N12 O29 -","- C40 H86 B4 K4 N12 O29 -","- C80 H172 B8 K8 N24 O58 -","2","0.25","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0349","0.0298","","","0.0713","0.0739","","","","","","1","","","","has coordinates,has disorder","140143","2020-10-21","18:00:00",""
"4031131","9.1143","0.0008","11.9915","0.0011","15.5531","0.0014","90","","97.131","0.002","90","","1686.7","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H25 B N4 O5 -","- C15 H25 B N4 O5 -","- C60 H100 B4 N16 O20 -","4","1","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0428","0.0388","","","0.0935","0.0962","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031132","7.635","0.0008","15.3201","0.0015","23.135","0.002","90","","91.59","0.002","90","","2705","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl N O2 -","- C16 H12 Cl N O2 -","- C128 H96 Cl8 N8 O16 -","8","2","","Chandra Mohan, Darapaneni; Ravi, Chitrakar; Pappula, Venkatanarayana; Adimurthy, Subbarayappa","Synthesis of Indolizines through Oxidative Linkage of C-C and C-N Bonds from 2-Pyridylacetates.","The Journal of organic chemistry","2015","80","13","6846","6855","10.1021/acs.joc.5b00477","","","0.71073","MoKα","","0.1086","0.083","","","0.1599","0.1696","","","","","","1.222","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031133","12.1682","0.0012","10.0256","0.001","17.779","0.0013","90","","120.663","0.005","90","","1865.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Chandra Mohan, Darapaneni; Ravi, Chitrakar; Pappula, Venkatanarayana; Adimurthy, Subbarayappa","Synthesis of Indolizines through Oxidative Linkage of C-C and C-N Bonds from 2-Pyridylacetates.","The Journal of organic chemistry","2015","80","13","6846","6855","10.1021/acs.joc.5b00477","","","0.71073","MoKα","","0.0436","0.0391","","","0.1046","0.1088","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031134","9.5146","0.0005","10.4175","0.0008","22.0011","0.0016","91.882","0.006","95.119","0.005","93.892","0.005","2165.3","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 F O3 S Si -","- C22 H23 F O3 S Si -","- C88 H92 F4 O12 S4 Si4 -","4","2","","Chen, Qiao; Yu, Hongmei; Xu, Zhaoqing; Lin, Li; Jiang, Xianxing; Wang, Rui","Development and Application of O-(Trimethylsilyl)aryl Fluorosulfates for the Synthesis of Arynes.","The Journal of organic chemistry","2015","80","13","6890","6896","10.1021/acs.joc.5b00923","","x-ray","0.71073","MoKα","","0.1422","0.0732","","","0.1572","0.2154","","","","","","1.034","","","","has coordinates","140140","2020-10-21","18:00:00",""
"4031135","4.0706","0.0004","18.1822","0.0013","13.7386","0.0008","90","","94.167","0.006","90","","1014.14","0.14","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 -","- C12 H9 Cl N2 -","- C48 H36 Cl4 N8 -","4","1","","Zhang, Zhiguo; Li, Junlong; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin","Iron-Catalyzed Intramolecular C(sp(2))-N Cyclization of 1-(N-Arylpyrrol-2-yl)ethanone O-Acetyl Oximes toward Pyrrolo[1,2-a]quinoxaline Derivatives.","The Journal of organic chemistry","2015","80","13","6875","6884","10.1021/acs.joc.5b00915","","","1.54184","CuKα","","0.0688","0.0523","","","0.1462","0.1641","","","","","","1.034","","","","has coordinates","140144","2020-10-21","18:00:00",""
"4031136","11.547","0.003","10.075","0.002","14.611","0.003","90","","90.595","0.002","90","","1699.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O4 S -","- C19 H20 O4 S -","- C76 H80 O16 S4 -","4","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","0.71073","MoKα","","0.0426","0.0344","","","0.0859","0.0908","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031137","8.3947","0.0006","11.2061","0.0008","37.337","0.002","90","","90","","90","","3512.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O4 S -","- C17 H24 O4 S -","- C136 H192 O32 S8 -","8","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","0.71073","MoKα","","0.0477","0.0386","","","0.105","0.1184","","","","","","1.09","","","","has coordinates","140135","2020-10-21","18:00:00",""
"4031138","13.3424","0.0004","13.8449","0.0004","19.8273","0.0006","90","","90","","90","","3662.58","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O5 S -","- C20 H22 O5 S -","- C160 H176 O40 S8 -","8","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","1.54178","CuKα","","0.0309","0.0305","","","0.0794","0.0797","","","","","","1.063","","","","has coordinates","140135","2020-10-21","18:00:00",""
"4031139","9.6603","0.0004","13.1438","0.0004","15.3603","0.001","68.361","0.005","83.034","0.006","77.125","0.005","1765.67","0.16","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 N4 O11 S -","- C33 H43 N4 O11 S -","- C66 H86 N8 O22 S2 -","2","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","0.71075","","","0.0603","0.0545","","","","0.2044","","","","","","1.7193","","","","has coordinates","152865","2020-10-21","18:00:00",""
"4031140","13.0212","0.0003","9.6819","0.0002","39.807","0.003","90","","94.832","0.007","90","","5000.6","0.4","366","2","366","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 N4 O10 S -","- C23 H28 N4 O10 S -","- C184 H224 N32 O80 S8 -","8","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","1.54178","CuKα","","0.0529","0.0488","","","0.1311","0.1341","","","","","","1.072","","","","has coordinates","152865","2020-10-21","18:00:00",""
"4031141","11.3485","0.0002","12.9448","0.0002","18.7575","0.0013","90","","94.659","0.007","90","","2746.4","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N4 O10 S -","- C25 H32 N4 O10 S -","- C100 H128 N16 O40 S4 -","4","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","1.54187","CuKα","","0.0778","0.0655","","","0.1481","0.1561","","","","","","1.017","","","","has coordinates,has disorder","152865","2020-10-21","18:00:00",""
"4031142","9.2452","0.0009","13.4235","0.0013","13.8572","0.0013","90.827","0.006","92.071","0.007","103.914","0.007","1667.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N4 O11 S -","- C32 H42 N4 O11 S -","- C64 H84 N8 O22 S2 -","2","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","0.71075","MoKα","","0.0704","0.0547","","","0.1245","0.1328","","","","","","1.084","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031143","10.2479","0.0002","12.9727","0.0002","20.7998","0.0015","90","","92.979","0.007","90","","2761.4","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N4 O10 S -","- C25 H32 N4 O10 S -","- C100 H128 N16 O40 S4 -","4","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","1.54187","CuKα","","0.0342","0.0338","","","0.0997","0.1001","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031144","8.7426","0.0016","22.229","0.0015","13.9732","0.0011","90","","107.122","0.01","90","","2595.2","0.6","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H37 N O4 S -","- C27.5 H37 N O4 S -","- C110 H148 N4 O16 S4 -","4","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","0.71073","MoKα","","0.0969","0.0746","","","0.1319","0.1413","","","","","","1.105","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031146","21.9809","0.0006","5.6654","0.0001","18.7773","0.0005","90","","94.717","0.001","90","","2330.43","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F17 N O2 S -","- C18 H14 F17 N O2 S -","- C72 H56 F68 N4 O8 S4 -","4","1","","Dzandzi, James P. K.; Beckford Vera, Denis R.; Genady, Afaf R.; Albu, Silvia A.; Eltringham-Smith, Louise J; Capretta, Alfredo; Sheffield, William P.; Valliant, John F.","Fluorous Analogue of Chloramine-T: Preparation, X-ray Structure Determination, and Use as an Oxidant for Radioiodination and s-Tetrazine Synthesis.","The Journal of organic chemistry","2015","80","14","7117","7125","10.1021/acs.joc.5b00988","","","1.54178","CuKα","","0.0774","0.0675","","","0.2093","0.2187","","","","","","1.094","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031147","5.9298","0.0001","9.006","0.0002","44.0769","0.0011","90","","90.116","0.001","90","","2353.87","0.09","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl F17 N O2 S -","- C18 H13 Cl F17 N O2 S -","- C72 H52 Cl4 F68 N4 O8 S4 -","4","1","","Dzandzi, James P. K.; Beckford Vera, Denis R.; Genady, Afaf R.; Albu, Silvia A.; Eltringham-Smith, Louise J; Capretta, Alfredo; Sheffield, William P.; Valliant, John F.","Fluorous Analogue of Chloramine-T: Preparation, X-ray Structure Determination, and Use as an Oxidant for Radioiodination and s-Tetrazine Synthesis.","The Journal of organic chemistry","2015","80","14","7117","7125","10.1021/acs.joc.5b00988","","","1.54178","CuKα","","0.0729","0.0613","","","0.1548","0.1621","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031148","12.5944","0.0004","8.1531","0.0002","13.457","0.0005","90","","94.025","0.002","90","","1378.4","0.08","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol /cyclohexanone (1:1)","","- C34 H36 O5 -","- C34 H36 O5 -","- C68 H72 O10 -","2","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0488","0.0388","","","0.0986","0.1045","","","","","","1.037","","","","has coordinates","152870","2020-10-21","18:00:00",""
"4031149","10.3843","0.0003","15.2193","0.0003","18.2734","0.0004","90","","90","","90","","2887.96","0.12","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol /2-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C140 H152 O20 -","4","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.04","0.0335","","","0.082","0.0862","","","","","","1.03","","","","has coordinates,has disorder","152870","2020-10-21","18:00:00",""
"4031150","12.4493","0.0006","8.2368","0.0004","13.9466","0.0007","90","","95.843","0.002","90","","1422.69","0.12","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol/3-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C70 H76 O10 -","2","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0532","0.0459","","","0.1269","0.1356","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031151","8.181","0.002","9.952","0.003","10.163","0.003","79.296","0.006","68.813","0.005","65.825","0.005","703.2","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","none","(+)-(2R,3R)-1,1,4,4-tetraphenylbutane-1,2,3,4-tetraol/ 4-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C35 H38 O5 -","1","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0791","0.0515","","","0.1269","0.1338","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031152","5.6115","0.0011","9.994","0.0019","28.653","0.006","90","","90","","90","","1606.9","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Suga, Hiroyuki; Sekikawa, Yurie; Misawa, Shunta; Kinugawa, Daito; Oda, Rinnosuke; Itoh, Kennosuke; Toda, Yasunori; Kiyono, Ryotaro","Chiral Lewis Acid-Catalyzed Enantioselective Cycloadditions between Indoles and Cyclic Carbonyl Ylides Derived from Diazodiketone or Diazoketoester Derivatives.","The Journal of organic chemistry","2015","80","13","6687","6696","10.1021/acs.joc.5b00835","","","0.71073","MoKα","","0.0301","0.0264","","","0.0523","0.0533","","","","","","0.949","","","","has coordinates","140138","2020-10-21","18:00:00",""
"4031153","7.494","0.009","11.707","0.015","34.23","0.04","90","","90","","90","","3003","6","293.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N3 -","- C19 H15 N3 -","- C76 H60 N12 -","4","1","","Saikia, Pallabi; Gogoi, Sanjib; Boruah, Romesh C.","Carbon-Carbon Bond Cleavage Reaction: Synthesis of Multisubstituted Pyrazolo[1,5-a]pyrimidines.","The Journal of organic chemistry","2015","80","13","6885","6889","10.1021/acs.joc.5b00933","","","0.71075","MoKα","","","0.1085","","","","0.0896","","","","","","6.395","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031154","15.4352","0.0006","11.6815","0.0004","12.8772","0.0005","90","","109.697","0.0012","90","","2185.98","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","PRB006","","","- C31 H22 S -","- C31 H22 S -","- C124 H88 S4 -","4","1","","Röse, Philipp; Garcia, Carmen Carlota Magraner; Pünner, Florian; Harms, Klaus; Hilt, Gerhard","Cobalt-Catalyzed Cross-Benzannulation of Conjugated Enynes and Diynes.","The Journal of organic chemistry","2015","80","14","7311","7316","10.1021/acs.joc.5b01198","","","0.71073","MoKα","","0.0368","0.0331","","","0.0817","0.0843","","","","","","1.052","","","","has coordinates","152871","2020-10-21","18:00:00",""
"4031155","11.199","0.0004","12.1908","0.0004","15.6001","0.0005","84.885","0.002","73.475","0.002","67.037","0.001","1879.46","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Furopyrrole","","","- C38 H45 N O12 S -","- C38 H45 N O12 S -","- C76 H90 N2 O24 S2 -","2","1","","Ghosh, Asit; Pandey, Ashok Kumar; Banerjee, Prabal","Lewis Acid Catalyzed Annulation of Donor-Acceptor Cyclopropane and N-Tosylaziridinedicarboxylate: One-Step Synthesis of Functionalized 2H-Furo[2,3-c]pyrroles.","The Journal of organic chemistry","2015","80","14","7235","7242","10.1021/acs.joc.5b00705","","","0.71073","MoKα","","0.0783","0.0498","","","0.1164","0.1291","","","","","","1.024","","","","has coordinates","152874","2020-10-21","18:00:00",""
"4031156","4.98554","0.00007","20.3658","0.0004","21.6733","0.0003","90","","90","","90","","2200.59","0.06","293.7","0.2","293.7","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Zhang, Shuang; Luo, Yong-Chun; Hu, Xiu-Qin; Wang, Zhu-Yin; Liang, Yong-Min; Xu, Peng-Fei","Enantioselective Amine-Catalyzed [4 + 2] Annulations of Allene Ketones and 2,3-Dioxopyrrolidine Derivatives: Synthesis of 4H-Pyran Derivatives.","The Journal of organic chemistry","2015","80","14","7288","7294","10.1021/acs.joc.5b00961","","","1.5418","CuKα","","0.0391","0.0368","","","0.1032","0.1071","","","","","","1.032","","","","has coordinates","152876","2020-10-21","18:00:00",""
"4031157","15.7456","0.0009","11.6139","0.0003","14.381","0.0007","90","","115.775","0.006","90","","2368.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C96 H112 O32 -","8","2","","Mahendar, Lodi; Satyanarayana, Gedu","Domino One-Pot Process for the Synthesis of Isobenzofuran-1(3H)-ones via [Cu]-Catalysis Using Water as the Green Solvent.","The Journal of organic chemistry","2015","80","14","7089","7098","10.1021/acs.joc.5b00888","","","0.7107","MoKα","","0.147","0.0693","","","0.1808","0.2319","","","","","","1.05","","","","has coordinates","152881","2020-10-21","18:00:00",""
"4031158","12.2544","0.0012","14.9319","0.0015","18.2704","0.0017","90","","106.077","0.01","90","","3212.4","0.6","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","2","","Mahendar, Lodi; Satyanarayana, Gedu","Domino One-Pot Process for the Synthesis of Isobenzofuran-1(3H)-ones via [Cu]-Catalysis Using Water as the Green Solvent.","The Journal of organic chemistry","2015","80","14","7089","7098","10.1021/acs.joc.5b00888","","","0.7107","MoKα","","0.124817","0.063481","","","","0.188906","","","","","","1.08053","","","","has coordinates","152881","2020-10-21","18:00:00",""
"4031159","15.584","0.002","12.3431","0.0019","13.574","0.002","90","","121.346","0.001","90","","2229.9","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","Compound 5bh","","","- C23 H24 Br N2 O5.5 -","- C23 H24 Br N2 O5.5 -","- C92 H96 Br4 N8 O22 -","4","1","","Di Iorio, Nicola; Righi, Paolo; Ranieri, Silvia; Mazzanti, Andrea; Margutta, Riccardo G.; Bencivenni, Giorgio","Vinylogous Reactivity of Oxindoles Bearing Nonsymmetric 3-Alkylidene Groups.","The Journal of organic chemistry","2015","80","14","7158","7171","10.1021/acs.joc.5b01022","","","0.71073","MoKα","","0.0402","0.0356","","","0.0901","0.0929","","","","","","1.048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031161","5.7556","0.0012","9.6236","0.0019","20.198","0.004","90","","92.65","0.03","90","","1117.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Song, Lina; Tian, Xianhai; Lv, Zhigang; Li, Ertong; Wu, Jie; Liu, Yangxue; Yu, Wenquan; Chang, Junbiao","I2/KI-Mediated Oxidative N-N Bond Formation for the Synthesis of 1,5-Fused 1,2,4-Triazoles from N-Aryl Amidines.","The Journal of organic chemistry","2015","80","14","7219","7225","10.1021/acs.joc.5b01183","","","0.71073","MoKα","","0.0877","0.0714","","","0.1941","0.2074","","","","","","1.255","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031162","12.881","0.003","9.3888","0.0019","20.978","0.004","90","","90","","90","","2537","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H18 Cl4 N6 -","- C26 H18 Cl4 N6 -","- C104 H72 Cl16 N24 -","4","0.5","","Song, Lina; Tian, Xianhai; Lv, Zhigang; Li, Ertong; Wu, Jie; Liu, Yangxue; Yu, Wenquan; Chang, Junbiao","I2/KI-Mediated Oxidative N-N Bond Formation for the Synthesis of 1,5-Fused 1,2,4-Triazoles from N-Aryl Amidines.","The Journal of organic chemistry","2015","80","14","7219","7225","10.1021/acs.joc.5b01183","","","0.71073","MoKα","","0.061","0.0527","","","0.1783","0.1909","","","","","","1.337","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031167","15.15","0.004","15.15","","5.685","0.002","90","","90","","120","","1130","0.5","100","","100","","","","","","","","","3","P 31","P 31","144","","","","- C14 H22 O5 -","- C14 H22 O5 -","- C42 H66 O15 -","3","1","","Shaw, Scott A.; Balasubramanian, Balu; Bonacorsi, Samuel; Cortes, Janet Caceres; Cao, Kevin; Chen, Bang-Chi; Dai, Jun; Decicco, Carl; Goswami, Animesh; Guo, Zhiwei; Hanson, Ronald; Humphreys, W. Griffith; Lam, Patrick Y. S.; Li, Wenying; Mathur, Arvind; Maxwell, Brad D.; Michaudel, Quentin; Peng, Li; Pudzianowski, Andrew; Qiu, Feng; Su, Shun; Sun, Dawn; Tymiak, Adrienne A.; Vokits, Benjamin P.; Wang, Bei; Wexler, Ruth; Wu, Dauh-Rurng; Zhang, Yingru; Zhao, Rulin; Baran, Phil S.","Synthesis of Biologically Active Piperidine Metabolites of Clopidogrel: Determination of Structure and Analyte Development.","The Journal of organic chemistry","2015","80","14","7019","7032","10.1021/acs.joc.5b00632","","x-ray","1.54178","CuKα","","0.121","0.1168","","","0.2844","0.2944","","","","","","1.294","","","","has coordinates","152872","2020-10-21","18:00:00",""
"4031168","6.656","0.0011","15.213","0.003","8.0795","0.0014","90","","102.591","0.009","90","","798.4","0.2","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H16 Cl N O3 S -","- C16 H16 Cl N O3 S -","- C32 H32 Cl2 N2 O6 S2 -","2","1","","Shaw, Scott A.; Balasubramanian, Balu; Bonacorsi, Samuel; Cortes, Janet Caceres; Cao, Kevin; Chen, Bang-Chi; Dai, Jun; Decicco, Carl; Goswami, Animesh; Guo, Zhiwei; Hanson, Ronald; Humphreys, W. Griffith; Lam, Patrick Y. S.; Li, Wenying; Mathur, Arvind; Maxwell, Brad D.; Michaudel, Quentin; Peng, Li; Pudzianowski, Andrew; Qiu, Feng; Su, Shun; Sun, Dawn; Tymiak, Adrienne A.; Vokits, Benjamin P.; Wang, Bei; Wexler, Ruth; Wu, Dauh-Rurng; Zhang, Yingru; Zhao, Rulin; Baran, Phil S.","Synthesis of Biologically Active Piperidine Metabolites of Clopidogrel: Determination of Structure and Analyte Development.","The Journal of organic chemistry","2015","80","14","7019","7032","10.1021/acs.joc.5b00632","","","1.54184","CuKα","","0.0298","0.0288","","","0.0729","0.0834","","","","","","1.159","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031169","7.1","0.0009","13.5894","0.0018","15.327","0.002","90","","91.601","0.005","90","","1478.2","0.3","140","2","140","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C17 H15 I O2 -","- C17 H15 I O2 -","- C68 H60 I4 O8 -","4","1","","Ravindra, Barnala; Maity, Sanjay; Das, Braja Gopal; Ghorai, Prasanta","Organocatalytic, Enantioselective Synthesis of 1- and 3-Substituted Isochromans via Intramolecular Oxa-Michael Reaction of Alkoxyboronate: Synthesis of (+)-Sonepiprazole.","The Journal of organic chemistry","2015","80","14","7008","7018","10.1021/acs.joc.5b00719","","","0.71073","MoKα","","0.0228","0.0214","","","0.0714","0.074","","","","","","0.671","","","","has coordinates","152875","2020-10-21","18:00:00",""
"4031170","19.5452","0.0004","6.7915","0.00012","17.2517","0.0003","90","","90","","90","","2290.01","0.07","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H14 O2 S -","- C13 H14 O2 S -","- C104 H112 O16 S8 -","8","1","","Higashimae, Shinya; Tamai, Taichi; Nomoto, Akihiro; Ogawa, Akiya","Selective Thiolative Lactonization of Internal Alkynes Bearing a Hydroxyl Group with Carbon Monoxide and Organic Disulfides Catalyzed by Transition-Metal Complexes.","The Journal of organic chemistry","2015","80","14","7126","7133","10.1021/acs.joc.5b00977","","","0.71075","MoKα","","","0.0413","","","","0.1036","","","","","","1.144","","","","has coordinates","152879","2020-10-21","18:00:00",""
"4031178","8.4161","0.0002","13.3624","0.0003","24.8701","0.0005","90","","90","","90","","2796.87","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N O4 P -","- C32 H32 N O4 P -","- C128 H128 N4 O16 P4 -","4","1","","Zhuang, Yue; He, Yuwei; Zhou, Zihong; Xia, Wang; Cheng, Chuyu; Wang, Meng; Chen, Bin; Zhou, Zhongyuan; Pang, Jiyan; Qiu, Liqin","Synthesis of a Class of Chiral-Bridged Phosphoramidite Ligands and Their Applications in the First Iridium-Catalyzed Asymmetric Addition of Arylboronic Acids to Isatins.","The Journal of organic chemistry","2015","80","14","6968","6975","10.1021/acs.joc.5b00595","","","0.71073","MoKα","","0.0613","0.0377","","","0.0797","0.0906","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031179","6.738","0.0003","10.5506","0.0004","19.1623","0.0008","90","","99.501","0.002","90","","1343.56","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","AD-314","","","- C21 H41 N3 O4 Si2 -","- C21 H41 N3 O4 Si2 -","- C42 H82 N6 O8 Si4 -","2","1","","Diez-Martinez, Alba; Kim, Eun-Kyong; Krishnamurthy, Ramanarayanan","Hydrogen-Bonding Complexes of 5-Azauracil and Uracil Derivatives in Organic Medium.","The Journal of organic chemistry","2015","80","14","7066","7075","10.1021/acs.joc.5b00911","","","0.71073","MoKα","","0.0395","0.0359","","","0.099","0.1013","","","","","","1.009","","","","has coordinates","152880","2020-10-21","18:00:00",""
"4031188","9.998","0.002","18.421","0.004","18.701","0.004","90","","101.85","0.03","90","","3370.8","1.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl I N2 O -","- C17 H14 Cl I N2 O -","- C136 H112 Cl8 I8 N16 O8 -","8","2","","Gazzola, Silvia; Beccalli, Egle M.; Borelli, Tea; Castellano, Carlo; Chiacchio, Maria Assunta; Diamante, Daria; Broggini, Gianluigi","Copper(II)-Catalyzed Alkoxyhalogenation of Alkynyl Ureas and Amides as a Route to Haloalkylidene-Substituted Heterocycles.","The Journal of organic chemistry","2015","80","14","7226","7234","10.1021/acs.joc.5b01227","","","0.71073","MoKα","","0.0634","0.0406","","","0.11","0.1247","","","","","","0.988","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031191","7.8979","0.0002","7.0132","0.0002","27.3048","0.0009","90","","95.306","0.003","90","","1505.92","0.08","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Liu, Xianglei; Li, Bin; Gu, Zhenhua","Palladium-Catalyzed Heck-type Domino Cyclization and Carboxylation to Synthesize Carboxylic Acids by Utilizing Chloroform as the Carbon Monoxide Source.","The Journal of organic chemistry","2015","80","15","7547","7554","10.1021/acs.joc.5b01126","","","1.54184","CuKα","","0.0601","0.0508","","","0.156","0.1644","","","","","","1.078","","","","has coordinates","154691","2020-10-21","18:00:00",""
"4031266","16.7819","0.0004","9.7325","0.0003","25.9139","0.0008","90","","100.705","0.003","90","","4158.9","0.2","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H40 Cl2 N2 O14 -","- C45 H40 Cl2 N2 O14 -","- C180 H160 Cl8 N8 O56 -","4","0.5","","Du, Yu-Liu; Zhu, Yi-Fan; Han, Zhi-Yong","Pd(II)-Catalyzed Cycloisomerization/Dipolar Cycloaddition Cascade of N-Arylnitrone Alkynes with Olefins.","The Journal of organic chemistry","2015","80","15","7732","7738","10.1021/acs.joc.5b00717","","","1.54184","CuKα","","0.0761","0.068","","","0.1878","0.1967","","","","","","1.088","","","","has coordinates","154692","2020-10-21","18:00:00",""
"4031279","20.039","0.0015","5.3151","0.0004","25.268","0.002","90","","90.051","0.003","90","","2691.3","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H22 Br2 N2 O10 Se2 -","- C22 H22 Br2 N2 O10 Se2 -","- C88 H88 Br8 N8 O40 Se8 -","4","2","","Singh, Vijay P.; Poon, Jia-Fei; Butcher, Ray J.; Lu, Xi; Mestres, Gemma; Ott, Marjam Karlsson; Engman, Lars","Effect of a Bromo Substituent on the Glutathione Peroxidase Activity of a Pyridoxine-like Diselenide.","The Journal of organic chemistry","2015","80","15","7385","7395","10.1021/acs.joc.5b00797","","","0.71073","MoKα","","0.0536","0.0492","","","0.1261","0.1309","","","","","","1.085","","","","has coordinates","154682","2020-10-21","18:00:00",""
"4031280","18.5268","0.0006","8.4433","0.0004","16.9773","0.0007","90","","102.391","0.002","90","","2593.85","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br2 N2 O10 Se -","- C22 H22 Br2 N2 O10 Se -","- C88 H88 Br8 N8 O40 Se4 -","4","1","","Singh, Vijay P.; Poon, Jia-Fei; Butcher, Ray J.; Lu, Xi; Mestres, Gemma; Ott, Marjam Karlsson; Engman, Lars","Effect of a Bromo Substituent on the Glutathione Peroxidase Activity of a Pyridoxine-like Diselenide.","The Journal of organic chemistry","2015","80","15","7385","7395","10.1021/acs.joc.5b00797","","","0.71073","MoKα","","0.0759","0.0489","","","0.1056","0.1163","","","","","","1.038","","","","has coordinates","154682","2020-10-21","18:00:00",""
"4031281","6.27393","0.00018","16.0274","0.0005","20.185","0.0005","90","","90","","90","","2029.7","0.1","291","2","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br F N O2 -","- C23 H17 Br F N O2 -","- C92 H68 Br4 F4 N4 O8 -","4","1","","Duan, Shaobo; Li, Sanliang; Ye, Xinyi; Du, Nuan-Nuan; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Synthesis of Dialkylated α-Hydroxy Carboxylic Acids through Asymmetric Phase-Transfer Catalysis.","The Journal of organic chemistry","2015","80","15","7770","7778","10.1021/acs.joc.5b01081","","x-ray","1.54184","CuKα","","0.0573","0.0501","","","0.1447","0.1532","","","","","","1.019","","","","has coordinates","154688","2020-10-21","18:00:00",""
"4031282","8.1655","0.0003","15.7026","0.0005","20.6676","0.001","90","","90","","90","","2649.99","0.18","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 Br3 N3 O -","- C24 H32 Br3 N3 O -","- C96 H128 Br12 N12 O4 -","4","1","","Duan, Shaobo; Li, Sanliang; Ye, Xinyi; Du, Nuan-Nuan; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Synthesis of Dialkylated α-Hydroxy Carboxylic Acids through Asymmetric Phase-Transfer Catalysis.","The Journal of organic chemistry","2015","80","15","7770","7778","10.1021/acs.joc.5b01081","","","1.54184","CuKα","","0.033","0.0305","","","0.074","0.0758","","","","","","1.035","","","","has coordinates","154688","2020-10-21","18:00:00",""
"4031283","9.9015","0.0005","13.1057","0.0007","16.6329","0.0009","108.373","0.003","90.458","0.003","102.806","0.003","1990.33","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O5 S -","- C21 H21 N O5 S -","- C84 H84 N4 O20 S4 -","4","2","","Cheng, Cungui; Liu, Shuiyou; Zhu, Gangguo","Divergent Synthesis of 2-Aminofurans via Palladium-Catalyzed Acetoxylative, Alkoxylative, and Hydroxylative Cycloisomerization of Homoallenyl Amides.","The Journal of organic chemistry","2015","80","15","7604","7612","10.1021/acs.joc.5b01182","","","0.71073","MoKα","","","0.0811","","","0.1492","0.1735","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031284","7.6255","0.0003","9.563","0.0003","13.5894","0.0005","76.619","0.002","81.045","0.002","84.502","0.002","950.48","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C36 H50 N2 O8 S2 -","2","1","","Cheng, Cungui; Liu, Shuiyou; Zhu, Gangguo","Divergent Synthesis of 2-Aminofurans via Palladium-Catalyzed Acetoxylative, Alkoxylative, and Hydroxylative Cycloisomerization of Homoallenyl Amides.","The Journal of organic chemistry","2015","80","15","7604","7612","10.1021/acs.joc.5b01182","","","0.71073","MoKα","","0.0899","0.0626","","","0.1845","0.2045","","","","","","1.282","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031285","17.0568","0.0011","5.3536","0.0003","18.9471","0.0012","90","","114.21","0.008","90","","1577.99","0.19","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl -","- C21 H17 Cl -","- C84 H68 Cl4 -","4","1","","Xu, Shuai; Shangguan, Xianghang; Li, Huan; Zhang, Yan; Wang, Jianbo","Pd(0)-Catalyzed Cross-Coupling of 1,1-Diboronates with 2,2'-Dibromobiphenyls: Synthesis of 9H-Fluorenes.","The Journal of organic chemistry","2015","80","15","7779","7784","10.1021/acs.joc.5b01100","","","0.7107","MoKα","","0.0605","0.0436","","","0.1041","0.1177","","","","","","1.052","","","","has coordinates","154693","2020-10-21","18:00:00",""
"4031286","9.2909","0.0005","10.2262","0.0006","12.7855","0.0011","95.855","0.003","103.035","0.003","116.158","0.002","1033.68","0.13","103","2","103","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N,N-diethyl-5-nitro-2-pyrimidinamine","","","- C8 H11 Cl N4 O2 -","- C8 H11 Cl N4 O2 -","- C32 H44 Cl4 N16 O8 -","4","2","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.048","0.0476","","","0.1251","0.1256","","","","","","1.039","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031287","6.7981","0.0005","12.5573","0.0008","12.871","0.0009","115.807","0.0015","91.4548","0.0019","91.888","0.002","987.66","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-(4-Chloro-5-nitro-2-pyrimidinyl)morpholine","","","- C8 H9 Cl N4 O3 -","- C8 H9 Cl N4 O3 -","- C32 H36 Cl4 N16 O12 -","4","2","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54184","CuKα","","0.0292","0.0291","","","0.0779","0.0784","","","","","","1.074","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031288","9.0358","0.0018","18.005","0.004","6.8441","0.0014","90","","110.52","0.03","90","","1042.8","0.4","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-5-nitro-2-(1-piperidinyl)-pyrimidine","","","- C9 H11 Cl N4 O2 -","- C9 H11 Cl N4 O2 -","- C36 H44 Cl4 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54184","CuKα","","0.0395","0.0371","","","0.0936","0.0943","","","","","","1.168","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031289","4.5744","0.0001","9.2398","0.0003","28.2011","0.0008","90","","92.171","0.002","90","","1191.11","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-N-(4-chlorobutyl)-N-methyl-5-nitro-2-pyrimidinamine","","","- C9 H12 Cl2 N4 O2 -","- C9 H12 Cl2 N4 O2 -","- C36 H48 Cl8 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0323","0.0296","","","0.0846","0.0864","","","","","","1.192","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031290","5.1161","0.0001","9.4299","0.0003","13.2397","0.0004","73.055","0.001","81.356","0.001","89.632","0.001","603.6","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N-cyclohexyl-N-methyl-5-nitro-2-pyrimidinamine","","","- C11 H15 Cl N4 O2 -","- C11 H15 Cl N4 O2 -","- C22 H30 Cl2 N8 O4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.0352","0.0351","","","0.0889","0.0889","","","","","","1.204","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031291","19.71","0.011","3.775","0.002","23.807","0.014","90","","113.106","0.009","90","","1629.3","1.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-Chloro-N,N-dimethyl-5-nitro-2-pyrimidinamine","","","- C6 H7 Cl N4 O2 -","- C6 H7 Cl N4 O2 -","- C48 H56 Cl8 N32 O16 -","8","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.1102","0.0965","","","0.2263","0.232","","","","","","1.208","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031292","9.7969","0.0003","8.3719","0.0003","14.3309","0.0005","90","","108.517","0.002","90","","1114.55","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Chloro-N-methyl-N-phenyl-5-nitro-2-pyrimidinamine","","","- C11 H9 Cl N4 O2 -","- C11 H9 Cl N4 O2 -","- C44 H36 Cl4 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0378","0.0324","","","0.0942","0.0982","","","","","","1.107","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031293","6.0855","0.0003","7.9433","0.0004","10.3049","0.0005","99.743","0.003","106.984","0.003","100.825","0.003","454.42","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N-ethyl-N-methyl-5-nitro-2-pyrimidinamine","","","- C7 H9 Cl N4 O2 -","- C7 H9 Cl N4 O2 -","- C14 H18 Cl2 N8 O4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.0402","0.0389","","","0.1022","0.1033","","","","","","1.056","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031294","15.4117","0.0005","4.5895","0.0002","18.8836","0.0006","90","","97.085","0.001","90","","1325.48","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-N-benzyl-N-ethyl-5-nitro-2-pyrimidinamine","","","- C13 H13 Cl N4 O2 -","- C13 H13 Cl N4 O2 -","- C52 H52 Cl4 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0477","0.0467","","","0.1109","0.1114","","","","","","1.254","","","","has coordinates,has disorder","154687","2020-10-21","18:00:00",""
"4031295","6.9943","0.0005","7.3867","0.0005","10.468","0.0007","97.082","0.002","106.868","0.002","92.782","0.002","511.58","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","4-Chloro-2-(diethylamino)pyrimidine-5-carbonitrile","","","- C9 H11 Cl N4 -","- C9 H11 Cl N4 -","- C18 H22 Cl2 N8 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.0297","0.0294","","","0.0805","0.0807","","","","","","1.048","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031296","8.8811","0.0008","10.4187","0.0009","24.2","0.002","87.291","0.003","89.811","0.004","79.757","0.004","2201","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N,N-diethyl-5-trifluoromethyl-2-pyrimidinamine","","","- C9 H11 Cl F3 N3 -","- C9 H11 Cl F3 N3 -","- C72 H88 Cl8 F24 N24 -","8","4","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.134","0.1237","","","0.3101","0.3189","","","","","","1.11","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031297","12.0826","0.0007","14.2388","0.0008","18.9958","0.0012","90","","90","","90","","3268.1","0.3","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Ethyl 2-(4-morpholinyl)-6-propyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate","","","- C16 H22 N4 O3 -","- C16 H22 N4 O3 -","- C128 H176 N32 O24 -","8","2","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.034","0.0322","","","0.0829","0.0842","","","","","","1.032","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031298","8.9883","0.0007","9.2469","0.0007","16.0819","0.0016","99.512","0.002","94.431","0.002","110.498","0.001","1221.51","0.18","121","2","121","2","","","","","","","","5","P -1","-P 1","2","2-[[[4-[4-[(2-Diethylamino-5-nitropyrimidin-4-yl)oxy]phenoxy]phenyl] sulfonyl]methyl]thiirane","","","- C23 H24 N4 O6 S2 -","- C23 H24 N4 O6 S2 -","- C46 H48 N8 O12 S4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0526","0.0433","","","0.1153","0.1223","","","","","","1.03","","","","has coordinates,has disorder","154687","2020-10-21","18:00:00",""
"4031299","6.2113","0.0011","12.992","0.002","16.159","0.003","68.49","0.003","87.806","0.003","83.013","0.004","1204.1","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","2-[[[4-[4-[(2-Diethylamino-5-nitropyrimidin-4-yl)amino] phenoxy]phenyl]sulfonyl]methyl]thiirane","","","- C23 H25 N5 O5 S2 -","- C23 H25 N5 O5 S2 -","- C46 H50 N10 O10 S4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0776","0.0474","","","0.1042","0.1171","","","","","","1.015","","","","has coordinates,has disorder","154687","2020-10-21","18:00:00",""
"4031300","6.6511","0.0004","30.2073","0.0018","12.8484","0.0008","90","","102.15","0.004","90","","2523.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-phenyl-3,4-bis(p-tolylselanyl)-1-oxaspiro[4.5]dec-3-ene","2-phenyl-3,4-bis(p-tolylselanyl)-1-oxaspiro[4.5]dec-3-ene","","- C29 H30 O Se2 -","- C29 H30 O Se2 -","- C116 H120 O4 Se8 -","4","1","","Casola, Kamila K.; Back, Davi F.; Zeni, Gilson","Iron-Catalyzed Cyclization of Alkynols with Diorganyl Diselenides: Synthesis of 2,5-Dihydrofuran, 3,6-Dihydro-2H-pyran, and 2,5-Dihydro-1H-pyrrole Organoselanyl Derivatives.","The Journal of organic chemistry","2015","80","15","7702","7712","10.1021/acs.joc.5b01448","","","0.71073","MoKα","","0.0868","0.0415","","","0.0971","0.1255","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031307","6.9872","0.0007","11.6575","0.0012","11.8586","0.0012","90","","90","","90","","965.92","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Ramesh, Remya; Bell, Vaughn; Twidle, Andrew M.; Gonnade, Rajesh; Reddy, D. Srinivasa","Enantiospecific Synthesis of Both Enantiomers of the Longtailed Mealybug Pheromone and Their Evaluation in a New Zealand Vineyard.","The Journal of organic chemistry","2015","80","15","7785","7789","10.1021/acs.joc.5b01131","","","0.71073","MoKα","","0.0356","0.0329","","","0.0806","0.0824","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031308","6.874","0.001","7.057","0.001","21.567","0.004","95.44","0.03","96.09","0.03","110.21","0.03","966.5","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H24 B F4 N3 O -","- C19 H24 B F4 N3 O -","- C38 H48 B2 F8 N6 O2 -","2","2","","Rafiński, Zbigniew; Kozakiewicz, Anna","Enantioselective Synthesis of Chromanones Bearing Quaternary Substituted Stereocenters Catalyzed by (1R)-Camphor-Derived N-Heterocyclic Carbenes.","The Journal of organic chemistry","2015","80","15","7468","7476","10.1021/acs.joc.5b01029","","","0.71073","MoKα","","0.1616","0.0942","","","0.2468","0.304","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031309","8.2204","0.001","7.1959","0.0009","26.743","0.003","90","","92.96","0.002","90","","1579.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9,10-dimethoxy-4,5-dihydrobenzo[l]acephenanthrylene","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0794","0.0449","","","0.1068","0.1249","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031310","26.103","0.019","9.905","0.007","4.977","0.004","90","","90","","90","","1286.8","1.7","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","benzo[l]acephenanthrylene","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0711","0.0376","","","0.0822","0.0966","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031311","5.8248","0.0002","14.0599","0.0004","14.9651","0.0005","90","","90","","90","","1225.58","0.07","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","5-methylbenzo[c]phenanthrene","","- C19 H14 -","- C19 H14 -","- C76 H56 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","1.54178","CuKα","","0.0294","0.0291","","","0.0762","0.0766","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031312","7.7302","0.0007","8.0355","0.0007","21.3019","0.0018","90","","96.058","0.001","90","","1315.8","0.2","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","4,5-dihydrobenzo[l]acephenanthrylene","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0513","0.0409","","","0.1056","0.1136","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031313","11.9858","0.0011","14.5862","0.0014","8.9045","0.0008","90","","97.01","0.001","90","","1545.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-dimethoxy-8-methylbenzo[c]phenanthrene","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0511","0.0391","","","0.1066","0.1169","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031314","6.84","","8.619","","11.394","","99.62","","92.49","","91.05","","661.427","","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 N2 O S -","- C16 H10 N2 O S -","- C32 H20 N4 O2 S2 -","2","1","","Hayes, Colin O.; Bell, William K.; Cassidy, Benjamin R.; Willson, C. Grant","Synthesis and Characterization of a Two Stage, Nonlinear Photobase Generator.","The Journal of organic chemistry","2015","80","15","7530","7535","10.1021/acs.joc.5b01078","","","0.71075","MoKα","","0.0591","0.0497","","","0.1239","0.1279","","","","","","0.944","","","","has coordinates","154683","2020-10-21","18:00:00",""
"4031315","10.1197","0.0003","10.3678","0.0003","17.2578","0.0005","90","","102.59","0.003","90","","1767.13","0.09","291","2","291.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Pi, Chao; Cui, Xiuling; Wu, Yangjie","Iridium-Catalyzed Direct C-H Sulfamidation of Aryl Nitrones with Sulfonyl Azides at Room Temperature.","The Journal of organic chemistry","2015","80","15","7333","7339","10.1021/acs.joc.5b01377","","","1.54184","CuKα","","0.0511","0.0429","","","0.1162","0.1234","","","","","","1.029","","","","has coordinates","154685","2020-10-21","18:00:00",""
"4031316","5.789","0.0004","11.4354","0.0009","23.674","0.003","90","","90","","90","","1567.2","0.3","100.2","","100.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 F -","- C24 H15 F -","- C96 H60 F4 -","4","1","","Guo, Biao; Zhou, Yiming; Zhang, Lei; Hua, Ruimao","Brønsted Acid-Promoted One-Pot Synthesis of Chrysene Derivatives via Isochromenylium Intermediate Formed in Situ.","The Journal of organic chemistry","2015","80","15","7635","7641","10.1021/acs.joc.5b01219","","","0.7107","MoKα","","0.0443","0.0381","","","0.079","0.0829","","","","","","1.055","","","","has coordinates","154680","2020-10-21","18:00:00",""
"4031317","9.5933","0.001","10.9297","0.0012","11.8168","0.0014","103.578","0.002","103.645","0.002","101.554","0.002","1126.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C58 H44 N4 O4 -","2","1","","Li, Peiyuan; Zhang, Xinying; Fan, Xuesen","Synthesis of Naphtho[1',2':4,5]imidazo[1,2-a]pyridines and Imidazo[5,1,2-cd]indolizines Through Pd-Catalyzed Cycloaromatization of 2-Phenylimidazo[1,2-a]pyridines with Alkynes.","The Journal of organic chemistry","2015","80","15","7508","7518","10.1021/acs.joc.5b01092","","","0.71073","MoKα","","0.0709","0.0445","","","0.1049","0.1208","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031318","10.5565","0.0016","9.6319","0.0015","20.534","0.003","90","","100.558","0.003","90","","2052.5","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Li, Peiyuan; Zhang, Xinying; Fan, Xuesen","Synthesis of Naphtho[1',2':4,5]imidazo[1,2-a]pyridines and Imidazo[5,1,2-cd]indolizines Through Pd-Catalyzed Cycloaromatization of 2-Phenylimidazo[1,2-a]pyridines with Alkynes.","The Journal of organic chemistry","2015","80","15","7508","7518","10.1021/acs.joc.5b01092","","","0.71073","MoKα","","0.1096","0.0494","","","0.1115","0.1389","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031319","15.8651","0.0005","15.8651","0.0005","15.0224","0.0005","90","","90","","120","","3274.58","0.18","296","2","296","2","","","","","","","","4","P -3","-P 3","147","ye218","","","- C22 H24 N2 O4.4 -","- C22 H24 N2 O4.5 -","- C132 H144 N12 O27 -","6","1","","Xuan, Zi; Kim, Ju Hyun; Lee, Sang-Gi","Tandem Blaise/Palladium-Catalyzed Ullmann Coupling for the One-Pot Synthesis of Enamino Ester-Functionalized Biaryls from Nitriles.","The Journal of organic chemistry","2015","80","15","7824","7829","10.1021/acs.joc.5b01375","","","0.71073","","","0.1913","0.072","","","0.1744","0.2404","","","","","","0.95","","","","has coordinates","154690","2020-10-21","18:00:00",""
"4031320","14.4913","0.0004","8.9886","0.0002","15.3931","0.0004","90","","107.536","0.0012","90","","1911.87","0.08","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","SKL-20150302","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","0.5","","Xuan, Zi; Kim, Ju Hyun; Lee, Sang-Gi","Tandem Blaise/Palladium-Catalyzed Ullmann Coupling for the One-Pot Synthesis of Enamino Ester-Functionalized Biaryls from Nitriles.","The Journal of organic chemistry","2015","80","15","7824","7829","10.1021/acs.joc.5b01375","","","0.71073","","","0.0635","0.0498","","","0.1284","0.1392","","","","","","1.043","","","","has coordinates","154690","2020-10-21","18:00:00",""
"4031321","11.829","0.004","11.851","0.003","13.944","0.004","91.376","0.0007","112.221","0.004","106.673","0.004","1714","0.9","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 N2 O2 -","- C44 H29 N2 O2 -","- C88 H58 N4 O4 -","2","1","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.0674","","","","0.2062","","","","","","1.123","","","","has coordinates","154695","2020-10-21","18:00:00",""
"4031322","14.404","0.004","40.3302","0.001","14.91","0.004","90","","113.081","0.004","90","","7968","3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H40 N2 O2.5 -","- C48.5 H38 N2 O2.5 -","- C388 H304 N16 O20 -","8","2","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.0987","","","","0.2472","","","","","","1.119","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031323","32.283","0.006","32.283","0.006","21.372","0.004","90","","90","","120","","19290","6","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50.67 H38.67 Cl2 N2 O2 -","- C50.6667 H38 Cl2 N2 O2 -","- C912 H684 Cl36 N36 O36 -","18","1","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.1321","","","","0.2491","","","","","","1.595","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031324","13.226","0.004","20.839","0.006","12.674","0.004","90","","91.091","0.004","90","","3492.5","1.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 N2 O2 -","- C46 H38 N2 O2 -","- C184 H152 N8 O8 -","4","1","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.0629","","","","0.1481","","","","","","1.054","","","","has coordinates","154695","2020-10-21","18:00:00",""
"4031325","12.9987","0.0008","10.6699","0.0006","14.9873","0.0009","90","","101.916","0.002","90","","2033.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O2 -","- C25.91 H25.775 N2 O1.955 -","- C103.64 H103.1 N8 O7.82 -","4","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","0.71073","MoKα","","0.0938","0.0543","","","0.1121","0.1258","","","","","","1.03","","","","has coordinates,has disorder","154679","2020-10-21","18:00:00",""
"4031326","8.1742","0.0011","9.0503","0.0012","15.703","0.002","85.672","0.006","75.381","0.006","74.812","0.006","1084.8","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H26 F2 N2 O2 -","- C27 H26 F2 N2 O2 -","- C54 H52 F4 N4 O4 -","2","2","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","1.54178","CuKα","","0.0662","0.0648","","","0.1744","0.1764","","","","","","1.1","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031327","8.7419","0.0005","14.4943","0.0008","18.8475","0.0011","90","","99.519","0.002","90","","2355.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 F6 N2 O2 -","- C27 H22 F6 N2 O2 -","- C108 H88 F24 N8 O8 -","4","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","1.54178","CuKα","","0.031","0.03","","","0.0749","0.0762","","","","","","1.066","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031328","8.2724","0.0008","30.084","0.003","8.9736","0.0009","90","","103.993","0.003","90","","2167","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H28 N2 O2 -","- C27 H28 N2 O2 -","- C108 H112 N8 O8 -","4","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","0.71073","MoKα","","0.0366","0.0349","","","0.0902","0.0918","","","","","","1.038","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031329","7.1474","0.0004","9.7769","0.0005","10.0809","0.0006","67.2457","0.0017","86.5387","0.0019","78.9053","0.0018","637.4","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H7 Br F6 O2 -","- C11 H7 Br F6 O2 -","- C22 H14 Br2 F12 O4 -","2","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","1.54178","CuKα","","0.0353","0.0348","","","0.0903","0.0906","","","","","","1.138","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031330","12.1076","0.0002","9.1845","0.0002","11.6826","0.0002","90","","96.033","0.0012","90","","1291.94","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Tharra, Prabhakararao; Baire, Beeraiah","Mild Approach to 2-Acylfurans via Intercepted Meyer-Schuster Rearrangement of 6-Hydroxyhex-2-en-4-ynals.","The Journal of organic chemistry","2015","80","16","8314","8328","10.1021/acs.joc.5b01420","","","0.71073","MoKα","","0.051","0.0438","","","0.1146","0.122","","","","","","1.024","","","","has coordinates","154698","2020-10-21","18:00:00",""
"4031331","7.20516","0.00013","10.1306","0.0002","19.4721","0.0003","90","","90","","90","","1421.32","0.04","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C64 H64 Cl4 N12 O4 -","4","1","","Wauters, I.; Goossens, H.; Delbeke, E.; Muylaert, K.; Roman, B. I.; Van Hecke, K.; Van Speybroeck, V.; Stevens, C. V.","Beyond the Diketopiperazine Family with Alternatively Bridged Brevianamide F Analogues.","The Journal of organic chemistry","2015","80","16","8046","8054","10.1021/acs.joc.5b01161","","","1.5418","CuKα","","0.0286","0.0273","","","0.0705","0.0716","","","","","","1.032","","","","has coordinates","154704","2020-10-21","18:00:00",""
"4031332","15.3163","0.0006","10.7987","0.0004","24.928","0.0012","90","","90","","90","","4123","0.3","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H26 Fe O3 -","- C25 H26 Fe O3 -","- C200 H208 Fe8 O24 -","8","1","","He, Congfa; Wang, Jie; Gu, Zhenhua","BF3·OEt2-Promoted Synthesis of 2,3-Metallocenocyclohexanones: A 1,2-Hydride Shift and Cationic Cyclization Strategy.","The Journal of organic chemistry","2015","80","16","7865","7875","10.1021/acs.joc.5b01511","","","0.71073","MoKα","","0.0768","0.0435","","","0.1164","0.1449","","","","","","1.063","","","","has coordinates","154699","2020-10-21","18:00:00",""
"4031333","8.4016","0.0005","9.9253","0.0006","10.5431","0.0007","90","","97.2928","0.0009","90","","872.06","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Bulman Page, Philip C.; Pearce, Christopher A.; Chan, Yohan; Parker, Phillip; Buckley, Benjamin R.; Rassias, Gerasimos A.; Elsegood, Mark R. J.","Atropo- and Diastereoselective Construction of Tetracyclic Biphenylazepinium Salts Derived from Aminoalcohols: Use as Catalysts in Enantioselective Asymmetric Epoxidation.","The Journal of organic chemistry","2015","80","16","8036","8045","10.1021/acs.joc.5b01157","","","0.71073","MoKα","","0.0407","0.0368","","","0.0868","0.09","","","","","","1.03","","","","has coordinates","154700","2020-10-21","18:00:00",""
"4031334","8.5648","0.0004","9.8551","0.0005","11.1777","0.0005","90","","98.4207","0.0007","90","","933.3","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O -","- C24 H23 N O -","- C48 H46 N2 O2 -","2","1","","Bulman Page, Philip C.; Pearce, Christopher A.; Chan, Yohan; Parker, Phillip; Buckley, Benjamin R.; Rassias, Gerasimos A.; Elsegood, Mark R. J.","Atropo- and Diastereoselective Construction of Tetracyclic Biphenylazepinium Salts Derived from Aminoalcohols: Use as Catalysts in Enantioselective Asymmetric Epoxidation.","The Journal of organic chemistry","2015","80","16","8036","8045","10.1021/acs.joc.5b01157","","","0.71073","MoKα","","0.049","0.0442","","","0.1144","0.1185","","","","","","1.082","","","","has coordinates","154700","2020-10-21","18:00:00",""
"4031335","17.079","0.004","9.87","0.002","23.448","0.006","90","","109.51","0.03","90","","3725.7","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N3 S -","- C22 H19 N3 S -","- C176 H152 N24 S8 -","8","1","","Sun, Jun; Qiu, Jiang-Kai; Zhu, Yi-Long; Guo, Cheng; Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang","Metal-Free Iodine-Catalyzed Synthesis of Fully Substituted Pyrazoles and Its Sulphenylation.","The Journal of organic chemistry","2015","80","16","8217","8224","10.1021/acs.joc.5b01280","","","0.71073","MoKα","","0.2014","0.0747","","","0.0906","0.1334","","","","","","0.97","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031336","15.3818","0.0004","6.9603","0.0002","15.6549","0.0004","90","","119.293","0.001","90","","1461.73","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2,6-dibromo-4-(2,4-dinitrostyryl)phenol","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","1","","Stock, Rafaela I.; Nandi, Leandro G.; Nicoleti, Celso R.; Schramm, Adriana D. S.; Meller, Sheila L.; Heying, Renata S.; Coimbra, Daniel F.; Andriani, Karla F.; Caramori, Giovanni F.; Bortoluzzi, Adailton J.; Machado, Vanderlei G.","Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes.","The Journal of organic chemistry","2015","80","16","7971","7983","10.1021/acs.joc.5b00983","","","0.71073","MoKα","","0.0448","0.0279","","","0.0624","0.0682","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031337","17.2796","0.0004","7.1834","0.0002","14.5636","0.0003","90","","94.517","0.001","90","","1802.11","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2,6-dichloro-4-(2,4-dinitrostyryl)phenol","","- C17 H14 Cl2 N2 O6 -","- C17 H14 Cl2 N2 O6 -","- C68 H56 Cl8 N8 O24 -","4","1","","Stock, Rafaela I.; Nandi, Leandro G.; Nicoleti, Celso R.; Schramm, Adriana D. S.; Meller, Sheila L.; Heying, Renata S.; Coimbra, Daniel F.; Andriani, Karla F.; Caramori, Giovanni F.; Bortoluzzi, Adailton J.; Machado, Vanderlei G.","Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes.","The Journal of organic chemistry","2015","80","16","7971","7983","10.1021/acs.joc.5b00983","","","0.71073","MoKα","","0.042","0.0341","","","0.092","0.0989","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031338","6.9348","0.0002","7.8591","0.0002","15.3115","0.0003","81.896","0.001","77.827","0.001","64.116","0.001","732.76","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-6,-dimehyl-4-(2,4-dinitrostyryl)phenol","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Stock, Rafaela I.; Nandi, Leandro G.; Nicoleti, Celso R.; Schramm, Adriana D. S.; Meller, Sheila L.; Heying, Renata S.; Coimbra, Daniel F.; Andriani, Karla F.; Caramori, Giovanni F.; Bortoluzzi, Adailton J.; Machado, Vanderlei G.","Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes.","The Journal of organic chemistry","2015","80","16","7971","7983","10.1021/acs.joc.5b00983","","","0.71073","MoKα","","0.0715","0.0561","","","0.1736","0.1918","","","","","","1.068","","","","has coordinates","154697","2020-10-21","18:00:00",""
"4031339","5.839","0.0011","7.548","0.0014","24.921","0.005","90","","90","","90","","1098.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C48 H40 Br4 N4 O4 -","4","1","","Zhang, Lijun; Tu, Bing; Ge, Min; Li, Yimei; Chen, Liangyu; Wang, Wei; Zhou, Shuangliu","Asymmetric Addition of Pyridyl Aluminum Reagents to Aldehydes Catalyzed by a Titanium(IV) Catalytic System of (R)-H8-BINOLate.","The Journal of organic chemistry","2015","80","16","8307","8313","10.1021/acs.joc.5b01410","","","0.71073","MoKα","","0.0614","0.0404","","","0.0999","0.1087","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031340","22.518","0.005","6.2369","0.0011","21.082","0.005","90","","109.938","0.007","90","","2783.3","1","267.5","","267.5","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 O3 -","- C19 H12 O3 -","- C152 H96 O24 -","8","1","","Kang, Byungsoo; Lee, Min Hyung; Kim, Mijung; Hwang, Jungwoon; Kim, Hyeong Baik; Chi, Dae Yoon","Transition-Metal-Free Synthesis of 2-Substituted Methyl Benzo[b]furan-3-carboxylates.","The Journal of organic chemistry","2015","80","16","8254","8261","10.1021/acs.joc.5b01311","","","0.71073","MoKα","","0.0694","0.0426","","","0.0917","0.1038","","","","","","1.051","","","","has coordinates","154705","2020-10-21","18:00:00",""
"4031341","17.2205","0.0017","14.5659","0.0013","12.0921","0.0011","90","","116.552","0.002","90","","2713.2","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H27 N3 O2 -","- C34 H27 N3 O2 -","- C136 H108 N12 O8 -","4","1","","Wang, Jian-Jun; Feng, Xian; Xun, Zhan; Shi, Da-Qing; Huang, Zhi-Bin","Multicomponent Strategy to Pyrazolo[3,4-e]indolizine Derivatives under Microwave Irradiation.","The Journal of organic chemistry","2015","80","16","8435","8442","10.1021/acs.joc.5b01314","","","0.71073","MoKα","","0.1534","0.0768","","","0.1879","0.218","","","","","","1.12","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031342","15.3429","0.0008","6.5112","0.0004","18.447","0.0009","90","","104.72","0.005","90","","1782.38","0.17","150.02","0.1","150.02","0.1","","","","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","PhBTP","2,6-bis(6-phenyl-1,2,4-triazin-3-yl)pyridine","","- C23 H15 N7 -","- C23 H15 N7 -","- C92 H60 N28 -","4","0.5","","Coogan, Niall T.; Chimes, Michael A.; Raftery, James; Mocilac, Pavle; Denecke, Melissa A.","Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines.","The Journal of organic chemistry","2015","80","17","8684","8693","10.1021/acs.joc.5b01380","","x-ray","0.71073","MoKα","","0.0571","0.0445","","","0.1136","0.1225","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031343","26.786","0.003","6.1087","0.0005","32.53","0.004","90","","97.922","0.01","90","","5272","1","150.03","0.1","150.03","0.1","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","PhBTPhen","2,9-bis(6-phenyl-1,2,4-triazin-3-yl)-1,10-phenanthroline","","- C33 H25 N9 O -","- C33 H25 N8.922 O -","- C264 H200 N71.376 O8 -","8","1","","Coogan, Niall T.; Chimes, Michael A.; Raftery, James; Mocilac, Pavle; Denecke, Melissa A.","Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines.","The Journal of organic chemistry","2015","80","17","8684","8693","10.1021/acs.joc.5b01380","","x-ray","0.71073","MoKα","","0.1463","0.1048","","","0.2177","0.2377","","","","","","1.183","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031344","8.2989","0.0004","10.3062","0.0005","10.3246","0.0005","72.166","0.005","86.199","0.004","73.29","0.004","804.9","0.07","100","2","100","2","","","","","","","synthesis","4","P -1","-P 1","2","E-INPH","(1E,2E)-2-hydrazono-1-phenylethanone oxime","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C32 H36 N12 O4 -","4","2","","Coogan, Niall T.; Chimes, Michael A.; Raftery, James; Mocilac, Pavle; Denecke, Melissa A.","Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines.","The Journal of organic chemistry","2015","80","17","8684","8693","10.1021/acs.joc.5b01380","","x-ray","1.54184","CuKα","","0.0443","0.0388","","","0.1045","0.1101","","","","","","1.046","","","","has coordinates","154712","2020-10-21","18:00:00",""
"4031345","8.6796","0.0008","9.6049","0.0009","10.2306","0.0009","64.897","0.001","77.044","0.001","70.121","0.001","723.1","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H0 I -","- C20 H13 I -","- C40 H26 I2 -","2","1","","Pati, Kamalkishore; Michas, Christopher; Allenger, David; Piskun, Ilya; Coutros, Peter S.; Gomes, Gabriel Dos Passos; Alabugin, Igor V.","Synthesis of Functionalized Phenanthrenes via Regioselective Oxidative Radical Cyclization.","The Journal of organic chemistry","2015","80","23","11706","11717","10.1021/acs.joc.5b01014","","","0.71073","MoKα","","0.02","0.0192","","","0.0499","0.0504","","","","","","1.067","","","","has coordinates","170819","2020-10-21","18:00:00",""
"4031346","8.9434","0.0003","14.4008","0.0004","12.7837","0.0004","90","","93.624","0.002","90","","1643.15","0.09","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","2","","You, Yong; Wu, Zhi-Jun; Wang, Zhen-Hua; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Enantioselective Synthesis of 3,3-Disubstituted Oxindoles Bearing Two Different Heteroatoms at the C3 Position by Organocatalyzed Sulfenylation and Selenenylation of 3-Pyrrolyl-oxindoles.","The Journal of organic chemistry","2015","80","16","8470","8477","10.1021/acs.joc.5b01491","","","0.71073","MoKα","","0.046","0.0367","","","0.0825","0.0878","","","","","","1.024","","","","has coordinates","154696","2020-10-21","18:00:00",""
"4031347","6.0708","0.0003","16.5232","0.001","15.1156","0.0009","90","","95.019","0.002","90","","1510.42","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 B F4 N -","- C17 H16 B F4 N -","- C68 H64 B4 F16 N4 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.0775","0.047","","","0.1068","0.1229","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031348","12.5113","0.0008","7.8864","0.0005","16.105","0.001","90","","102.199","0.0017","90","","1553.19","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 B F4 N O -","- C17 H16 B F4 N O -","- C68 H64 B4 F16 N4 O4 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.065","0.0512","","","0.1119","0.1193","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031349","14.1238","0.0006","7.9707","0.0004","15.8261","0.0007","90","","109.116","0.0013","90","","1683.4","0.13","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 B F4 N2 -","- C19 H17 B F4 N2 -","- C76 H68 B4 F16 N8 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.0524","0.0355","","","0.0809","0.0884","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031350","7.6174","0.0004","8.8763","0.0005","15.4323","0.0007","90","","117.703","0.002","90","","923.83","0.08","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C21 H21 B F4 N2 -","- C21 H21 B F4 N2 -","- C42 H42 B2 F8 N4 -","2","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.033","0.0308","","","0.0779","0.0798","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031351","9.3452","0.0006","8.5145","0.0005","16.845","0.0011","90","","105.795","0.0019","90","","1289.74","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.0534","0.0413","","","0.1045","0.1127","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031354","9.6233","0.0007","10.8425","0.0005","14.8348","0.0011","70.176","0.005","72.274","0.006","76.538","0.005","1372.44","0.17","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 Si3 -","- C28 H36 Si3 -","- C56 H72 Si6 -","2","1","","Wei, Baosheng; Li, Heng; Yin, Jianhao; Zhang, Wen-Xiong; Xi, Zhenfeng","Reaction of Dilithio Reagents with PhSiH3: Formation of Siloles and 3-Silacyclopentenes.","The Journal of organic chemistry","2015","80","17","8758","8762","10.1021/acs.joc.5b01595","","","0.71073","MoKα","","0.0748","0.0478","","","0.1065","0.1231","","","","","","1.04","","","","has coordinates","154713","2020-10-21","18:00:00",""
"4031355","8.7839","0.0005","9.3731","0.0006","13.6419","0.001","90","","107.534","0.002","90","","1070.99","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O -","- C14 H16 O -","- C56 H64 O4 -","4","1","","Wang, Junpeng; Kouznetsova, Tatiana B.; Niu, Zhenbin; Rheingold, Arnold L.; Craig, Stephen L.","Accelerating a Mechanically Driven anti-Woodward-Hoffmann Ring Opening with a Polymer Lever Arm Effect.","The Journal of organic chemistry","2015","80","23","11895","11898","10.1021/acs.joc.5b01465","","","0.71073","MoKα","","0.0927","0.0655","","","0.1643","0.1828","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031356","9.766","0.005","9.766","0.005","51.01","0.02","90","","90","","90","","4865","4","273","2","273","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C208 H216 N8 O40 -","8","1","","Zheng, Jianfeng; Lin, Lili; Fu, Kai; Zheng, Haifeng; Liu, Xiaohua; Feng, Xiaoming","Synthesis of Optically Pure Spiro[cyclohexane-oxindoline] Derivatives via Catalytic Asymmetric Diels-Alder Reaction of Brassard-Type Diene with Methyleneindolines.","The Journal of organic chemistry","2015","80","17","8836","8842","10.1021/acs.joc.5b01318","","","0.71073","MoKα","","0.0955","0.0635","","","0.1669","0.1886","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031357","12.797","0.003","7.8816","0.0016","15.067","0.003","90","","100.95","0.03","90","","1492","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Jiang, Huanfeng; Yang, Jidan; Tang, Xiaodong; Li, Jianxiao; Wu, Wanqing","Cu-Catalyzed Three-Component Cascade Annulation Reaction: An Entry to Functionalized Pyridines.","The Journal of organic chemistry","2015","80","17","8763","8771","10.1021/acs.joc.5b01621","","","0.71073","MoKα","","0.0697","0.043","","","0.1264","0.1709","","","","","","1.049","","","","has coordinates","154714","2020-10-21","18:00:00",""
"4031360","17.0691","0.0013","7.8183","0.0004","20.8356","0.0016","90","0.0007","112.602","0.0008","90","0.0007","2567","0.3","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C33 H28 N4 O -","- C33 H28 N4 O -","- C132 H112 N16 O4 -","4","1","","Kato, Shin-Ichiro; Yamada, Yuji; Hiyoshi, Hidetaka; Umezu, Kazuto; Nakamura, Yosuke","Series of Carbazole-Pyrimidine Conjugates: Syntheses and Electronic, Photophysical, and Electrochemical Properties.","The Journal of organic chemistry","2015","80","18","9076","9090","10.1021/acs.joc.5b01409","","","0.7107","MoKα","","0.0551","0.053","","","0.1574","0.1596","","","","","","1.151","","","","has coordinates","160548","2020-10-21","18:00:00",""
"4031361","10.8505","0.0008","23.1924","0.0011","13.1895","0.0009","90","0.0007","100.181","0.0007","90","0.0007","3266.9","0.4","168","2","168","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cl2 N4 O2 S -","- C38 H30 Cl2 N4 O2 S -","- C152 H120 Cl8 N16 O8 S4 -","4","1","","Kato, Shin-Ichiro; Yamada, Yuji; Hiyoshi, Hidetaka; Umezu, Kazuto; Nakamura, Yosuke","Series of Carbazole-Pyrimidine Conjugates: Syntheses and Electronic, Photophysical, and Electrochemical Properties.","The Journal of organic chemistry","2015","80","18","9076","9090","10.1021/acs.joc.5b01409","","","0.7107","MoKα","","0.0816","0.08","","","0.1404","0.1411","","","","","","1.283","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031362","11.017","0.002","10.63","0.002","14.191","0.003","90","","94.18","0.03","90","","1657.5","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C80 H60 N12 O8 -","4","1","","Wan, Jie-Ping; Cao, Shuo; Liu, Yunyun","A Metal- and Azide-Free Multicomponent Assembly toward Regioselective Construction of 1,5-Disubstituted 1,2,3-Triazoles.","The Journal of organic chemistry","2015","80","18","9028","9033","10.1021/acs.joc.5b01121","","","0.71073","MoKα","","0.0743","0.0433","","","0.1032","0.1529","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031487","6.2831","0.0003","11.0852","0.0006","21.113","0.0011","90","","92.069","0.003","90","","1469.55","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl2 N3 S -","- C14 H9 Cl2 N3 S -","- C56 H36 Cl8 N12 S4 -","4","1","","Gogoi, Anupal; Guin, Srimanta; Rajamanickam, Suresh; Rout, Saroj Kumar; Patel, Bhisma K.","Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond Over C-S Bond Formation.","The Journal of organic chemistry","2015","80","18","9016","9027","10.1021/acs.joc.5b00956","","","0.71073","MoKα","","0.088","0.0567","","","0.1652","0.1814","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031488","5.9017","0.0002","14.1916","0.0004","16.0475","0.0004","90","","92.732","0.002","90","","1342.52","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","","Gogoi, Anupal; Guin, Srimanta; Rajamanickam, Suresh; Rout, Saroj Kumar; Patel, Bhisma K.","Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond Over C-S Bond Formation.","The Journal of organic chemistry","2015","80","18","9016","9027","10.1021/acs.joc.5b00956","","","0.71073","MoKα","","0.0653","0.0454","","","0.1489","0.1631","","","","","","1.121","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031489","14.36","0.003","14.521","0.003","18.49","0.004","96.865","0.006","102.787","0.006","103.857","0.005","3589.4","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C145.43 H137.07 Cl17.36 N18 O3.21 Zn2 -","- C145.428 H137.07 Cl17.358 N18 O3.214 Zn2 -","- C145.428 H137.07 Cl17.358 N18 O3.214 Zn2 -","1","0.5","","Ding, Huimin; Wu, Xiaojun; Zeller, Matthias; Xie, Yunpeng; Wang, Cheng","Controllable Synthesis of Covalent Porphyrinic Cages with Varying Sizes via Template-Directed Imine Condensation Reactions.","The Journal of organic chemistry","2015","80","18","9360","9364","10.1021/acs.joc.5b01781","","","0.71073","MoKα","","0.2515","0.099","","","0.1919","0.2415","","","","","","1.006","","","","has coordinates,has disorder","160549","2020-10-21","18:00:00",""
"4031490","14.171","0.003","14.945","0.003","17.378","0.003","93.35","0.03","111.87","0.03","115.3","0.03","2982.2","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C117.72 H89.72 Cl17.16 N18 Zn2 -","- C117.72 H89.72 Cl17.16 N18 Zn2 -","- C117.72 H89.72 Cl17.16 N18 Zn2 -","1","0.5","","Ding, Huimin; Wu, Xiaojun; Zeller, Matthias; Xie, Yunpeng; Wang, Cheng","Controllable Synthesis of Covalent Porphyrinic Cages with Varying Sizes via Template-Directed Imine Condensation Reactions.","The Journal of organic chemistry","2015","80","18","9360","9364","10.1021/acs.joc.5b01781","","","0.72","synchrotron","","0.1113","0.0819","","","0.2381","0.2696","","","","","","1.047","","","","has coordinates,has disorder","160549","2020-10-21","18:00:00",""
"4031504","8.7135","0.0003","13.2562","0.0004","14.5624","0.0005","90","","105.533","0.004","90","","1620.64","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 F3 -","- C20 H21 F3 -","- C80 H84 F12 -","4","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Acid-Promoted Reaction of Trifluoromethylated Allyl Alcohols with Arenes. Stereoselective Synthesis of CF3-Alkenes and CF3-Indanes.","The Journal of organic chemistry","2015","80","19","9506","9517","10.1021/acs.joc.5b01398","","","1.54184","CuKα","","0.0517","0.0415","","","0.0918","0.0995","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031525","7.5626","0.0004","8.2241","0.0004","11.3238","0.0006","92.818","0.001","104.129","0.002","113.802","0.001","616.18","0.06","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Cl N2 O3 -","- C13 H11 Cl N2 O3 -","- C26 H22 Cl2 N4 O6 -","2","1","","Provencher, Philip A.; Love, Jennifer A.","Synthesis and Performance of a Biomimetic Indicator for Alkylating Agents.","The Journal of organic chemistry","2015","80","19","9603","9609","10.1021/acs.joc.5b01584","","","0.71069","MoKα","","0.0405","0.0364","","","0.095","0.0983","","","","","","1.042","","","","has coordinates","160552","2020-10-21","18:00:00",""
"4031526","9.201","0.0018","9.605","0.0019","9.688","0.0019","105.73","0.03","101.83","0.03","107.8","0.03","744.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Br N2 O -","- C17 H16 Br N2 O -","- C34 H32 Br2 N4 O2 -","2","1","","Chang, Yong-Zhi; Li, Ming-Lei; Zhao, Wen-Feng; Wen, Xiaoan; Sun, Hongbin; Xu, Qing-Long","Construction of Oxadiazepines via Lewis Acid-Catalyzed Tandem 1,5-Hydride Shift/Cyclization.","The Journal of organic chemistry","2015","80","19","9620","9627","10.1021/acs.joc.5b01609","","","0.71073","MoKα","","0.1188","0.068","","","0.1493","0.1683","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031527","7.7272","0.0003","21.2361","0.0009","25.093","0.001","90","","90","","90","","4117.7","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C184 H272 O32 -","8","1","","Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh","Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.","The Journal of organic chemistry","2015","80","20","9889","9899","10.1021/acs.joc.5b01345","","","0.71073","MoKα","","0.0517","0.0396","","","0.1033","0.1122","","","","","","1.033","","","","has coordinates","170095","2020-10-21","18:00:00",""
"4031528","6.567","0.003","11.997","0.004","12.947","0.004","79.817","0.014","77.04","0.015","76.642","0.015","958.7","0.6","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C40 H56 O12 -","2","1","","Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh","Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.","The Journal of organic chemistry","2015","80","20","9889","9899","10.1021/acs.joc.5b01345","","","0.71073","MoKα","","0.0706","0.0491","","","0.1421","0.1707","","","","","","0.718","","","","has coordinates","170095","2020-10-21","18:00:00",""
"4031529","22.8946","0.0012","10.9943","0.0005","7.9823","0.0005","90","","95.103","0.002","90","","2001.26","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","","Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh","Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.","The Journal of organic chemistry","2015","80","20","9889","9899","10.1021/acs.joc.5b01345","","","0.71073","MoKα","","0.082","0.0577","","","0.1622","0.1789","","","","","","1.048","","","","has coordinates","170095","2020-10-21","18:00:00",""
"4031532","8.5712","0.0007","9.4277","0.0008","11.6959","0.0009","102.743","0.002","93.346","0.002","96.979","0.002","911.45","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Trifluormethilamide like-cumeno system","","","- C21 H20 F3 N O4 -","- C21 H20 F3 N O4 -","- C42 H40 F6 N2 O8 -","2","1","","Rossini, Allan F. C.; Muraca, Ana Carolina A.; Casagrande, Gleison A.; Raminelli, Cristiano","Total Syntheses of Aporphine Alkaloids via Benzyne Chemistry: An Approach to the Formation of Aporphine Cores.","The Journal of organic chemistry","2015","80","20","10033","10040","10.1021/acs.joc.5b01634","","","1.54178","CuKα","","0.0437","0.0434","","","0.1167","0.1168","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031533","22.779","0.006","12.654","0.003","18.025","0.005","90","","90.008","0.004","90","","5196","2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C15Npcage","","","- C55 H96 Si2 -","- C55 H96 Si2 -","- C220 H384 Si8 -","4","1","","Nishiyama, Yohei; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","1,4-Naphthalenediyl-Bridged Molecular Gyrotops: Rotation of the Rotor and Fluorescence in Solution.","The Journal of organic chemistry","2015","80","20","9959","9966","10.1021/acs.joc.5b01489","","","0.71073","MoKα","","0.1453","0.1058","","","0.259","0.2935","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031534","13.028","0.009","18.089","0.013","25.708","0.018","74.702","0.012","83.371","0.015","89.177","0.015","5804","7","90","2","90","2","","","","","","","","3","P -1","-P 1","2","C17Npcage","","","- C61 H108 Si2 -","- C61 H108 Si2 -","- C244 H432 Si8 -","4","2","","Nishiyama, Yohei; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","1,4-Naphthalenediyl-Bridged Molecular Gyrotops: Rotation of the Rotor and Fluorescence in Solution.","The Journal of organic chemistry","2015","80","20","9959","9966","10.1021/acs.joc.5b01489","","","0.71073","MoKα","","0.5361","0.1874","","","0.41","0.574","","","","","","0.885","","","","has coordinates,has disorder","170089","2020-10-21","18:00:00",""
"4031540","15.5042","0.0002","13.5571","0.0002","23.441","0.0004","90","","109.255","0.001","90","","4651.49","0.12","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H15 Cl2 I -","- C30 H15 Cl2 I -","- C240 H120 Cl16 I8 -","8","2","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0597","0.0404","","","0.0926","0.1011","","","","","","1.027","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031541","11.6133","0.0003","12.2509","0.0003","12.4055","0.0003","85.569","0.001","76.759","0.001","71.624","0.001","1630.42","0.07","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","2","P -1","-P 1","2","","","","- C24 H14 -","- C24 H14 -","- C96 H56 -","4","2","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0556","0.0439","","","0.109","0.1169","","","","","","1.035","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031542","9.0476","0.0004","11.7771","0.0006","13.5039","0.0007","94.119","0.002","102.219","0.0019","111.081","0.0018","1294.8","0.11","150","2","150","2","","","","","","","synthesized by dr. Jiri Kaleta","4","P -1","-P 1","2","","","","- C60 H46 Cl4 Si2 -","- C60 H46 Cl4 Si2 -","- C60 H46 Cl4 Si2 -","1","0.5","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.049","0.0451","","","0.1149","0.1181","","","","","","1.029","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031543","9.9671","0.0008","13.0196","0.0013","17.0747","0.0014","90","","104.557","0.004","90","","2144.6","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H17 Br -","- C30 H17 Br -","- C120 H68 Br4 -","4","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0475","0.031","","","0.0629","0.0676","","","","","","1.02","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031544","13.3977","0.0008","25.4142","0.0017","8.1013","0.0006","90","","96.447","0.003","90","","2741","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C136 H104 N8 O16 -","4","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0969","0.0618","","","0.1552","0.1799","","","","","","1.033","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031545","8.9567","0.0003","11.8107","0.0004","22.4244","0.0008","98.4355","0.0015","90.6462","0.0015","90.2978","0.0015","2346.29","0.14","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P -1","-P 1","2","","","","- C23 H14 O -","- C23 H13.6667 O -","- C138 H82 O6 -","6","3","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.1019","0.0911","","","0.2009","0.2057","","","","","","1.181","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031546","15.8116","0.0007","19.4172","0.001","13.1694","0.0006","90","","112.85","0.002","90","","3725.9","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Br2 -","- C24 H14 Br2 -","- C192 H112 Br16 -","8","2","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0628","0.0367","","","0.0725","0.0795","","","","","","1.019","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031547","15.7725","0.001","20.2392","0.0013","8.0195","0.0005","90","","93.758","0.003","90","","2554.5","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Br2 Si -","- C29 H22 Br2 Si -","- C116 H88 Br8 Si4 -","4","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0754","0.0502","","","0.129","0.1407","","","","","","1.058","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031548","8.1007","0.0007","15.4383","0.0014","22.617","0.002","97.056","0.007","92.982","0.006","100.618","0.007","2750.9","0.4","100","2","100","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P -1","-P 1","2","","","","- C71.5 H60 O5 -","- C71.5 H60 O5 -","- C143 H120 O10 -","2","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.7749","synchrotron","","0.1384","0.096","","","0.2689","0.303","","","","","","1.124","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4031554","9.6378","0.0005","10.0839","0.0005","10.0864","0.0005","90.206","0.004","103.919","0.003","115.144","0.003","855.05","0.08","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O6 -","- C16 H25 N O6 -","- C32 H50 N2 O12 -","2","1","","Harada, Shingo; Kono, Masato; Nozaki, Tomoyuki; Menjo, Yasuhiro; Nemoto, Tetsuhiro; Hamada, Yasumasa","General Approach to Nitrogen-Bridged Bicyclic Frameworks by Rh-Catalyzed Formal Carbenoid Insertion into an Amide C-N Bond.","The Journal of organic chemistry","2015","80","20","10317","10333","10.1021/acs.joc.5b01954","","","1.54187","CuKα","","","0.0465","","","","0.1223","","","","","","1.047","","","","has coordinates","170093","2020-10-21","18:00:00",""
"4031555","7.012","0.0002","9.5343","0.0003","21.2709","0.0008","90","","93.439","0.003","90","","1419.49","0.08","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Harada, Shingo; Kono, Masato; Nozaki, Tomoyuki; Menjo, Yasuhiro; Nemoto, Tetsuhiro; Hamada, Yasumasa","General Approach to Nitrogen-Bridged Bicyclic Frameworks by Rh-Catalyzed Formal Carbenoid Insertion into an Amide C-N Bond.","The Journal of organic chemistry","2015","80","20","10317","10333","10.1021/acs.joc.5b01954","","","1.54187","CuKα","","","0.0449","","","","0.1191","","","","","","1.094","","","","has coordinates","170093","2020-10-21","18:00:00",""
"4031556","5.8068","0.0003","9.2151","0.0004","16.0074","0.0006","98.259","0.003","92.438","0.003","92.623","0.003","845.74","0.07","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C40 H50 N2 O6 -","2","1","","Harada, Shingo; Kono, Masato; Nozaki, Tomoyuki; Menjo, Yasuhiro; Nemoto, Tetsuhiro; Hamada, Yasumasa","General Approach to Nitrogen-Bridged Bicyclic Frameworks by Rh-Catalyzed Formal Carbenoid Insertion into an Amide C-N Bond.","The Journal of organic chemistry","2015","80","20","10317","10333","10.1021/acs.joc.5b01954","","","1.54187","CuKα","","","0.0624","","","","0.218","","","","","","1.142","","","","has coordinates","170093","2020-10-21","18:00:00",""
"4031559","6.181","0.004","7.296","0.004","14.295","0.009","104.493","0.019","92.4","0.03","101.853","0.019","607.9","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C24 H24 Cl2 N2 O6 -","2","1","","Xing, Linlin; Li, Chunbao","Stereoselective Chlorination and Bromination of Enamides and Enamines via an Electrostatic Attraction Effect Using (1,1-Diacetoxyiodo)benzene and a Halide Source.","The Journal of organic chemistry","2015","80","20","10000","10008","10.1021/acs.joc.5b01603","","","0.71073","MoKα","","0.0596","0.0482","","","0.1389","0.1494","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031560","10.4443","0.0004","17.7411","0.0008","12.8612","0.0007","90","","92.33","0.004","90","","2381.12","0.19","293","2","293.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Zhu, Yu-Qin; Dong, Lin","One-Pot Synthesis of Polysubstituted Spirofluorene-Indene via Ru(II)-Catalyzed [3 + 2] Annulation and Intramolecular Friedel-Crafts Cyclization.","The Journal of organic chemistry","2015","80","20","9973","9979","10.1021/acs.joc.5b01517","","","0.71073","MoKα","","0.0687","0.0457","","","0.104","0.1187","","","","","","1.036","","","","has coordinates","170094","2020-10-21","18:00:00",""
"4031615","11.7583","0.0008","12.9661","0.0008","13.8658","0.0009","101.971","0.003","93.135","0.004","116.661","0.003","1821.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H0 N O S -","- C23 N O S -","- C92 N4 O4 S4 -","4","2","","Tang, Jiaming; Xu, Bingqing; Mao, Xi; Yang, Hongyan; Wang, Xiaoxia; Lv, Xin","One-Pot Synthesis of Pyrrolo[3,2,1-kl]phenothiazines through Copper-Catalyzed Tandem Coupling/Double Cyclization Reaction.","The Journal of organic chemistry","2015","80","21","11108","11114","10.1021/acs.joc.5b01745","","","0.71073","MoKα","","0.2071","0.172","","","0.3781","0.3915","","","","","","1.267","","","","has coordinates","170816","2020-10-21","18:00:00",""
"4031702","10.0335","0.0009","12.8124","0.0012","15.7773","0.0014","91.419","0.004","106.952","0.004","91.256","0.004","1938.6","0.3","150","2","150","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H47 O9 -","- C46 H47 O9 -","- C92 H94 O18 -","2","1","","Hong, Kenneth K. C.; Ball, Graham E.; Black, David StC; Kumar, Naresh","The Mosaic of Rottlerin.","The Journal of organic chemistry","2015","80","21","10668","10674","10.1021/acs.joc.5b01827","","","0.71073","MoKα","","0.0927","0.0589","","","0.1624","0.1838","","","","","","1.053","","","","has coordinates,has disorder","170815","2020-10-21","18:00:00",""
"4031703","16.4146","0.001","7.1564","0.0005","21.2383","0.0013","90","","102.908","0.003","90","","2431.8","0.3","150","2","150.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O9 -","- C28 H34 O9 -","- C112 H136 O36 -","4","1","","Hong, Kenneth K. C.; Ball, Graham E.; Black, David StC; Kumar, Naresh","The Mosaic of Rottlerin.","The Journal of organic chemistry","2015","80","21","10668","10674","10.1021/acs.joc.5b01827","","","0.71073","MoKα","","0.06","0.0443","","","0.1192","0.1317","","","","","","1.044","","","","has coordinates","170815","2020-10-21","18:00:00",""
"4031713","21.032","0.003","29.029","0.005","21.783","0.003","90","","93.949","0.003","90","","13268","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H42.5 Cl7.5 S14 Si5 -","- C46.5 H42.5 Cl7.5 S14 Si5 -","- C372 H340 Cl60 S112 Si40 -","8","2","","Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua","Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures.","The Journal of organic chemistry","2015","80","21","11156","11161","10.1021/acs.joc.5b01910","","","0.71073","MoKα","","0.2095","0.0925","","","0.1852","0.2344","","","","","","1.113","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031714","11.792","0.005","13.295","0.005","44.329","0.018","90","","90","","90","","6950","5","296","2","296.15","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C51.3 H47.3 Cl21.9 S14 Si5 -","- C44 H40 S14 Si5 -","- C88 H80 S28 Si10 -","2","0.25","","Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua","Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures.","The Journal of organic chemistry","2015","80","21","11156","11161","10.1021/acs.joc.5b01910","","","0.71073","MoKα","","0.118","0.0877","","","0.2543","0.2685","","","","","","1.027","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4031715","12.846","0.005","10.521","0.004","20.355","0.007","90","","103.438","0.006","90","","2675.7","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 S7 Si2 -","- C22 H22 S7 Si2 -","- C88 H88 S28 Si8 -","4","1","","Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua","Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures.","The Journal of organic chemistry","2015","80","21","11156","11161","10.1021/acs.joc.5b01910","","","0.71073","MoKα","","0.0516","0.0371","","","0.108","0.124","","","","","","0.822","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031716","6.0282","0.0003","14.1182","0.0006","18.3287","0.0013","90","","90","","90","","1559.91","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 N2 O3 S -","- C13 H24 N2 O3 S -","- C52 H96 N8 O12 S4 -","4","1","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","0.71073","MoKα","","0.026","0.0257","","","0.0664","0.0667","","","","","","1.03","","","","has coordinates","170817","2020-10-21","18:00:00",""
"4031717","6.0165","0.0005","26.965","0.002","10.5795","0.0009","90","","95.344","0.003","90","","1708.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N2 O3 -","- C17 H23 N2 O3 -","- C68 H92 N8 O12 -","4","2","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","1.54178","CuKα","","0.0412","0.0373","","","0.0944","0.0975","","","","","","1.04","","","","has coordinates","170817","2020-10-21","18:00:00",""
"4031718","9.2507","0.0013","9.5787","0.0012","17.633","0.002","90","","90","","90","","1562.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N2 O3 -","- C14 H25 N2 O3 -","- C56 H100 N8 O12 -","4","1","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","1.54178","CuKα","","0.0705","0.0644","","","0.1805","0.1904","","","","","","1.036","","","","has coordinates,has disorder","170817","2020-10-21","18:00:00",""
"4031719","9.713","0.0002","9.7647","0.0002","16.4938","0.0003","90","","94.827","0.001","90","","1558.8","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Wang, Chun-Chieh; Ku, Yi-Chen; Chuang, Gary Jing","Photoinduced Decarbonylative Rearrangement of Bicyclo[2.2.2]Octenones: Synthesis of the Marasmane Skeleton.","The Journal of organic chemistry","2015","80","21","10979","10991","10.1021/acs.joc.5b02140","","","0.71073","MoKα","","0.0642","0.0425","","","0.0931","0.1033","","","","","","1.06","","","","has coordinates","170818","2020-10-21","18:00:00",""
"4031720","11.5436","0.0004","9.1664","0.0003","14.9308","0.0005","90","","94.259","0.002","90","","1575.51","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Wang, Chun-Chieh; Ku, Yi-Chen; Chuang, Gary Jing","Photoinduced Decarbonylative Rearrangement of Bicyclo[2.2.2]Octenones: Synthesis of the Marasmane Skeleton.","The Journal of organic chemistry","2015","80","21","10979","10991","10.1021/acs.joc.5b02140","","","0.71073","MoKα","","0.1115","0.054","","","0.1306","0.1585","","","","","","1.028","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031723","8.749","0.005","10.924","0.006","11.952","0.007","104.251","0.01","92.232","0.01","101.63","0.01","1079.7","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C48 H52 N4 O6 -","2","1","","Miranda, Luis D.; Hernández-Vázquez, Eduardo","Multicomponent/Palladium-Catalyzed Cascade Entry to Benzopyrrolizidine Derivatives: Synthesis and Antioxidant Evaluation.","The Journal of organic chemistry","2015","80","21","10611","10623","10.1021/acs.joc.5b01742","","","0.71073","MoKα","","0.1515","0.0843","","","0.2167","0.2647","","","","","","1.015","","","","has coordinates,has disorder","170812","2020-10-21","18:00:00",""
"4031724","8.4979","0.0006","12.5318","0.0009","24.3558","0.0017","90","","99.218","0.002","90","","2560.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl N2 O5 -","- C27 H31 Cl N2 O5 -","- C108 H124 Cl4 N8 O20 -","4","1","","Miranda, Luis D.; Hernández-Vázquez, Eduardo","Multicomponent/Palladium-Catalyzed Cascade Entry to Benzopyrrolizidine Derivatives: Synthesis and Antioxidant Evaluation.","The Journal of organic chemistry","2015","80","21","10611","10623","10.1021/acs.joc.5b01742","","","0.71073","MoKα","","0.0855","0.0534","","","0.1283","0.1483","","","","","","1.029","","","","has coordinates","170812","2020-10-21","18:00:00",""
"4031725","10.0744","0.0003","10.4491","0.0003","21.6791","0.0006","90","","95.102","0.002","90","","2273.08","0.11","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H21 Cl N2 O2 S -","- C26 H21 Cl N2 O2 S -","- C104 H84 Cl4 N8 O8 S4 -","4","2","","Zeng, Xue-Mei; Meng, Chang-Yu; Bao, Jia-Xin; Xu, Dong-Cheng; Xie, Jian-Wu; Zhu, Wei-Dong","Enantioselective Construction of Polyfunctionalized Spiroannulated Dihydrothiophenes via a Formal Thio [3+2] Cyclization.","The Journal of organic chemistry","2015","80","22","11521","11528","10.1021/acs.joc.5b01357","","","0.71073","MoKα","","0.0487","0.0393","","","0.0867","0.0924","","","","","","1.071","","","","has coordinates","170810","2020-10-21","18:00:00",""
"4031726","6.6061","0.0018","8.907","0.002","13.587","0.004","92.376","0.007","91.617","0.007","100.58","0.007","784.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","","Bhaumik, Atanu; Pathak, Tanmaya","Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.","The Journal of organic chemistry","2015","80","21","11057","11064","10.1021/acs.joc.5b01192","","","0.71073","MoKα","","0.1924","0.0636","","","0.1958","0.2535","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031727","6.0713","0.0016","12.715","0.003","22.502","0.006","90","","90","","90","","1737.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","1","","Bhaumik, Atanu; Pathak, Tanmaya","Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.","The Journal of organic chemistry","2015","80","21","11057","11064","10.1021/acs.joc.5b01192","","","0.71073","MoKα","","0.2574","0.0745","","","0.1508","0.237","","","","","","0.918","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031728","5.807","0.005","14.774","0.005","20.829","0.005","90","","90","","90","","1787","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C68 H84 N4 O28 -","4","1","","Bhaumik, Atanu; Pathak, Tanmaya","Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.","The Journal of organic chemistry","2015","80","21","11057","11064","10.1021/acs.joc.5b01192","","","0.71073","MoKα","","0.2035","0.0748","","","0.1802","0.2628","","","","","","0.881","","","","has coordinates","170813","2020-10-21","18:00:00",""
"4031729","9.009","0.003","14.683","0.005","15.413","0.005","84.335","0.01","78.411","0.01","80.118","0.01","1963.3","1.1","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H37 N5 O2 -","- C51 H37 N5 O2 -","- C102 H74 N10 O4 -","2","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.1076","0.0795","","","0.1524","0.1679","","","","","","1.126","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031730","16.93","0.003","16.114","0.003","20.594","0.004","90","","114.06","0.03","90","","5130","2","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H55 N3 O2 -","- C59 H55 N3 O2 -","- C236 H220 N12 O8 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.1467","0.1194","","","0.301","0.3404","","","","","","1.863","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031731","16.874","0.003","11.312","0.002","23.571","0.005","90","","97.27","0.03","90","","4463","1.5","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H51 N3 O3 -","- C56 H51 N3 O3 -","- C224 H204 N12 O12 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.1294","0.0946","","","0.235","0.2534","","","","","","1.153","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031732","8.753","0.0018","14.773","0.003","28.489","0.006","90","","90","","90","","3683.9","1.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H33 Cl2 N3 O2 -","- C48 H33 Cl2 N3 O2 -","- C192 H132 Cl8 N12 O8 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.087","0.0746","","","0.1445","0.1532","","","","","","1.125","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031733","9.3576","0.0019","39.56","0.008","11.254","0.002","90","","99.55","0.03","90","","4108.3","1.4","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H42 N4 O2 -","- C53 H42 N4 O2 -","- C212 H168 N16 O8 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.0879","0.077","","","0.1371","0.1425","","","","","","1.231","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031734","11.3075","0.0002","23.9449","0.0003","11.5539","0.0002","90","","111.656","0.002","90","","2907.49","0.09","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H78 N2 O4 Si2 -","- C64 H78 N2 O4 Si2 -","- C128 H156 N4 O8 Si4 -","2","0.5","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","1.54178","CuKα","","0.073","0.0598","","","0.1817","0.1995","","","","","","1.044","","","","has coordinates,has disorder","170809","2020-10-21","18:00:00",""
"4031735","9.9916","0.0006","15.6617","0.0009","18.6841","0.0011","67.994","0.002","85.859","0.002","89.203","0.002","2703.4","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H52 N4 O4 -","- C72 H52 N4 O4 -","- C144 H104 N8 O8 -","2","1","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","0.71073","MoKα","","0.0949","0.0563","","","0.1321","0.149","","","","","","1.032","","","","has coordinates","170809","2020-10-21","18:00:00",""
"4031736","7.578","0.0005","9.1129","0.0006","9.9879","0.0007","114.28","0.002","94.306","0.002","95.903","0.002","620.13","0.07","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 Br2 Si2 -","- C24 H26 Br2 Si2 -","- C24 H26 Br2 Si2 -","1","0.5","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","0.71073","MoKα","K-L~3~","0.0581","0.0363","","","0.0784","0.0887","","","","","","1.015","","","","has coordinates","170809","2020-10-21","18:00:00",""
"4031737","10.5232","0.0005","8.0808","0.0004","20.885","0.0011","90","","102.194","0.002","90","","1735.9","0.15","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Br2 Si2 -","- C36 H50 Br2 Si2 -","- C72 H100 Br4 Si4 -","2","0.5","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","0.71073","MoKα","","0.0515","0.0339","","","0.0711","0.0764","","","","","","1.039","","","","has coordinates","170809","2020-10-21","18:00:00",""
"4031738","16.8926","0.0009","13.6464","0.0007","19.4813","0.0011","90","","107.626","0.002","90","","4280.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 Cl3 N4 O3 V -","- C51 H47 Cl3 N4 O3 V -","- C204 H188 Cl12 N16 O12 V4 -","4","1","","Gehrold, Andreas C.; Bruhn, Torsten; Schneider, Heidi; Radius, Udo; Bringmann, Gerhard","Monomeric Chiral and Achiral Basket-Handle Porphyrins: Synthesis, Structural Features, and Arrested Tautomerism.","The Journal of organic chemistry","2015","80","24","12359","12378","10.1021/acs.joc.5b02259","","","0.71073","MoKα","","0.063","0.0456","","","0.1109","0.1214","","","","","","1.028","","","","has coordinates","173586","2020-10-21","18:00:00",""
"4031739","21.9867","0.0011","14.2038","0.0007","15.3868","0.0008","90","","120.622","0.002","90","","4135.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Cl In N4 O2 -","- C50 H46 Cl In N4 O2 -","- C200 H184 Cl4 In4 N16 O8 -","4","0.5","","Gehrold, Andreas C.; Bruhn, Torsten; Schneider, Heidi; Radius, Udo; Bringmann, Gerhard","Monomeric Chiral and Achiral Basket-Handle Porphyrins: Synthesis, Structural Features, and Arrested Tautomerism.","The Journal of organic chemistry","2015","80","24","12359","12378","10.1021/acs.joc.5b02259","","","0.71073","MoKα","","0.0272","0.0242","","","0.0613","0.0631","","","","","","1.06","","","","has coordinates","173586","2020-10-21","18:00:00",""
"4031740","14.9685","0.0003","18.6756","0.0003","20.5316","0.0003","90","","90","","90","","5739.52","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 F6 O2 P2 S -","- C30 H30 F6 O2 P2 S -","- C240 H240 F48 O16 P16 S8 -","8","1","","Hampton, Carissa S.; Harmata, Michael","Mechanistic Aspects of the Phosphine-Catalyzed Isomerization of Allenic Sulfones to 2-Arylsulfonyl 1,3-Dienes.","The Journal of organic chemistry","2015","80","24","12151","12158","10.1021/acs.joc.5b02097","","","1.54178","CuKα","","0.0284","0.0269","","","0.0719","0.073","","","","","","1.04","","","","has coordinates","173587","2020-10-21","18:00:00",""
"4031741","5.8355","0.0002","15.6172","0.0007","19.3487","0.0005","108.533","0.003","91.452","0.003","99.953","0.004","1640.63","0.11","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H56 F14 N4 O S4 -","- C68 H56 F14 N4 S4 -","- C68 H56 F14 N4 S4 -","1","0.5","","Langbein, Susanne; Wadepohl, Hubert; Gade, Lutz H.","Arylmercapto Substituted Tetraazaperopyrene Derivatives and Their Oxidation to Tetrasulfones: Photophysics and Electrochemistry.","The Journal of organic chemistry","2015","80","24","12620","12626","10.1021/acs.joc.5b01969","","x-ray","1.5418","CuKα","","0.079","0.0601","","","0.1627","0.1815","","","","","","1.042","","","","has coordinates","173597","2020-10-21","18:00:00",""
"4031744","18.4384","0.0016","8.3568","0.0007","13.182","0.0011","90","","108.98","0.001","90","","1920.7","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O2 -","- C24 H28 O2 -","- C96 H112 O8 -","4","1","","Subba Reddy, B. V.; Medaboina, Durgaprasad; Gopal Reddy, S.; Hanuman Reddy, V.; Singarapu, Kiran Kumar; Sridhar, Balasubramanian","Domino Strategy for the Stereoselective Construction of Angularly Fused Tricyclic Ethers.","The Journal of organic chemistry","2015","80","24","12580","12587","10.1021/acs.joc.5b02241","","","0.71073","MoKα","","0.065","0.0532","","","0.1372","0.1466","","","","","","1.052","","","","has coordinates","173589","2020-10-21","18:00:00",""
"4031745","13.641","0.004","13.069","0.004","10.529","0.002","90","","90","","90","","1877","0.9","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","0.5","","Dawaigher, Sami; Månsson, Kristoffer; Ascic, Erhad; Artacho, Josep; Mårtensson, Roger; Loganathan, Nagarajan; Wendt, Ola F.; Harmata, Michael; Snieckus, Victor; Wärnmark, Kenneth","A Protocol for the exo-Mono and exo,exo-Bis Functionalization of the Diazocine Ring of Tröger's Base.","The Journal of organic chemistry","2015","80","24","12006","12014","10.1021/acs.joc.5b01921","","","0.71073","MoKα","","0.1654","0.0707","","","0.1578","0.2071","","","","","","1.01","","","","has coordinates","173593","2020-10-21","18:00:00",""
"4031746","10.401","0.004","10.577","0.003","17.112","0.005","90","","103.01","0.03","90","","1834.2","1.1","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 -","- C24 H24 N2 -","- C96 H96 N8 -","4","1","","Dawaigher, Sami; Månsson, Kristoffer; Ascic, Erhad; Artacho, Josep; Mårtensson, Roger; Loganathan, Nagarajan; Wendt, Ola F.; Harmata, Michael; Snieckus, Victor; Wärnmark, Kenneth","A Protocol for the exo-Mono and exo,exo-Bis Functionalization of the Diazocine Ring of Tröger's Base.","The Journal of organic chemistry","2015","80","24","12006","12014","10.1021/acs.joc.5b01921","","","0.71073","MoKα","","0.1846","0.0532","","","0.0929","0.1191","","","","","","0.816","","","","has coordinates","173593","2020-10-21","18:00:00",""
"4031747","10.9514","0.0008","3.8752","0.0003","21.5656","0.0016","90","","92.972","0.004","90","","913.99","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-cyano-3-(4-cholorophenyl)acrylamide","","","- C20 H10 Cl2 N4 O2 -","- C20 H14 Cl2 N4 O2 -","- C40 H28 Cl4 N8 O4 -","2","0.5","","Gunasekar, Ramachandran; Thamaraiselvi, Pichandi; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer; Easwaramoorthi, Shanmugam","Tuning the Electronic Properties of 2-Cyano-3-phenylacrylamide Derivatives.","The Journal of organic chemistry","2015","80","24","12351","12358","10.1021/acs.joc.5b02226","","","0.71073","MoKα","","0.0542","0.0434","","","0.1361","0.143","","","","","","1.112","","","","has coordinates","173594","2020-10-21","18:00:00",""
"4031748","4.7744","0.0001","16.1844","0.0004","8.8835","0.0002","90","","96.455","0.001","90","","682.08","0.03","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Cl F2 N O2 -","- C4 H8 Cl F2 N O2 -","- C16 H32 Cl4 F8 N4 O8 -","4","1","","Kondratov, Ivan S.; Bugera, Maksym Ya; Tolmachova, Nataliya A.; Posternak, Ganna G.; Daniliuc, Constantin G.; Haufe, Günter","Radical Reactions of Alkyl 2-Bromo-2,2-difluoroacetates with Vinyl Ethers: ""Omitted"" Examples and Application for the Synthesis of 3,3-Difluoro-GABA.","The Journal of organic chemistry","2015","80","24","12258","12264","10.1021/acs.joc.5b02171","","","0.71073","MoKα","","0.0301","0.028","","","0.0716","0.0737","","","","","","1.088","","","","has coordinates","173596","2020-10-21","18:00:00",""
"4031749","7.5975","0.0014","10.5316","0.0019","27.162","0.005","90","","97.953","0.003","90","","2152.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O2 -","- C25 H27 N3 O2 -","- C100 H108 N12 O8 -","4","1","","Bodapati, Ramakrishna; Sarma, Monima; Kanakati, Arunkumar; Das, Samar K.","Asymmetrically Substituted and π-Conjugated 2,2'-Bipyridine Derivatives: Synthesis, Spectroscopy, Computation, and Crystallography.","The Journal of organic chemistry","2015","80","24","12482","12491","10.1021/acs.joc.5b02345","","","0.71073","MoKα","","0.096","0.0806","","","0.1929","0.2045","","","","","","1.097","","","","has coordinates","173595","2020-10-21","18:00:00",""
"4031750","9.4598","0.0002","7.6176","0.0001","10.0179","0.0002","90","","95.575","0.002","90","","718.48","0.02","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","1","","Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane","Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.","The Journal of organic chemistry","2015","80","24","12431","12443","10.1021/acs.joc.5b02303","","","1.54178","CuKα","","0.0373","0.0365","","","0.1129","0.1146","","","","","","0.786","","","","has coordinates","173591","2020-10-21","18:00:00",""
"4031751","7.4623","0.0008","7.9403","0.0009","14.3735","0.0015","100.622","0.009","92.419","0.009","112.362","0.01","768.19","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 O2 -","- C16 H21 N3 O2 -","- C32 H42 N6 O4 -","2","1","","Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane","Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.","The Journal of organic chemistry","2015","80","24","12431","12443","10.1021/acs.joc.5b02303","","","1.54178","CuKα","","0.1336","0.0881","","","0.2219","0.2529","","","","","","1.168","","","","has coordinates","173591","2020-10-21","18:00:00",""
"4031752","9.3568","0.0004","15.0678","0.0006","11.9128","0.0005","90","","100.597","0.004","90","","1650.9","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","1","","Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane","Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.","The Journal of organic chemistry","2015","80","24","12431","12443","10.1021/acs.joc.5b02303","","","1.54178","CuKα","","0.0723","0.0595","","","0.1673","0.1793","","","","","","1.014","","","","has coordinates","173591","2020-10-21","18:00:00",""
"4031753","26.012","0.001","7.214","0.001","20.211","0.001","90","","128.649","0.001","90","","2962","0.5","150","2","150","","","","","","","","","5","C 1 2 1","C 2y","5","","N-(1-Acetyl-6-methyl-4-thia-1,2-diaza-spiro[4.5]dec-2-en-3-yl)-acetamide","","- C25.5 H41 N6 O4.5 S2 -","- C25.5 H41 N6 O4.5 S2 -","- C102 H164 N24 O18 S8 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","","1.5418","CuKα","","0.0406","0.038","","","0.1022","0.1064","","","","","","1.07","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031754","8.058","0.001","14.09","0.001","12.214","0.001","90","","92.584","0.002","90","","1385.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(1-Acetyl-7-methyl-4-thia-1,2-diaza-spiro[4.5]dec-2-en-3-yl)-acetamide","","- C12 H19 N3 O2 S -","- C12 H19 N3 O2 S -","- C48 H76 N12 O8 S4 -","4","2","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","","1.5418","CuKα","","0.0448","0.0394","","","0.101","0.1091","","","","","","1.094","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031755","9.151","0.001","10.67","0.001","17.149","0.001","90","","90","","90","","1674.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5R,6S)-(+)-N-(6-tert-butyl-1-formyl-4-thia-1,2- diazaspiro[4.5]dec-2-en-3-yl)acetamide","","- C15 H25 N3 O2 S -","- C15 H25 N3 O2 S -","- C60 H100 N12 O8 S4 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","x-ray","1.54178","CuKα","","0.0434","0.0341","","","0.0874","0.0945","","","","","","1.073","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031756","9.602","0.001","11.794","0.001","15.017","0.001","90","","90","","90","","1700.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5S,6S)-(+)-N-(6-tert-butyl-1-formyl-4-thia-1,2- diazaspiro[4.5]dec-2-en-3-yl)acetamide","","- C15 H25 N3 O2 S -","- C15 H25 N3 O2 S -","- C60 H100 N12 O8 S4 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","x-ray","1.54178","CuKα","","0.0537","0.0387","","","0.1001","0.1133","","","","","","1.022","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031757","30.1333","0.0007","7.7644","0.0002","12.9297","0.0003","90","","105.7","0.003","90","","2912.26","0.13","190","2","190","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H40 N O12.5 -","- C32 H40 N O12.5 -","- C128 H160 N4 O50 -","4","1","","Shang, Zhuo; Salim, Angela A.; Khalil, Zeinab; Quezada, Michelle; Bernhardt, Paul V.; Capon, Robert J.","Viridicatumtoxins: Expanding on a Rare Tetracycline Antibiotic Scaffold.","The Journal of organic chemistry","2015","80","24","12501","12508","10.1021/acs.joc.5b02367","","x-ray","1.54184","CuKα","","0.0484","0.0466","","","0.1326","0.1348","","","","","","1.069","","","","has coordinates,has disorder","173588","2020-10-21","18:00:00",""
"4031758","9.2194","0.0018","28.551","0.006","11.042","0.002","90","","111.54","0.03","90","","2703.5","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O8 -","- C29 H28 O8 -","- C116 H112 O32 -","4","1","","Liu, Yi-Fei; Wang, Zhen; Shi, Jin-Wei; Chen, Bai-Ling; Zhao, Zhi-Gang; Chen, Zili","NHC-Ag(I)-Catalyzed Three-Component 1,3-Dipolar Cycloaddition To Provide Polysubstituted Dihydro-/Tetrahydrofurans.","The Journal of organic chemistry","2015","80","24","12733","12739","10.1021/acs.joc.5b02422","","","0.71073","MoKα","","0.106","0.0656","","","0.1593","0.1854","","","","","","1.073","","","","has coordinates,has disorder","173590","2020-10-21","18:00:00",""
"4031759","9.0734","0.0012","18.171","0.003","15.045","0.002","90","","90.571","0.003","90","","2480.4","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N O3 P S -","- C29 H24 N O3 P S -","- C116 H96 N4 O12 P4 S4 -","4","1","","Li, Bin; Yang, Jie; Xu, Hong; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed C-H Activation and Annulation with 1-Alkynylphosphine Sulfides: A Mild and Regioselective Access for the Synthesis of Bulky Phosphine Ligands.","The Journal of organic chemistry","2015","80","24","12397","12409","10.1021/acs.joc.5b02265","","","0.71073","MoKα","","0.0331","0.0292","","","0.0766","0.0789","","","","","","1.028","","","","has coordinates","173585","2020-10-21","18:00:00",""
"4031760","13.236","0.003","19.919","0.004","34.94","0.007","90","","90","","90","","9212","3","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27.5 H22 Cl N O P S -","- C27.5 H21 Cl N O P S -","- C440 H336 Cl16 N16 O16 P16 S16 -","16","2","","Li, Bin; Yang, Jie; Xu, Hong; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed C-H Activation and Annulation with 1-Alkynylphosphine Sulfides: A Mild and Regioselective Access for the Synthesis of Bulky Phosphine Ligands.","The Journal of organic chemistry","2015","80","24","12397","12409","10.1021/acs.joc.5b02265","","","0.71073","MoKα","","0.0839","0.0639","","","0.1373","0.1474","","","","","","1.097","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031761","9.948","0.002","12.78","0.003","18.432","0.004","103.49","0.03","95.86","0.03","108.52","0.03","2120.9","1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 N O P S -","- C27 H20 N O P S -","- C108 H80 N4 O4 P4 S4 -","4","2","","Li, Bin; Yang, Jie; Xu, Hong; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed C-H Activation and Annulation with 1-Alkynylphosphine Sulfides: A Mild and Regioselective Access for the Synthesis of Bulky Phosphine Ligands.","The Journal of organic chemistry","2015","80","24","12397","12409","10.1021/acs.joc.5b02265","","","0.71073","MoKα","","0.0666","0.0473","","","0.1077","0.1184","","","","","","1.018","","","","has coordinates","173585","2020-10-21","18:00:00",""
"4036102","15.812","0.003","7.204","0.0014","38.241","0.008","90","","90","","90","","4356","1.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C192 H176 N16 O48 -","16","4","","Chen, Xin; Ge, Fei-Fei; Lu, Tao; Zhou, Qing-Fa","Stereoselective synthesis of 3-methyleneisoindolin-1-ones via base-catalyzed intermolecular reactions of electron-deficient alkynes with N-hydroxyphthalimides.","The Journal of organic chemistry","2015","80","6","3295","3301","10.1021/acs.joc.5b00002","","","0.71073","MoKα","","0.1962","0.0827","","","0.0829","0.1056","","","","","","0.981","","","","has coordinates","234244","2020-10-21","18:00:00",""
"4036103","13.625","0.003","5.326","0.0011","15.273","0.003","90","","106.71","0.03","90","","1061.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Chen, Xin; Ge, Fei-Fei; Lu, Tao; Zhou, Qing-Fa","Stereoselective synthesis of 3-methyleneisoindolin-1-ones via base-catalyzed intermolecular reactions of electron-deficient alkynes with N-hydroxyphthalimides.","The Journal of organic chemistry","2015","80","6","3295","3301","10.1021/acs.joc.5b00002","","","0.71073","MoKα","","0.0855","0.0525","","","0.1333","0.1552","","","","","","1.005","","","","has coordinates","234246","2020-10-21","18:00:00",""
"4036104","10.2477","0.0004","10.8191","0.0004","11.3109","0.0004","79.0525","0.0011","66.6749","0.0011","76.9949","0.0012","1114.88","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N7 O -","- C28 H19 N7 O -","- C56 H38 N14 O2 -","2","1","","Zhang, Yanwei; Ye, Xiaohan; Petersen, Jeffery L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of bis-N-2-aryl triazole as a fluorophore.","The Journal of organic chemistry","2015","80","7","3664","3669","10.1021/acs.joc.5b00006","","","0.71073","MoKα","","0.0803","0.0634","","","0.1229","0.1332","","","","","","1.169","","","","has coordinates","234248","2020-10-21","18:00:00",""
"4036105","11.3909","0.0008","12.0108","0.0008","30.282","0.002","90","","90","","90","","4143","0.5","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H18 N6 -","- C26 H18 N6 -","- C208 H144 N48 -","8","2","","Zhang, Yanwei; Ye, Xiaohan; Petersen, Jeffery L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of bis-N-2-aryl triazole as a fluorophore.","The Journal of organic chemistry","2015","80","7","3664","3669","10.1021/acs.joc.5b00006","","","0.71073","","","0.0929","0.0615","","","0.1366","0.1556","","","","","","1.11","","","","has coordinates","234250","2020-10-21","18:00:00",""
"4036106","23.8205","0.0011","11.7972","0.0005","11.1819","0.0004","90","","103.44","0.0014","90","","3056.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C18H12N3I","","","- C18 H12 I N3 -","- C18 H12 I N3 -","- C144 H96 I8 N24 -","8","2","","Zhang, Yanwei; Ye, Xiaohan; Petersen, Jeffery L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of bis-N-2-aryl triazole as a fluorophore.","The Journal of organic chemistry","2015","80","7","3664","3669","10.1021/acs.joc.5b00006","","","0.71073","","","0.0492","0.0371","","","0.0894","0.0964","","","","","","1.069","","","","has coordinates","234251","2020-10-21","18:00:00",""
"4036107","8.5115","0.0006","11.0465","0.0006","11.2349","0.0007","90","","105.865","0.007","90","","1016.09","0.12","294.29","0.1","294.29","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 O3 S -","- C21 H21 N3 O3 S -","- C42 H42 N6 O6 S2 -","2","1","","Yang, Dongxu; Li, Dan; Wang, Linqing; Zhao, Depeng; Wang, Rui","Development and Application of α-Heteroatom Ketones in Asymmetric Michael Reaction with β-trans-Nitroalkenes.","The Journal of organic chemistry","2015","80","9","4336","4348","10.1021/acs.joc.5b00013","","","0.71073","MoKα","","0.0628","0.0493","","","0.1157","0.1336","","","","","","1.07","","","","has coordinates,has disorder","234253","2020-10-21","18:00:00",""
"4036108","8.1338","0.0005","10.2777","0.0006","21.8101","0.0009","90","","90","","90","","1823.25","0.17","294.29","0.1","294.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl N3 O3 -","- C19 H16 Cl N3 O3 -","- C76 H64 Cl4 N12 O12 -","4","1","","Yang, Dongxu; Li, Dan; Wang, Linqing; Zhao, Depeng; Wang, Rui","Development and Application of α-Heteroatom Ketones in Asymmetric Michael Reaction with β-trans-Nitroalkenes.","The Journal of organic chemistry","2015","80","9","4336","4348","10.1021/acs.joc.5b00013","","","0.71073","MoKα","","0.1142","0.0603","","","0.1047","0.1366","","","","","","1.086","","","","has coordinates","234254","2020-10-21","18:00:00",""
"4036109","11.2837","0.0006","18.9703","0.0009","26.4631","0.0013","90","","90","","90","","5664.6","0.5","180","1","180","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H78 Br2 N10 O8 -","- C51 H77 Br2 N10 O8 -","- C204 H308 Br8 N40 O32 -","4","1","","Haberhauer, Gebhard; Burkhart, Christoph; Woitschetzki, Sascha; Wölper, Christoph","Light and chemically driven molecular machines showing a unidirectional four-state switching cycle.","The Journal of organic chemistry","2015","80","3","1887","1895","10.1021/acs.joc.5b00026","","","0.71073","MoKα","","0.0625","0.0401","","","0.0798","0.0866","","","","","","1.024","","","","has coordinates","234255","2020-10-21","18:00:00",""
"4036110","15.2526","0.0003","19.8673","0.0005","21.8203","0.0005","90","","91.264","0.001","90","","6610.6","0.3","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.25 H26.5 Cl0.5 I2 N6 -","- C28.25 H26.5 Cl0.5 I2 N6 -","- C226 H212 Cl4 I16 N48 -","8","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0345","0.0325","","","0.0782","0.0799","","","","","","1.077","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036111","43.4863","0.0009","7.3787","0.0001","16.9153","0.0003","90","","106.333","0.001","90","","5208.61","0.16","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Br2 N6 -","- C28 H26 Br2 N6 -","- C224 H208 Br16 N48 -","8","1","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0381","0.0303","","","0.067","0.0711","","","","","","1.071","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036112","22.7691","0.0008","11.3418","0.0004","28.9887","0.001","90","","103.8","0.001","90","","7270","0.4","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 B2 F8 I2 N6 O -","- C31 H36 B2 F8 I2 N6 O -","- C248 H288 B16 F64 I16 N48 O8 -","8","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0542","0.04","","","0.087","0.0935","","","","","","1.037","","","","has coordinates,has disorder","234257","2020-10-21","18:00:00",""
"4036113","11.6178","0.0002","12.8054","0.0002","15.4388","0.0003","100.157","0.001","93.967","0.001","103.274","0.001","2185.98","0.07","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H46 B I2 N9 O8 S -","- C36 H46 B I2 N9 O8 S -","- C72 H92 B2 I4 N18 O16 S2 -","2","1","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0278","0.0248","","","0.0535","0.0554","","","","","","1.068","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036114","16.0488","0.0005","17.2391","0.0007","17.3999","0.0005","118.013","0.002","112.079","0.002","93.597","0.002","3766.1","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.25 H36 B Br3 F4 N7 O0.25 -","- C32.25 H36 B Br3 F4 N7 O0.25 -","- C129 H144 B4 Br12 F16 N28 O -","4","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.1234","0.0929","","","0.229","0.2575","","","","","","1.121","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036115","15.2103","0.0003","15.8367","0.0005","17.3131","0.0005","73","0.001","69.553","0.001","74.841","0.001","3677.32","0.18","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 B2 Br2 F8 N7 S -","- C30 H33 B2 Br2 F8 N7 S -","- C120 H132 B8 Br8 F32 N28 S4 -","4","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0952","0.0696","","","0.142","0.1598","","","","","","1.128","","","","has coordinates,has disorder","234257","2020-10-21","18:00:00",""
"4036116","24.4902","0.0007","7.3248","0.0002","12.2729","0.0004","90","","114.913","0.002","90","","1996.72","0.11","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C96 H80 N24 O8 -","4","0.5","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0438","0.0368","","","0.084","0.0886","","","","","","1.087","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036117","8.8975","0.0003","8.9207","0.0003","11.9762","0.0004","78.8932","0.0018","88.2809","0.0018","74.9253","0.0018","900.47","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","RTK-2126","","","- C20 H17 N3 O4 -","- C20 H17 N3 O4 -","- C40 H34 N6 O8 -","2","1","","Ryu, Taekyu; Baek, Yonghyeon; Lee, Phil Ho","Synthesis of pyrazines from rhodium-catalyzed reaction of 2H-Azirines with N-sulfonyl 1,2,3-triazoles.","The Journal of organic chemistry","2015","80","4","2376","2383","10.1021/acs.joc.5b00036","","","0.71073","","","0.1409","0.104","","","0.2496","0.2703","","","","","","0.975","","","","has coordinates","234260","2020-10-21","18:00:00",""
"4036118","8.208","0.0003","14.4061","0.0005","10.6072","0.0004","90","","109.691","0.001","90","","1180.91","0.07","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Br N2 O6 -","- C26 H25 Br N2 O6 -","- C52 H50 Br2 N4 O12 -","2","1","","Lee, Jihoon; Panek, James S.","Total synthesis of (+)-isatisine a: application of a silicon-directed mukaiyama-type [3 + 2]-annulation.","The Journal of organic chemistry","2015","80","6","2959","2971","10.1021/acs.joc.5b00051","","","1.54178","CuKα","","0.025","0.0249","","","0.0763","0.0766","","","","","","0.769","","","","has coordinates","234262","2020-10-21","18:00:00",""
"4036119","9.1073","0.0003","9.5689","0.0003","12.2523","0.0004","94.511","0.002","96.832","0.002","117.146","0.002","932.65","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H42 N2 -","- C50 H42 N2 -","- C50 H42 N2 -","1","0.5","","Krzeszewski, Maciej; Gryko, Daniel T.","χ-Shaped bis(areno)-1,4-dihydropyrrolo[3,2-b]pyrroles generated by oxidative aromatic coupling.","The Journal of organic chemistry","2015","80","5","2893","2899","10.1021/acs.joc.5b00052","","","1.54178","CuKα","","0.0588","0.0536","","","0.1459","0.1499","","","","","","1.135","","","","has coordinates","234264","2020-10-21","18:00:00",""
"4036120","11.449","0.005","4.911","0.002","12.034","0.005","90","","95.046","0.008","90","","674","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Meng, Ling; Yang, Wen; Pan, Xuejing; Tao, Meng; Cheng, Guo; Wang, Sanyong; Zeng, Heping; Long, Yuhua; Yang, Dingqiao","Platinum-catalyzed asymmetric ring-opening reactions of oxabenzonorbornadienes with phenols.","The Journal of organic chemistry","2015","80","5","2503","2512","10.1021/acs.joc.5b00065","","","0.71073","MoKα","","0.1076","0.0492","","","0.1235","0.1676","","","","","","0.735","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036121","10.697","0.001","12.8787","0.0013","12.8484","0.0018","90","","120.842","0.003","90","","1519.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Yang, Zheng; Hao, Wen-Juan; Xu, Hai-Wei; Wang, Shu-Liang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Base-promoted transannulation of heterocyclic enamines and 2,3-epoxypropan-1-ones: regio- and stereoselective synthesis of fused pyridines and pyrroles.","The Journal of organic chemistry","2015","80","5","2781","2789","10.1021/acs.joc.5b00067","","","1.54178","CuKα","","0.2088","0.0692","","","0.0799","0.1281","","","","","","0.862","","","","has coordinates","234268","2020-10-21","18:00:00",""
"4036122","9.146","0.0008","10.6429","0.0009","12.1101","0.0011","77.659","0.001","88.687","0.002","67.853","0.001","1064.43","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Br Cl N O3 -","- C25 H17 Br Cl N O3 -","- C50 H34 Br2 Cl2 N2 O6 -","2","1","","Yang, Zheng; Hao, Wen-Juan; Xu, Hai-Wei; Wang, Shu-Liang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Base-promoted transannulation of heterocyclic enamines and 2,3-epoxypropan-1-ones: regio- and stereoselective synthesis of fused pyridines and pyrroles.","The Journal of organic chemistry","2015","80","5","2781","2789","10.1021/acs.joc.5b00067","","","0.71073","MoKα","","0.0909","0.0457","","","0.0928","0.1114","","","","","","1.008","","","","has coordinates","234269","2020-10-21","18:00:00",""
"4036123","25.171","0.008","6.816","0.002","7.736","0.002","90","","90.001","0.002","90","","1327.2","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 Br N O2 -","- C15 H10 Br N O2 -","- C60 H40 Br4 N4 O8 -","4","1","","Huang, Hai; He, Guangke; Zhu, Guohao; Zhu, Xiaolin; Qiu, Shineng; Zhu, Hongjun","Palladium-catalyzed intramolecular cyclization of ynamides: synthesis of 4-halo-oxazolones.","The Journal of organic chemistry","2015","80","7","3480","3487","10.1021/acs.joc.5b00071","","","0.71073","MoKα","","0.0423","0.0377","","","0.0968","0.1","","","","","","1.05","","","","has coordinates","234271","2020-10-21","18:00:00",""
"4036124","5.6","0.003","10.424","0.007","12.43","0.008","86.634","0.009","81.768","0.01","77.572","0.01","701","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br N O2 -","- C16 H12 Br N O2 -","- C32 H24 Br2 N2 O4 -","2","1","","Huang, Hai; He, Guangke; Zhu, Guohao; Zhu, Xiaolin; Qiu, Shineng; Zhu, Hongjun","Palladium-catalyzed intramolecular cyclization of ynamides: synthesis of 4-halo-oxazolones.","The Journal of organic chemistry","2015","80","7","3480","3487","10.1021/acs.joc.5b00071","","","0.71073","MoKα","","0.0886","0.0644","","","0.1693","0.2097","","","","","","1.034","","","","has coordinates","234272","2020-10-21","18:00:00",""
"4036125","9.3627","0.0004","9.4005","0.0003","11.8314","0.0005","90","","97.518","0.004","90","","1032.38","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C42 H46 N6 O10 -","2","1","","Fang, Bing; Liu, Xiaohua; Zhao, Jiannan; Tang, Yu; Lin, Lili; Feng, Xiaoming","Chiral bifunctional guanidine-catalyzed enantioselective Aza-Henry reaction of isatin-derived ketimines.","The Journal of organic chemistry","2015","80","6","3332","3338","10.1021/acs.joc.5b00075","","x-ray","1.54184","CuKα","","0.0636","0.0546","","","0.1416","0.1554","","","","","","1.033","","","","has coordinates","234274","2020-10-21","18:00:00",""
"4036126","11.1565","0.0003","9.6548","0.0002","15.7965","0.0004","90","","103.487","0.002","90","","1654.58","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H48 N4 O -","- C38 H48 N4 O -","- C76 H96 N8 O2 -","2","1","","Fang, Bing; Liu, Xiaohua; Zhao, Jiannan; Tang, Yu; Lin, Lili; Feng, Xiaoming","Chiral bifunctional guanidine-catalyzed enantioselective Aza-Henry reaction of isatin-derived ketimines.","The Journal of organic chemistry","2015","80","6","3332","3338","10.1021/acs.joc.5b00075","","x-ray","1.54184","CuKα","","0.0577","0.0555","","","0.1508","0.1556","","","","","","1.039","","","","has coordinates","234275","2020-10-21","18:00:00",""
"4036127","9.907","0.002","11.217","0.002","11.866","0.002","86.5","0.03","77.99","0.03","64.1","0.03","1159.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C56 H46 N2 O6 S2 -","2","1","","Li, Yin-Long; Li, Jian; Ma, Ai-Lun; Huang, Ya-Nan; Deng, Jun","Metal-free synthesis of indole via NIS-mediated cascade C-N bond formation/aromatization.","The Journal of organic chemistry","2015","80","8","3841","3851","10.1021/acs.joc.5b00090","","","0.71073","MoKα","","0.0959","0.0562","","","0.135","0.151","","","","","","0.994","","","","has coordinates","234277","2020-10-21","18:00:00",""
"4036128","24.592","0.003","8.4874","0.0009","19.112","0.002","90","","125.939","0.002","90","","3229.7","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","1","","Alcaide, Benito; Almendros, Pedro; Herrera, Fernando; Luna, Amparo; de Orbe, M. Elena; Torres, M. Rosario","Gallium-catalyzed domino arylation/oxycyclization of allenes with phenols.","The Journal of organic chemistry","2015","80","8","4157","4163","10.1021/acs.joc.5b00106","","","0.71073","MoKα","","0.1312","0.0437","","","0.0812","0.097","","","","","","0.996","","","","has coordinates","234279","2020-10-21","18:00:00",""
"4036129","9.6614","0.0012","11.0297","0.0013","13.6784","0.0016","102.519","0.002","105.735","0.002","102.476","0.002","1309.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 N2 O4 S -","- C28 H31 N2 O4 S -","- C56 H62 N4 O8 S2 -","2","1","","Yu, Lian; Deng, Yuan; Cao, Jian","Regioselective Synthesis of Highly Substituted Imidazoles via the Sequential Reaction of Allenyl Sulfonamides and Amines.","The Journal of organic chemistry","2015","80","9","4729","4735","10.1021/acs.joc.5b00141","","","0.71073","MoKα","","0.0756","0.0513","","","0.146","0.1687","","","","","","1.017","","","","has coordinates","234281","2020-10-21","18:00:00",""
"4036130","11.324","0.002","8.6176","0.0018","11.838","0.003","90","","105.763","0.004","90","","1111.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N2 O P -","- C25 H25 N2 O P -","- C50 H50 N4 O2 P2 -","2","1","","Yu, Lian; Deng, Yuan; Cao, Jian","Regioselective Synthesis of Highly Substituted Imidazoles via the Sequential Reaction of Allenyl Sulfonamides and Amines.","The Journal of organic chemistry","2015","80","9","4729","4735","10.1021/acs.joc.5b00141","","","0.71073","MoKα","","0.0397","0.0338","","","0.0777","0.0812","","","","","","1.037","","","","has coordinates","234283","2020-10-21","18:00:00",""
"4036131","12.0256","0.0013","8.4182","0.0009","22.784","0.002","90","","100.093","0.002","90","","2270.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N2 O P -","- C26 H27 N2 O P -","- C104 H108 N8 O4 P4 -","4","1","","Yu, Lian; Deng, Yuan; Cao, Jian","Regioselective Synthesis of Highly Substituted Imidazoles via the Sequential Reaction of Allenyl Sulfonamides and Amines.","The Journal of organic chemistry","2015","80","9","4729","4735","10.1021/acs.joc.5b00141","","","0.71073","MoKα","","0.0556","0.04","","","0.0947","0.1051","","","","","","1.036","","","","has coordinates","234284","2020-10-21","18:00:00",""
"4036132","8.0904","0.001","9.992","0.0012","13.4675","0.0016","82.598","0.002","87.292","0.002","68.4661","0.0019","1004.3","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H32 O2 Si -","- C21 H32 O2 Si -","- C42 H64 O4 Si2 -","2","1","","Ying, Jun; Brown, Kenneth B.; Sandridge, Matthew J.; Hering, Brooke A.; Sabat, Michal; Pu, Lin","Rh(I)-catalyzed chemo- and stereoselective domino cycloaddition of optically active propargyl 2,4-hexadienyl ethers.","The Journal of organic chemistry","2015","80","6","3195","3202","10.1021/acs.joc.5b00150","","","0.71073","MoKα","","0.0767","0.0638","","","0.1811","0.1976","","","","","","0.984","","","","has coordinates","234286","2020-10-21","18:00:00",""
"4036133","13.0908","0.0002","6.7839","0.0001","20.8733","0.0004","90","","95.182","0.002","90","","1846.11","0.05","173","2","173","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H20 F N3 O5 -","- C20 H20 F N3 O5 -","- C80 H80 F4 N12 O20 -","4","1","","Medvecky, Michal; Istrate, Alena; Leumann, Christian J.","Synthesis and properties of 6'-fluoro-tricyclo-DNA.","The Journal of organic chemistry","2015","80","7","3556","3565","10.1021/acs.joc.5b00184","","","0.71073","MoKα","","0.0506","0.0405","","","0.0845","0.0913","","","","","","1.033","","","","has coordinates","234288","2020-10-21","18:00:00",""
"4036134","9.6199","0.0002","13.6428","0.0003","10.5086","0.0003","90","","111.148","0.0013","90","","1286.29","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H24 N2 O4 -","- C34 H24 N2 O4 -","- C68 H48 N4 O8 -","2","1","","Noji, Masahiro; Kobayashi, Toshihiro; Uechi, Yuria; Kikuchi, Asami; Kondo, Hisako; Sugiyama, Shigeo; Ishii, Keitaro","Asymmetric epoxidation of allylic alcohols catalyzed by vanadium-binaphthylbishydroxamic Acid complex.","The Journal of organic chemistry","2015","80","6","3203","3210","10.1021/acs.joc.5b00185","","","1.54187","CuKα","","","0.0792","","","","0.2214","","","","","","1.07","","","","has coordinates","234289","2020-10-21","18:00:00",""
"4036135","9.69422","0.00018","14.6953","0.0003","23.5832","0.0005","90","","90","","90","","3359.65","0.12","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H36 N2 O4 -","- C43 H36 N2 O4 -","- C172 H144 N8 O16 -","4","1","","Noji, Masahiro; Kobayashi, Toshihiro; Uechi, Yuria; Kikuchi, Asami; Kondo, Hisako; Sugiyama, Shigeo; Ishii, Keitaro","Asymmetric epoxidation of allylic alcohols catalyzed by vanadium-binaphthylbishydroxamic Acid complex.","The Journal of organic chemistry","2015","80","6","3203","3210","10.1021/acs.joc.5b00185","","","1.54187","CuKα","","","0.0423","","","","0.0928","","","","","","1.081","","","","has coordinates","234290","2020-10-21","18:00:00",""
"4036136","12.7178","0.0004","7.5494","0.0002","14.0334","0.0004","90","","109.232","0.0003","90","","1272.18","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Br O2 -","- C13 H19 Br O2 -","- C52 H76 Br4 O8 -","4","1","","Shao, Wenjie; Clive, Derrick L. J.","Synthesis of substituted resorcinol monomethyl ethers from 2-bromo-3-methoxycyclohex-2-en-1-ones.","The Journal of organic chemistry","2015","80","6","3211","3216","10.1021/acs.joc.5b00192","","","0.71073","MoKα","","0.0232","0.0208","","","0.0538","0.055","","","","","","1.03","","","","has coordinates","234291","2020-10-21","18:00:00",""
"4036137","9.856","0.004","15.543","0.007","17.398","0.007","90","","90","","90","","2665.2","1.9","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Br Cl2 N2 O3 -","- C30 H27 Br Cl2 N2 O3 -","- C120 H108 Br4 Cl8 N8 O12 -","4","1","","Wang, Yang; Tu, Man-Su; Yin, Lei; Sun, Meng; Shi, Feng","Brønsted acid catalyzed asymmetric diels-alder reactions: stereoselective construction of spiro[tetrahydrocarbazole-3,3'-oxindole] framework.","The Journal of organic chemistry","2015","80","6","3223","3232","10.1021/acs.joc.5b00198","","","0.71073","MoKα","","0.091","0.0798","","","0.2091","0.2175","","","","","","1.054","","","","has coordinates","234293","2020-10-21","18:00:00",""
"4036138","11.971","0.002","11.971","0.002","16.556","0.003","90","","90","","90","","2372.6","0.7","173.15","","173.15","","","","","","","","","6","P 41","P 4w","76","","","","- C24 H23 Br F3 N O3 -","- C24 H23 Br F3 N O3 -","- C96 H92 Br4 F12 N4 O12 -","4","1","","Wang, Dong-Ling; Liang, Zhi-Qin; Chen, Kun-Quan; Sun, De-Qun; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of trifluoromethyldihydropyridinones.","The Journal of organic chemistry","2015","80","11","5900","5905","10.1021/acs.joc.5b00232","","","0.71073","MoKα","","0.0456","0.0405","","","0.0886","0.0918","","","","","","1.114","","","","has coordinates","234295","2020-10-21","18:00:00",""
"4036139","35.939","0.005","11.4367","0.0017","22.415","0.003","90","","118.668","0.002","90","","8084","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H50 B Cl P S4 -","- C39.5 H42 B Cl P S4 -","- C316 H336 B8 Cl8 P8 S32 -","8","1","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.076","0.0437","","","0.1533","0.1704","","","","","","1.024","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036140","10.0104","0.0014","13.3519","0.0019","23.116","0.003","82.239","0.003","89.817","0.003","68.13","0.002","2837.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 B2 P2 S4 -","- C58 H84 B2 P2 S4 -","- C116 H168 B4 P4 S8 -","2","1","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.0701","0.0375","","","0.0965","0.106","","","","","","0.909","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036141","9.9438","0.0016","17.258","0.003","27.89","0.005","90","","98.592","0.003","90","","4732.5","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H62 B2 P2 S4 -","- C44 H62 B2 P2 S4 -","- C176 H248 B8 P8 S16 -","4","2","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.1668","0.1002","","","0.2783","0.3288","","","","","","1.094","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036142","9.947","0.0016","17.253","0.003","27.87","0.005","90","","98.649","0.003","90","","4728.5","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H62 B2 P2 S4 -","- C44 H62 B2 P2 S4 -","- C176 H248 B8 P8 S16 -","4","2","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.1072","0.0618","","","0.18","0.2173","","","","","","0.986","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036143","7.8332","0.0003","12.1246","0.0004","13.0964","0.0004","90","","102.159","0.001","90","","1215.92","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Martínez-López, David; Yu, Meng-Long; García-Iriepa, Cristina; Campos, Pedro J.; Frutos, Luis Manuel; Golen, James A.; Rasapalli, Sivappa; Sampedro, Diego","Hydantoin-based molecular photoswitches.","The Journal of organic chemistry","2015","80","8","3929","3939","10.1021/acs.joc.5b00244","","","1.54178","CuKα","","0.0459","0.0428","","","0.1259","0.131","","","","","","1.017","","","","has coordinates","234299","2020-10-21","18:00:00",""
"4036144","8.46912","0.00008","9.73854","0.00011","22.7407","0.0002","90","","90","","90","","1875.58","0.03","130","0.1","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 I N O4 -","- C20 H18 I N O4 -","- C80 H72 I4 N4 O16 -","4","1","","Priebbenow, Daniel L.; Gable, Robert W.; Baell, Jonathan","Regio- and stereoselective iodoacyloxylations of alkynes.","The Journal of organic chemistry","2015","80","9","4412","4418","10.1021/acs.joc.5b00250","","x-ray","1.54184","CuKα","","0.0185","0.0178","","","0.0452","0.0457","","","","","","1.085","","","","has coordinates","234301","2020-10-21","18:00:00",""
"4036145","5.7653","0.0002","8.9351","0.0004","17.7277","0.0009","89.483","0.004","88.583","0.004","72.496","0.004","870.66","0.07","130.01","0.1","130.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 I O2 -","- C21 H15 I O2 -","- C42 H30 I2 O4 -","2","1","","Priebbenow, Daniel L.; Gable, Robert W.; Baell, Jonathan","Regio- and stereoselective iodoacyloxylations of alkynes.","The Journal of organic chemistry","2015","80","9","4412","4418","10.1021/acs.joc.5b00250","","x-ray","1.54184","CuKα","","0.0493","0.0454","","","0.1358","0.1376","","","","","","1.083","","","","has coordinates","234302","2020-10-21","18:00:00",""
"4036146","25.9617","0.0005","8.38374","0.00012","14.3655","0.0002","90","","102.867","0.0015","90","","3048.22","0.09","130.01","0.1","130.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 I N O2 -","- C17 H12 I N O2 -","- C136 H96 I8 N8 O16 -","8","1","","Priebbenow, Daniel L.; Gable, Robert W.; Baell, Jonathan","Regio- and stereoselective iodoacyloxylations of alkynes.","The Journal of organic chemistry","2015","80","9","4412","4418","10.1021/acs.joc.5b00250","","x-ray","1.54184","CuKα","","0.026","0.0242","","","0.0626","0.0645","","","","","","1.029","","","","has coordinates","234303","2020-10-21","18:00:00",""
"4036147","12.373","0.004","15.283","0.005","14.826","0.005","90","","98.377","0.004","90","","2773.6","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 N2 O2 P -","- C33 H31 N2 O2 P -","- C132 H124 N8 O8 P4 -","4","1","","Lin, Chao-Yang; Sun, Zhao; Xu, Yan-Jun; Lu, Chong-Dao","Synthesis of aryl anti-vicinal diamines via aza-Brook rearrangement-initiated nucleophilic addition of α-silylamines to imines.","The Journal of organic chemistry","2015","80","7","3714","3722","10.1021/acs.joc.5b00255","","","0.71073","MoKα","","0.0926","0.0628","","","0.2041","0.2372","","","","","","1.09","","","","has coordinates","234305","2020-10-21","18:00:00",""
"4036148","17.4936","0.0003","22.4947","0.0003","23.0451","0.0003","90","","90","","90","","9068.6","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C86 H84 N8 O16 Rh2 -","- C86 H84 N8 O16 Rh2 -","- C344 H336 N32 O64 Rh8 -","4","1","","Lebel, Hélène; Piras, Henri","Stereoselective synthesis of chiral sulfilimines from N-mesyloxycarbamates: metal-nitrenes versus metal-nitrenoids species.","The Journal of organic chemistry","2015","80","7","3572","3585","10.1021/acs.joc.5b00256","","x-ray","1.54178","CuKα","","0.0354","0.0327","","","0.0896","0.0911","","","","","","1.047","","","","has coordinates,has disorder","234307","2020-10-21","18:00:00",""
"4036149","10.723","0.0004","6.055","0.0002","13.7208","0.0005","90","","105.927","0.001","90","","856.66","0.05","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl3 N O2 S -","- C14 H18 Cl3 N O2 S -","- C28 H36 Cl6 N2 O4 S2 -","2","1","","Lebel, Hélène; Piras, Henri","Stereoselective synthesis of chiral sulfilimines from N-mesyloxycarbamates: metal-nitrenes versus metal-nitrenoids species.","The Journal of organic chemistry","2015","80","7","3572","3585","10.1021/acs.joc.5b00256","","x-ray","1.54178","CuKα","","0.0283","0.0281","","","0.0717","0.072","","","","","","1.068","","","","has coordinates","234309","2020-10-21","18:00:00",""
"4036150","18.8047","0.0012","12.8679","0.0009","18.8388","0.0013","90","","99.556","0.007","90","","4495.3","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C208 H168 N8 O16 -","8","1","","Liu, Le; Wang, Jianbo; Zhou, Hongwei","Selectfluor-Promoted Sequential Reactions via Allene Intermediates: Metal-Free Construction of Fused Polycyclic Skeletons.","The Journal of organic chemistry","2015","80","9","4749","4753","10.1021/acs.joc.5b00261","","","0.71073","MoKα","","0.0995","0.0652","","","0.188","0.2087","","","","","","1.049","","","","has coordinates","234310","2020-10-21","18:00:00",""
"4036151","14.7196","0.0007","5.8118","0.0002","15.2737","0.0006","90","","109.568","0.003","90","","1231.16","0.09","210","2","210","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Phenyl-3a,8-dihydro-3H-pyrazolo[5,1-a]isoindol-2-ol","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Schmidt, Bernd; Elizarov, Nelli; Schilde, Uwe; Kelling, Alexandra","Dual Role of Acetanilides: Traceless Removal of a Directing Group through Deacetylation/Diazotation and Palladium-Catalyzed C-C-Coupling Reactions.","The Journal of organic chemistry","2015","80","9","4223","4234","10.1021/acs.joc.5b00272","","","0.71073","MoKα","","0.0519","0.0332","","","0.0761","0.0822","","","","","","0.941","","","","has coordinates","234312","2020-10-21","18:00:00",""
"4036152","6.2816","0.0003","28.4861","0.0016","11.4483","0.0006","90","","102.171","0.003","90","","2002.49","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.0908","0.07","","","0.2204","0.2397","","","","","","1.801","","","","has coordinates","234314","2020-10-21","18:00:00",""
"4036153","12.5448","0.0006","11.8243","0.0005","21.3466","0.001","90","","90","","90","","3166.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C144 H136 N8 O24 S8 -","8","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.0567","0.0467","","","0.1635","0.1829","","","","","","1.55","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036154","24.7389","0.001","8.0887","0.0003","21.7176","0.0009","90","","114.145","0.004","90","","3965.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N2 O4 S -","- C23 N2 O4 S -","- C184 N16 O32 S8 -","8","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.13","0.1039","","","0.3189","0.3388","","","","","","2.544","","","","has coordinates","234318","2020-10-21","18:00:00",""
"4036155","23.1139","0.0009","10.9419","0.0005","15.74","0.0006","90","","93.904","0.002","90","","3971.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C160 H176 N16 O32 S8 -","8","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.113","0.0725","","","0.2117","0.2479","","","","","","1.7","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036156","9.959","0.0014","9.9943","0.0014","11.4282","0.0016","74.08","0.002","77.755","0.002","64.182","0.001","979","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C50 H40 O6 -","2","1","","Shang, Yongjia; Hu, Xiaoqian; He, Xinwei; Tao, Jiajia; Han, Guang; Wu, Fuli; Wang, Jie","FeCl3-Mediated Synthesis of β-Alkynyl Ketones via Domino Nucleophilic-Substitution/Intramolecular-Cyclization/Reverse Claisen Condensation of N-Cyclohexyl Propargylamines and 1,3-Diketones.","The Journal of organic chemistry","2015","80","9","4760","4765","10.1021/acs.joc.5b00281","","","0.71073","MoKα","","0.0473","0.0405","","","0.1097","0.1163","","","","","","1.053","","","","has coordinates","234322","2020-10-21","18:00:00",""
"4036157","11.5642","0.0006","9.0929","0.0003","11.262","0.0004","90","","107.084","0.005","90","","1131.97","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Sandoval-Lira, Jacinto; Fuentes, Lilia; Quintero, Leticia; Höpfl, Herbert; Hernández-Pérez, Julio M; Terán, Joel L; Sartillo-Piscil, Fernando","The Stabilizing Role of the Intramolecular C-H···O Hydrogen Bond in Cyclic Amides Derived From α-Methylbenzylamine.","The Journal of organic chemistry","2015","80","9","4481","4490","10.1021/acs.joc.5b00286","","","0.71073","MoKα","","0.1081","0.0514","","","0.1031","0.1276","","","","","","1.017","","","","has coordinates","234324","2020-10-21","18:00:00",""
"4036158","6.4047","0.0006","11.833","0.005","20.4531","0.0019","90","","90","","90","","1550.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Sandoval-Lira, Jacinto; Fuentes, Lilia; Quintero, Leticia; Höpfl, Herbert; Hernández-Pérez, Julio M; Terán, Joel L; Sartillo-Piscil, Fernando","The Stabilizing Role of the Intramolecular C-H···O Hydrogen Bond in Cyclic Amides Derived From α-Methylbenzylamine.","The Journal of organic chemistry","2015","80","9","4481","4490","10.1021/acs.joc.5b00286","","","0.71073","MoKα","","0.0596","0.0435","","","0.0862","0.0971","","","","","","1.066","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036159","34.1629","0.0008","20.3663","0.0004","19.4299","0.0003","90","","104.204","0.002","90","","13105.5","0.5","180","0.1","180","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H41 N3 O -","- C84 H41 N3 O -","- C672 H328 N24 O8 -","8","1","","Liang, Sisi; Xu, Liang; Gan, Liangbing","Synthesis and chemical reactivity of tetrahydro[60]fullerene epoxides with both amino and aryl addends.","The Journal of organic chemistry","2015","80","8","3957","3964","10.1021/acs.joc.5b00287","","","0.7107","MoKα","","0.1023","0.0817","","","0.2338","0.2481","","","","","","1.073","","","","has coordinates","234328","2020-10-21","18:00:00",""
"4036160","15.916","0.002","11.755","0.003","25.654","0.005","90","","106.285","0.003","90","","4607.1","1.6","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 O1.5 S -","- C28 H25 N3 O1.5 S -","- C224 H200 N24 O12 S8 -","8","2","","Wen, Li-Rong; Yuan, Wen-Kui; Li, Ming","Dual Roles of β-Oxodithioesters in the Copper-Catalyzed Synthesis of Benzo[e]pyrazolo[1,5-c][1,3]thiazine Derivatives.","The Journal of organic chemistry","2015","80","10","4942","4949","10.1021/acs.joc.5b00288","","","0.71073","MoKα","","0.0957","0.0805","","","0.1523","0.1603","","","","","","1.17","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4036161","9.1085","0.0012","11.2556","0.0014","18.194","0.002","77.224","0.002","80.557","0.002","87.831","0.002","1794.4","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H39 Br N2 O8 S -","- C39 H39 Br N2 O8 S -","- C78 H78 Br2 N4 O16 S2 -","2","2","","Liu, Teng; Liu, Weiwei; Li, Xiaonian; Peng, Fangzhi; Shao, Zhihui","Catalytic Asymmetric Construction of Vicinal Tetrasubstituted Stereocenters by the Mannich Reaction of Linear α-Substituted Monothiomalonates with Isatin N-Boc Ketimines.","The Journal of organic chemistry","2015","80","10","4950","4956","10.1021/acs.joc.5b00302","","","0.71073","MoKα","","0.0528","0.0437","","","0.1093","0.1127","","","","","","0.992","","","","has coordinates","234333","2020-10-21","18:00:00",""
"4036162","7.916","0.0013","13.6054","0.001","17.845","0.002","90","","94.441","0.014","90","","1916.1","0.4","106.7","","106.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2,4-thiadiazinane 6b","Ethyl rel(4bR,5R,13bS)-4b,5,9,13b,15,16-hexahydro-8H-[1,2,4]thiadiazino[3,2-a:5,4-a']diisoquinoline-5-carboxylate 6,6-dioxide","","- C22 H24 N2 O4 S -","- C22 H24 N2 O4 S -","- C88 H96 N8 O16 S4 -","4","1","","Yang, Zhanhui; Chen, Ning; Xu, Jiaxi","Substituent-controlled annuloselectivity and stereoselectivity in the sulfa-Staudinger cycloadditions.","The Journal of organic chemistry","2015","80","7","3611","3620","10.1021/acs.joc.5b00312","","","0.7107","MoKα","","0.046","0.0373","","","0.0838","0.0897","","","","","","1.043","","","","has coordinates","234334","2020-10-21","18:00:00",""
"4036163","12.65","0.003","9.735","0.0019","23.36","0.005","90","","101.6","0.03","90","","2818","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N3 Ni O3 -","- C33 H29 N3 Ni O3 -","- C132 H116 N12 Ni4 O12 -","4","1","","Zhang, Fan; Sun, Hengzhi; Song, Zhuang; Zhou, Shuxi; Wen, Xiaoan; Xu, Qing-Long; Sun, Hongbin","Stereoselective Synthesis of Arylglycine Derivatives via Palladium-Catalyzed α-Arylation of a Chiral Nickel(II) Glycinate.","The Journal of organic chemistry","2015","80","9","4459","4464","10.1021/acs.joc.5b00314","","","0.71073","MoKα","","0.0747","0.0437","","","0.102","0.1141","","","","","","1","","","","has coordinates","234336","2020-10-21","18:00:00",""
"4036164","9.1098","0.0002","9.1098","0.0002","29.0236","0.0008","90","","90","","120","","2085.93","0.09","223","2","223","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C72 H126 N6 O18 S6 -","6","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0458","0.0438","","","0.097","0.0983","","","","","","1.046","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036165","9.1086","0.0002","9.1086","0.0002","29.0117","0.0008","90","","90","","120","","2084.52","0.09","223","2","223","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C72 H126 N6 O18 S6 -","6","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0415","0.0379","","","0.0951","0.0977","","","","","","1.036","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036166","6.4823","0.0004","8.3175","0.0006","13.0478","0.0008","90","","93.143","0.004","90","","702.43","0.08","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C24 H42 N2 O6 S2 -","2","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0482","0.0445","","","0.1134","0.1174","","","","","","1.044","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036167","6.4701","0.0009","8.3119","0.001","13.054","0.002","90","","93.313","0.005","90","","700.86","0.17","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C24 H42 N2 O6 S2 -","2","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0727","0.0674","","","0.1796","0.1886","","","","","","1.058","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036168","18.2665","0.0013","11.8338","0.0007","19.3611","0.0014","90","","113.875","0.008","90","","3827","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 O -","- C27 H18 O -","- C216 H144 O8 -","8","2","","Wallbaum, Jan; Jones, Peter G.; Werz, Daniel B.","Reacting cyclopropenones with arynes: access to spirocyclic xanthene-cyclopropene motifs.","The Journal of organic chemistry","2015","80","7","3730","3734","10.1021/acs.joc.5b00330","","","0.71073","MoKα","","0.0773","0.0507","","","0.0969","0.1079","","","","","","1.04","","","","has coordinates","234339","2020-10-21","18:00:00",""
"4036169","19.114","0.0018","20.524","0.002","5.798","0.0006","90","","90","","90","","2274.5","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O6 -","- C26 H30 O6 -","- C104 H120 O24 -","4","1","","Dethe, Dattatraya H.; Dherange, Balu D.","Enantioselective total syntheses of (+)-hostmanin A, (-)-linderol A, (+)-methyllinderatin and structural reassignment of adunctin E.","The Journal of organic chemistry","2015","80","9","4526","4531","10.1021/acs.joc.5b00331","","","0.71073","MoKα","","0.1151","0.078","","","0.2162","0.2421","","","","","","1.012","","","","has coordinates","234340","2020-10-21","18:00:00",""
"4036170","12.4099","0.0018","4.9012","0.0007","21.768","0.003","90","","105.392","0.008","90","","1276.5","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 F3 N2 O5 -","- C28 H27 F3 N2 O5 -","- C56 H54 F6 N4 O10 -","2","1","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54178","CuKα","","0.0695","0.0416","","","0.1175","0.1446","","","","","","1.068","","","","has coordinates","234342","2020-10-21","18:00:00",""
"4036171","4.7783","0.0002","24.114","0.001","10.8711","0.0005","90","","98.831","0.004","90","","1237.76","0.09","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 F3 N2 O4 -","- C27 H31 F3 N2 O4 -","- C54 H62 F6 N4 O8 -","2","1","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54184","CuKα","","0.0697","0.0689","","","0.1892","0.1901","","","","","","1.014","","","","has coordinates","234344","2020-10-21","18:00:00",""
"4036172","14.4409","0.0006","6.4059","0.0003","21.8029","0.001","90","","94.977","0.003","90","","2009.32","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 N2 O3 -","- C20 H25 F3 N2 O3 -","- C80 H100 F12 N8 O12 -","4","2","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54178","CuKα","","0.0715","0.0623","","","0.1804","0.1935","","","","","","1.05","","","","has coordinates","234346","2020-10-21","18:00:00",""
"4036173","18.348","0.006","7.522","0.002","12.006","0.004","90","","104.643","0.006","90","","1603.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 B10 N2 S -","- C10 H14 B10 N2 S -","- C40 H56 B40 N8 S4 -","4","1","","Kim, So-Yoen; Lee, Ah-Rang; Jin, Guo Fan; Cho, Yang-Jin; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Electronic Alteration on Oligothiophenes by o-Carborane: Electron Acceptor Character of o-Carborane in Oligothiophene Frameworks with Dicyano-Vinyl End-On Group.","The Journal of organic chemistry","2015","80","9","4573","4580","10.1021/acs.joc.5b00336","","","0.71073","MoKα","","0.1278","0.0758","","","0.2002","0.2479","","","","","","1.066","","","","has coordinates","234348","2020-10-21","18:00:00",""
"4036174","15.986","0.008","11.333","0.006","14.165","0.007","90","","114.529","0.008","90","","2335","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B10 N4 S2 -","- C18 H16 B10 N4 S2 -","- C72 H64 B40 N16 S8 -","4","0.5","","Kim, So-Yoen; Lee, Ah-Rang; Jin, Guo Fan; Cho, Yang-Jin; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Electronic Alteration on Oligothiophenes by o-Carborane: Electron Acceptor Character of o-Carborane in Oligothiophene Frameworks with Dicyano-Vinyl End-On Group.","The Journal of organic chemistry","2015","80","9","4573","4580","10.1021/acs.joc.5b00336","","","0.71073","MoKα","","0.1313","0.0932","","","0.2462","0.2616","","","","","","1.184","","","","has coordinates","234348","2020-10-21","18:00:00",""
"4036175","14.796","0.004","14.826","0.004","17.185","0.005","92.321","0.005","95.308","0.005","95.191","0.004","3733.7","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H90 Br2 N4 Ni -","- C76 H88 Br2 N4 Ni -","- C152 H176 Br4 N8 Ni2 -","2","1","","Di Carlo, Gabriele; Orbelli Biroli, Alessio; Tessore, Francesca; Rizzato, Silvia; Forni, Alessandra; Magnano, Giulia; Pizzotti, Maddalena","Light-Induced Regiospecific Bromination of meso-Tetra(3,5-di-tert-butylphenyl)Porphyrin on 2,12 β-Pyrrolic Positions.","The Journal of organic chemistry","2015","80","10","4973","4980","10.1021/acs.joc.5b00367","","","0.71073","MoKα","","0.136","0.0873","","","0.2411","0.2744","","","","","","1.07","","","","has coordinates,has disorder","234350","2020-10-21","18:00:00",""
"4036176","20.1712","0.0006","5.5819","0.0001","28.3409","0.0009","90","","107.75","0.004","90","","3039.1","0.16","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H48 N2 O3 S -","- C31 H48 N2 O3 S -","- C124 H192 N8 O12 S4 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Shah, Rushabh S.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of nakinadine D, nakinadine E, and nakinadine F: confirmation of their relative (RS,SR)-configurations and proposal of their absolute (2S,3R)-configurations.","The Journal of organic chemistry","2015","80","8","4017","4029","10.1021/acs.joc.5b00376","","","1.5418","CuKα","","0.041","0.0359","","0.0948","0.0891","0.0947","","","","","","1","","","","has coordinates","234352","2020-10-21","18:00:00",""
"4036177","8.2508","0.0004","11.0623","0.0005","11.3405","0.0005","103.306","0.004","95.478","0.004","100.9","0.004","978.6","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 Cl O3 -","- C23 H19 Cl O3 -","- C46 H38 Cl2 O6 -","2","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","1.54184","CuKα","","0.0707","0.0648","","","0.1959","0.204","","","","","","1.067","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036178","15.467","0.003","5.7705","0.001","22.341","0.005","90","","99.1","0.02","90","","1968.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","0.71073","MoKα","","0.1545","0.0701","","","0.1344","0.1746","","","","","","1.024","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036179","11.8106","0.0011","8.1876","0.0009","19.816","0.003","90","","104.297","0.011","90","","1856.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","0.71073","MoKα","","0.1013","0.0599","","","0.1565","0.1865","","","","","","0.963","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036180","12.3414","0.0004","20.8549","0.0006","6.9482","0.0002","90","","90","","90","","1788.32","0.09","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","1.54184","CuKα","","0.0483","0.0411","","","0.0988","0.1049","","","","","","1.075","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036181","15.4744","0.0003","16.1876","0.0003","15.6267","0.0003","90","","100.335","0.0018","90","","3850.87","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 N O5 -","- C23 H17 N O5 -","- C184 H136 N8 O40 -","8","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","1.54184","CuKα","","0.0703","0.0666","","","0.1549","0.1592","","","","","","1.146","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036182","13.8025","0.0013","12.8183","0.0006","16.7453","0.0008","90","","90","","90","","2962.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 B F4 N O -","- C14 H16 B F3.9996 N O -","- C112 H128 B8 F31.9968 N8 O8 -","8","1","","Barbero, Margherita; Buscaino, Roberto; Cadamuro, Silvano; Dughera, Stefano; Gualandi, Andrea; Marabello, Domenica; Cozzi, Pier Giorgio","Synthesis of bench-stable diarylmethylium tetrafluoroborates.","The Journal of organic chemistry","2015","80","9","4791","4796","10.1021/acs.joc.5b00418","","x-ray","0.71073","MoKα","","0.1005","0.0889","","","0.2737","0.2891","","","","","","1.012","","","","has coordinates,has disorder","234357","2020-10-21","18:00:00",""
"4036183","9.0607","0.0003","12.9754","0.0004","13.6636","0.001","90","","93.395","0.007","90","","1603.56","0.14","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","compound 1","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","1.54187","CuKα","","0.046","0.0394","","","0.0996","0.1036","","","","","","1.088","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036184","7.7461","0.0002","13.7554","0.0003","8.0544","0.0006","90","","106.57","0.007","90","","822.56","0.07","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","compound 2","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","1.54187","CuKα","","0.0731","0.0615","","","0.1639","0.1909","","","","","","1.111","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036185","9.3674","0.001","18.924","0.002","9.5002","0.001","90","","92.427","0.007","90","","1682.6","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","compound 3","","","- C19 H22 O3 -","- C19 H22 O3 -","- C76 H88 O12 -","4","1","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","0.71075","MoKα","","0.1458","0.0877","","","0.1433","0.1621","","","","","","1.166","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036186","8.2249","0.0003","15.9388","0.0005","19.3071","0.0013","90.772","0.006","100.563","0.007","97.981","0.007","2462.1","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","compound 4","","","- C19 H22 O3 -","- C19 H22 O3 -","- C114 H132 O18 -","6","3","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","0.71075","MoKα","","0.0474","0.0389","","","0.0947","0.0999","","","","","","1.094","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036187","14.566","0.003","20.54","0.004","7.8955","0.0014","90","","95.933","0.006","90","","2349.6","0.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H18 F4 N -","- C36.5 H18 F4 N -","- C146 H72 F16 N4 -","4","1","","Kumar, Sushil; Tao, Yu-Tai","Synthesis of Polyarylated Carbazoles: Discovery toward Soluble Phenanthro- and Tetraceno-Fused Carbazole Derivatives.","The Journal of organic chemistry","2015","80","10","5066","5076","10.1021/acs.joc.5b00423","","","0.71073","MoKα","","0.1328","0.0724","","","0.1576","0.1795","","","","","","1.141","","","","has coordinates,has disorder","234361","2020-10-21","18:00:00",""
"4036188","28.9098","0.0015","11.3723","0.0005","28.865","0.002","90","","119.143","0.001","90","","8288.6","0.8","100","0.2","100","0.2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C55 H39 O7 -","- C55 H39 O7 -","- C440 H312 O56 -","8","1","","Kumar, Sushil; Tao, Yu-Tai","Synthesis of Polyarylated Carbazoles: Discovery toward Soluble Phenanthro- and Tetraceno-Fused Carbazole Derivatives.","The Journal of organic chemistry","2015","80","10","5066","5076","10.1021/acs.joc.5b00423","","","0.71073","MoKα","","0.0874","0.0601","","","0.1472","0.1597","","","","","","1.085","","","","has coordinates,has disorder","234363","2020-10-21","18:00:00",""
"4036189","6.7266","0.0009","13.5479","0.0019","7.8299","0.0011","90","","105.259","0.001","90","","688.39","0.16","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 B F2 N2 O2 -","- C4 H7 B F2 N2 O2 -","- C16 H28 B4 F8 N8 O8 -","4","1","","Morita, Nobuyoshi; Kono, Rina; Fukui, Kenji; Miyazawa, Asuka; Masu, Hyuma; Azumaya, Isao; Ban, Shintaro; Hashimoto, Yoshimitsu; Okamoto, Iwao; Tamura, Osamu","BF3-Mediated cis-Selective Cycloaddition of O-Silyloxime with Alkenes.","The Journal of organic chemistry","2015","80","9","4797","4802","10.1021/acs.joc.5b00426","","","0.71073","MoKα","","0.0348","0.0324","","","0.0907","0.0922","","","","","","1.087","","","","has coordinates","234364","2020-10-21","18:00:00",""
"4036190","12.7329","0.0003","9.8758","0.0002","20.0466","0.0005","90","","90","","90","","2520.81","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 S3 -","- C14 H8 N2 S3 -","- C112 H64 N16 S24 -","8","1","","Nielsen, Christian B.; White, Andrew J. P.; McCulloch, Iain","Effect of fluorination of 2,1,3-benzothiadiazole.","The Journal of organic chemistry","2015","80","10","5045","5048","10.1021/acs.joc.5b00430","","","0.71073","MoKα","","0.0614","0.0479","","","0.1323","0.1381","","","","","","1.15","","","","has coordinates,has disorder","234366","2020-10-21","18:00:00",""
"4036191","15.734","0.0009","4.8131","0.0002","17.7517","0.0008","90","","104.822","0.005","90","","1299.59","0.11","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 F2 N2 S3 -","- C14 H6 F2 N2 S3 -","- C56 H24 F8 N8 S12 -","4","1","","Nielsen, Christian B.; White, Andrew J. P.; McCulloch, Iain","Effect of fluorination of 2,1,3-benzothiadiazole.","The Journal of organic chemistry","2015","80","10","5045","5048","10.1021/acs.joc.5b00430","","","1.54184","CuKα","","0.058","0.0453","","","0.1167","0.1259","","","","","","1.033","","","","has coordinates,has disorder","234366","2020-10-21","18:00:00",""
"4036192","8.7785","0.0009","13.8258","0.0013","15.4586","0.0017","90","","90","","90","","1876.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoK/a","","0.1307","0.062","","","0.1481","0.1789","","","","","","1.007","","","","has coordinates","234368","2020-10-21","18:00:00",""
"4036193","7.213","0.0003","12.9671","0.0005","14.1141","0.0006","90","","90","","90","","1320.12","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoKα","","0.0378","0.0337","","","0.0894","0.0931","","","","","","1.048","","","","has coordinates","234369","2020-10-21","18:00:00",""
"4036194","7.5978","0.0002","8.3479","0.0002","12.4229","0.0003","90","","97.7471","0.0012","90","","780.74","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C32 H36 N4 O10 -","2","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoKα","","0.0466","0.0402","","","0.0974","0.1029","","","","","","1.063","","","","has coordinates","234371","2020-10-21","18:00:00",""
"4036195","30.816","0.012","5.424","0.002","14.333","0.005","90","","105.807","0.006","90","","2305.1","1.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N3 S -","- C13 H11 N3 S -","- C104 H88 N24 S8 -","8","1","","Sharma, Poonam; Rohilla, Sandeep; Jain, Nidhi","Copper acetate-DMSO promoted methylthiolation of arenes and heteroarenes.","The Journal of organic chemistry","2015","80","8","4116","4122","10.1021/acs.joc.5b00443","","","0.71073","MoKα","","0.0579","0.0518","","","0.1163","0.1198","","","","","","1.149","","","","has coordinates","234373","2020-10-21","18:00:00",""
"4036196","16.3367","0.001","13.1395","0.0009","10.2258","0.0006","90","","90.818","0.002","90","","2194.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N5 O3 -","- C22 H31 N5 O3 -","- C88 H124 N20 O12 -","4","1","","Salvador, Carlos Eduardo M.; Pieber, Bartholomäus; Neu, Philipp M.; Torvisco, Ana; Kleber Z Andrade, Carlos; Kappe, C. Oliver","A sequential Ugi multicomponent/Cu-catalyzed azide-alkyne cycloaddition approach for the continuous flow generation of cyclic peptoids.","The Journal of organic chemistry","2015","80","9","4590","4602","10.1021/acs.joc.5b00445","","","0.71073","MoKα","","0.0595","0.0455","","","0.1155","0.1239","","","","","","1.029","","","","has coordinates","234375","2020-10-21","18:00:00",""
"4036197","9.57757","0.00016","11.68339","0.00018","12.569","0.0002","90","","90","","90","","1406.45","0.04","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Struble, Mark D.; Holl, Maxwell Gargiulo; Coombs, Gavin; Siegler, Maxime A.; Lectka, Thomas","Synthesis of a Tight Intramolecular OH···Olefin Interaction, Probed by IR, (1)H NMR, and Quantum Chemistry.","The Journal of organic chemistry","2015","80","9","4803","4807","10.1021/acs.joc.5b00470","","","1.54178","CuKα","","0.0282","0.0276","","","0.0697","0.0702","","","","","","1.074","","","","has coordinates","234376","2020-10-21","18:00:00",""
"4036198","7.7983","0.0006","8.4361","0.0008","10.6779","0.0009","97.918","0.007","106.53","0.007","90.609","0.007","666.1","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Liu, Jianzhong; Xie, Ying; Zeng, Wei; Lin, Dongen; Deng, Yuanfu; Lu, Xiaoxia","Pd(II)-Catalyzed Pyridine N-Oxides Directed Arylation of Unactivated Csp(3)-H Bonds.","The Journal of organic chemistry","2015","80","9","4618","4626","10.1021/acs.joc.5b00489","","","1.54178","CuKα","","0.0398","0.0334","","","0.0856","0.0932","","","","","","1.015","","","","has coordinates","234378","2020-10-21","18:00:00",""
"4036199","27.882","0.003","7.9855","0.0009","17.2024","0.0019","90","","123.328","0.002","90","","3200.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","1","","Shang, Xue Song; Li, Nian Tai; Siyang, Hai Xiao; Liu, Pei Nian","Palladium-Catalyzed Tandem Carbene Migratory Insertion and Intramolecular Cyclization: Synthesis of Chromeno[4,3-b]chromene Compounds.","The Journal of organic chemistry","2015","80","9","4808","4815","10.1021/acs.joc.5b00500","","","0.71073","MoKα","","0.0614","0.0499","","","0.1381","0.1481","","","","","","1.019","","","","has coordinates","234380","2020-10-21","18:00:00",""
"4036200","11.7263","0.001","8.0477","0.0007","16.6817","0.0015","90","","102.51","0.001","90","","1536.9","0.2","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 N2 O S -","- C15 H15 F3 N2 O S -","- C60 H60 F12 N8 O4 S4 -","4","1","","Xiong, Heng-Ying; Besset, Tatiana; Cahard, Dominique; Pannecoucke, Xavier","Palladium(II)-catalyzed directed trifluoromethylthiolation of unactivated C(sp³)-H bonds.","The Journal of organic chemistry","2015","80","8","4204","4212","10.1021/acs.joc.5b00505","","x-ray","0.71073","MoKα","","0.05","0.043","","","0.1238","0.1302","","","","","","1.037","","","","has coordinates","234383","2020-10-21","18:00:00",""
"4036201","13.5783","0.0019","12.2811","0.0017","13.771","0.002","90","","112.448","0.002","90","","2122.4","0.5","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl2 F3 N2 O S -","- C21 H17 Cl2 F3 N2 O S -","- C84 H68 Cl8 F12 N8 O4 S4 -","4","1","","Xiong, Heng-Ying; Besset, Tatiana; Cahard, Dominique; Pannecoucke, Xavier","Palladium(II)-catalyzed directed trifluoromethylthiolation of unactivated C(sp³)-H bonds.","The Journal of organic chemistry","2015","80","8","4204","4212","10.1021/acs.joc.5b00505","","x-ray","0.71073","MoKα","","0.0623","0.0476","","","0.1239","0.1368","","","","","","1.04","","","","has coordinates","234385","2020-10-21","18:00:00",""
"4036202","11.5931","0.0002","10.9324","0.0002","18.2371","0.0013","90","","92.902","0.007","90","","2308.41","0.18","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N3 O -","- C28 H27 N3 O -","- C112 H108 N12 O4 -","4","1","","Grosse, Sandrine; Pillard, Christelle; Massip, Stéphane; Marchivie, Mathieu; Jarry, Christian; Bernard, Philippe; Guillaumet, Gérald","Ligandless Palladium-Catalyzed Regioselective Direct C-H Arylation of Imidazo[1,2-a]imidazole Derivatives.","The Journal of organic chemistry","2015","80","17","8539","8551","10.1021/acs.joc.5b00534","","","1.54178","CuKα","","0.1","0.079","","","0.1781","0.1897","","","","","","1.012","","","","has coordinates,has disorder","234387","2020-10-21","18:00:00",""
"4036203","11.28023","0.00018","6.62379","0.00009","13.9299","0.0002","90","","100.736","0.0015","90","","1022.59","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 B O P -","- C21 H34 B O P -","- C42 H68 B2 O2 P2 -","2","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0301","0.0295","","","0.0789","0.0795","","","","","","1.059","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036204","6.57388","0.00009","24.3738","0.0003","10.48088","0.00015","90","","96.6403","0.0013","90","","1668.09","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H30 B O2 P -","- C15 H30 B O2 P -","- C60 H120 B4 O8 P4 -","4","2","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0351","0.0346","","","0.092","0.0926","","","","","","1.067","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036205","10.51018","0.00011","11.46665","0.00011","12.93223","0.00012","90","","90","","90","","1558.55","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 O3 P -","- C15 H27 O3 P -","- C60 H108 O12 P4 -","4","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0314","0.0309","","","0.0858","0.0864","","","","","","1.052","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036206","6.5151","0.0001","10.6435","0.0002","11.8462","0.0003","90","","104.009","0.001","90","","797.02","0.03","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H23 O3 P -","- C17 H23 O3 P -","- C34 H46 O6 P2 -","2","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","0.71073","MoKα","","0.0559","0.0377","","","0.0816","0.0899","","","","","","1.059","","","","has coordinates","234390","2020-10-21","18:00:00",""
"4036207","6.6376","0.0002","9.3332","0.0003","29.571","0.001","90","","90","","90","","1831.92","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 O4 P -","- C19 H25 O4 P -","- C76 H100 O16 P4 -","4","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","0.71073","MoKα","","0.1735","0.0531","","","0.1055","0.1326","","","","","","0.886","","","","has coordinates,has disorder","234390","2020-10-21","18:00:00",""
"4036208","27.352","0.004","28.721","0.006","8.0562","0.001","90","","90","","90","","6328.8","1.8","150","2","150","2","","","","","","","","2","I b a 2","I 2 -2c","45","tribenzodecacyclene","Benzo[1,2-a:3,4-a':5,6-a""]triaceanthrylene","","- C48 H24 -","- C48 H24 -","- C384 H192 -","8","1","","Geng, Xin; Mague, Joel T.; Pascal, Jr, Robert A","Tribenzodecacyclene and hexabenzodecacyclene.","The Journal of organic chemistry","2015","80","9","4824","4827","10.1021/acs.joc.5b00551","","","0.71073","MoKα","","0.064","0.0507","","","0.1235","0.1356","","","","","","1.032","","","","has coordinates","234392","2020-10-21","18:00:00",""
"4036209","5.837","0.0012","14.149","0.003","17.65","0.004","90","","90","","90","","1457.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Yang, Chao; Zhang, Xiang; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhI(OCOCF3)2-Mediated Cyclization of o-(1-Alkynyl)benzamides: Metal-Free Synthesis of 3-Hydroxy-2,3-dihydroisoquinoline-1,4-dione.","The Journal of organic chemistry","2015","80","10","5320","5328","10.1021/acs.joc.5b00576","","","0.71073","MoKα","","0.0539","0.0423","","","0.089","0.0946","","","","","","1.062","","","","has coordinates","234393","2020-10-21","18:00:00",""
"4036210","5.183","0.0001","12.7946","0.0002","26.0924","0.0003","90","","90","","90","","1730.3","0.05","150","","150","","","","","","","","Research School of Chemistry","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Zhang, Yiwen; Dlugosch, Michael; Jübermann, Martin; Banwell, Martin G.; Ward, Jas S.","Total syntheses of the resorcylic acid lactone neocosmosin A and its enantiomer.","The Journal of organic chemistry","2015","80","9","4828","4833","10.1021/acs.joc.5b00590","","","1.54184","CuKα","","0.0351","0.0332","","0.0867","0.0852","0.0867","","","","","","1.004","","","","has coordinates","234395","2020-10-21","18:00:00",""
"4036211","6.098","0.004","7.378","0.005","9.239","0.005","106.18","0.02","100.896","0.019","96.42","0.02","386","0.4","200","2","200","2","","","","","","","","3","P 1","P 1","1","acetal, structure 15","(3aS,3bR,7aS,8aR)-7a-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydro -3bH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-3b-ol","","- C14 H22 O8 -","- C14 H22 O8 -","- C14 H22 O8 -","1","1","","Blade, Helen; Bradley, Derek; Diorazio, Louis; Evans, Timothy; Hayter, Barry R.; Howell, Gareth P.","Modular Synthesis of Constrained Ethyl (cEt) Purine and Pyrimidine Nucleosides.","The Journal of organic chemistry","2015","80","10","5337","5343","10.1021/acs.joc.5b00607","","","0.71073","","","0.0848","0.0607","","","0.1485","0.1668","","","","","","0.971","","","","has coordinates","234396","2020-10-21","18:00:00",""
"4036212","10.6029","0.0015","8.4121","0.0011","13.0245","0.0017","90","","109.451","0.005","90","","1095.4","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","epoxide; Structure 10","(3aR,5S,6S,6aR)-6-benzyloxy-5- (benzyloxymethyl)-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-6,6a-dihydro-3aH-furo[2,3 -d][1,3]dioxole","","- C24 H28 O6 -","- C24 H28 O6 -","- C48 H56 O12 -","2","1","","Blade, Helen; Bradley, Derek; Diorazio, Louis; Evans, Timothy; Hayter, Barry R.; Howell, Gareth P.","Modular Synthesis of Constrained Ethyl (cEt) Purine and Pyrimidine Nucleosides.","The Journal of organic chemistry","2015","80","10","5337","5343","10.1021/acs.joc.5b00607","","","0.71073","","","0.0516","0.0379","","","0.1003","0.1165","","","","","","1.125","","","","has coordinates","234398","2020-10-21","18:00:00",""
"4036213","9.555","0.008","17.226","0.011","18.84","0.014","90","","98.07","0.013","90","","3070","4","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13.5 H11 B Cl F2 N5 O2 -","- C13.5 H11 B Cl F2 N5 O2 -","- C108 H88 B8 Cl8 F16 N40 O16 -","8","2","","Barbon, Stephanie M.; Staroverov, Viktor N.; Gilroy, Joe B.","Effect of Extended π Conjugation on the Spectroscopic and Electrochemical Properties of Boron Difluoride Formazanate Complexes.","The Journal of organic chemistry","2015","80","10","5226","5235","10.1021/acs.joc.5b00620","","","0.71073","MoKα","","0.0811","0.0588","","","0.173","0.1901","","","","","","1.025","","","","has coordinates","234399","2020-10-21","18:00:00",""
"4036214","10.845","0.003","11.246","0.002","15.472","0.003","90","","107.92","0.02","90","","1795.5","0.7","198","2","198","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C92 H100 N4 O8 -","4","1","","Schuster, Christian; Julich-Gruner, Konstanze K; Schnitzler, Heinrich; Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Total syntheses of murrayamine E, I, and K.","The Journal of organic chemistry","2015","80","11","5666","5673","10.1021/acs.joc.5b00630","","x-ray","0.71073","MoKα","","0.0913","0.049","","","0.101","0.1227","","","","","","1.07","","","","has coordinates","234401","2020-10-21","18:00:00",""
"4036215","10.0827","0.0005","15.8074","0.0008","19.5993","0.001","101.459","0.001","93.232","0.001","105.545","0.001","2929.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H26 F4 -","- C40 H26 F4 -","- C160 H104 F16 -","4","2","","Roche, Alex J.; Abboud, Khalil A.; Dolbier, Jr, William R","The Unexpected Formation of 9,9,10,10-Tetrafluoro-1,2,4,12-tetraphenyl[2.2]paracyclophan-1-ene.","The Journal of organic chemistry","2015","80","10","5355","5358","10.1021/acs.joc.5b00657","","","0.71073","MoKα","","0.0742","0.0407","","","0.0965","0.1054","","","","","","0.9","","","","has coordinates","234403","2020-10-21","18:00:00",""
"4036216","32.791","0.002","32.791","0.002","7.4776","0.0003","90","","90","","120","","6963.1","0.7","203","2","203","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C288 H360 O72 -","18","1","","Vaccarello, David N.; Moschitto, Matthew J.; Lewis, Chad A.","Regiodivergent addition of phenols to allylic oxides.","The Journal of organic chemistry","2015","80","10","5252","5259","10.1021/acs.joc.5b00671","","","0.71073","MoKα","","0.0974","0.0422","","","0.0865","0.1064","","","","","","0.985","","","","has coordinates","234404","2020-10-21","18:00:00",""
"4036217","8.169","0.0004","8.3603","0.0004","18.233","0.0009","90","","90","","90","","1245.23","0.11","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Vaccarello, David N.; Moschitto, Matthew J.; Lewis, Chad A.","Regiodivergent addition of phenols to allylic oxides.","The Journal of organic chemistry","2015","80","10","5252","5259","10.1021/acs.joc.5b00671","","","0.71073","MoKα","","0.04","0.0323","","","0.081","0.0866","","","","","","1.032","","","","has coordinates","234406","2020-10-21","18:00:00",""
"4036218","8.221","0.004","9.119","0.004","14.037","0.006","101.304","0.004","97.129","0.005","108.535","0.005","958.5","0.8","293","2","293","2","","","","","","","see text","3","P -1","-P 1","2","","","","- C22 H22 N4 -","- C22 H22 N4 -","- C44 H44 N8 -","2","1","","Batchu, Harikrishna; Bhattacharyya, Soumya; Kant, Ruchir; Batra, Sanjay","Palladium-Catalyzed Chelation-Assisted Regioselective Oxidative Dehydrogenative Homocoupling/Ortho-Hydroxylation in N-Phenylpyrazoles.","The Journal of organic chemistry","2015","80","15","7360","7374","10.1021/acs.joc.5b00733","","","0.71075","MoKα","","0.087","0.0593","","","0.1729","0.1891","","","","","","0.952","","","","has coordinates","234407","2020-10-21","18:00:00",""
"4036219","16.391","0.003","16.391","0.003","11.774","0.002","90","","90","","90","","3163.3","1","293","2","293","2","","","","","","","see text","5","P -4 21 c","P -4 2n","114","","","","- C18 H15 F N2 O3 -","- C18 H15 F N2 O3 -","- C144 H120 F8 N16 O24 -","8","1","","Batchu, Harikrishna; Bhattacharyya, Soumya; Kant, Ruchir; Batra, Sanjay","Palladium-Catalyzed Chelation-Assisted Regioselective Oxidative Dehydrogenative Homocoupling/Ortho-Hydroxylation in N-Phenylpyrazoles.","The Journal of organic chemistry","2015","80","15","7360","7374","10.1021/acs.joc.5b00733","","","0.71075","MoKα","","0.0393","0.0353","","","0.0816","0.0851","","","","","","1.113","","","","has coordinates","234407","2020-10-21","18:00:00",""
"4036220","17.736","0.008","11.698","0.005","18.495","0.008","90","","93.596","0.007","90","","3830","3","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 Cl2 N4 O7 -","- C39 H40 Cl2 N4 O7 -","- C156 H160 Cl8 N16 O28 -","4","1","","Batchu, Harikrishna; Bhattacharyya, Soumya; Kant, Ruchir; Batra, Sanjay","Palladium-Catalyzed Chelation-Assisted Regioselective Oxidative Dehydrogenative Homocoupling/Ortho-Hydroxylation in N-Phenylpyrazoles.","The Journal of organic chemistry","2015","80","15","7360","7374","10.1021/acs.joc.5b00733","","","0.71075","MoKα","","0.1163","0.1008","","","0.2417","0.2536","","","","","","1.164","","","","has coordinates","234407","2020-10-21","18:00:00",""
"4036221","9.639","0.0014","11.5016","0.0015","11.5355","0.0017","62.617","0.008","79.921","0.011","66.237","0.009","1039.2","0.3","293","2","293","2","","","","","","","see text","7","P -1","-P 1","2","","","","- C23 H19 Cl F N O2 S -","- C23 H19 Cl F N O2 S -","- C46 H38 Cl2 F2 N2 O4 S2 -","2","1","","Ravi, Makthala; Chauhan, Parul; Kant, Ruchir; Shukla, Sanjeev K.; Yadav, Prem P.","Transition-Metal-Free C-3 Arylation of Quinoline-4-ones with Arylhydrazines.","The Journal of organic chemistry","2015","80","10","5369","5376","10.1021/acs.joc.5b00739","","","0.71075","MoKα","","0.0512","0.0421","","","0.1223","0.1279","","","","","","1.058","","","","has coordinates","234409","2020-10-21","18:00:00",""
"4036222","17.061","0.0005","17.2598","0.0007","23.1595","0.0006","90","","95.062","0.001","90","","6793.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C138 H168 F6 O44 P4 S2 Y2 -","- C114 H112 F6 O44 P4 S2 Y2 -","- C228 H224 F12 O88 P8 S4 Y4 -","2","1","","Deng, Yongming; Karunaratne, Chamini V.; Csatary, Erika; Tierney, David L.; Wheeler, Kraig; Wang, Hong","Chiral Bimetallic Catalysts Derived from Chiral Metal Phosphates: Enantioselective Three-Component Asymmetric Aza-Diels-Alder Reactions of Cyclic Ketones.","The Journal of organic chemistry","2015","80","16","7984","7993","10.1021/acs.joc.5b00895","","","1.54178","CuKα","","0.1205","0.1152","","","0.3054","0.3176","","","","","","1.484","","","","has coordinates,has disorder","234411","2020-10-21","18:00:00",""
"4036223","11.3709","0.0003","13.2507","0.0003","17.985","0.0004","90","","94.6808","0.0012","90","","2700.8","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 Cl2 F N3 O5 -","- C29 H21 Cl2 F N3 O5 -","- C116 H84 Cl8 F4 N12 O20 -","4","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0638","0.0465","","","0.1113","0.1253","","","","","","1.007","","","","has coordinates,has disorder","234413","2020-10-21","18:00:00",""
"4036224","8.2969","0.0016","10.088","0.002","15.55","0.003","107.405","0.005","90.731","0.005","93.016","0.005","1239.7","0.4","296","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Br N4 O4 -","- C22 H15 Br N4 O4 -","- C44 H30 Br2 N8 O8 -","2","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0767","0.0521","","","0.1292","0.1366","","","","","","1.073","","","","has coordinates","234413","2020-10-21","18:00:00",""
"4036225","13.0814","0.0004","14.4208","0.0005","14.7793","0.0005","70.052","0.002","80.005","0.002","72.616","0.002","2493.06","0.15","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N4 O4 S -","- C28 H18 N4 O4 S -","- C112 H72 N16 O16 S4 -","4","2","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.057","0.0443","","","0.1136","0.1197","","","","","","1.082","","","","has coordinates,has disorder","234413","2020-10-21","18:00:00",""
"4036226","24.07","0.0012","24.07","0.0012","23.369","0.0011","90","","90","","120","","11725.3","1","100","2","100.01","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H23 Br N4 O2 -","- C31 H23 Br N4 O2 -","- C558 H414 Br18 N72 O36 -","18","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0634","0.0464","","","0.1251","0.1313","","","","","","1.057","","","","has coordinates","234413","2020-10-21","18:00:00",""
"4036227","12.8254","0.0003","12.7608","0.0003","18.3146","0.0005","90","","102.422","0.001","90","","2927.24","0.13","100","2","100.06","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 Br N5 O2 -","- C31 H19 Br N5 O2 -","- C124 H76 Br4 N20 O8 -","4","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0577","0.0395","","","0.1031","0.1095","","","","","","1.096","","","","has coordinates","234413","2020-10-21","18:00:00",""
"4036228","10.3326","0.0007","19.2076","0.0009","11.4445","0.0007","90","","105.976","0.006","90","","2183.6","0.2","223","0.1","223","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O3 S -","- C26 H21 N O3 S -","- C104 H84 N4 O12 S4 -","4","1","","Cai, Zhong-Jian; Yang, Chao; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Regioselective C-H Acylation of Biaryl-2-amines.","The Journal of organic chemistry","2015","80","16","7928","7936","10.1021/acs.joc.5b00962","","","0.71073","MoKα","","0.0704","0.0488","","","0.1405","0.1596","","","","","","1.018","","","","has coordinates","234416","2020-10-21","18:00:00",""
"4036229","12.3918","0.0004","12.0736","0.0004","34.0914","0.0011","90","","94.29","0.001","90","","5086.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H60 O13 -","- C51 H60 O13 -","- C204 H240 O52 -","4","1","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1581","0.0713","","","0.2031","0.2326","","","","","","0.912","","","","has coordinates","234418","2020-10-21","18:00:00",""
"4036230","12.6946","0.0008","30.8143","0.0019","18.2906","0.0011","90","","93.275","0.002","90","","7143.1","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H134 F12 N2 O26 P2 -","- C114 H134 F12 N2 O26 P2 -","- C228 H268 F24 N4 O52 P4 -","2","0.5","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1489","0.0998","","","0.2943","0.3235","","","","","","1.078","","","","has coordinates","234419","2020-10-21","18:00:00",""
"4036231","16.259","0.002","17.706","0.003","37.855","0.006","90","","96.191","0.002","90","","10834","3","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H70 N2 O14 -","- C57 H68 N2 O14 -","- C456 H544 N16 O112 -","8","1","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1684","0.0982","","","0.3084","0.3512","","","","","","1.071","","","","has coordinates,has disorder","234421","2020-10-21","18:00:00",""
"4036232","10.8366","0.0004","13.7308","0.0005","19.8398","0.0008","98.192","0.001","94.995","0.001","98.211","0.001","2874.55","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H60 Cl3 N2 O13 -","- C58 H60 Cl3 N2 O13 -","- C116 H120 Cl6 N4 O26 -","2","1","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1382","0.0949","","","0.2609","0.306","","","","","","1.037","","","","has coordinates","234424","2020-10-21","18:00:00",""
"4036233","9.1591","0.0006","10.9078","0.0006","13.7682","0.0009","86.365","0.005","73.505","0.005","73.351","0.005","1263.38","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 B F2 N3 -","- C32 H20 B F2 N3 -","- C64 H40 B2 F4 N6 -","2","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso Alkynylated Tetraphenylethylene (TPE) and 2,3,3-Triphenylacrylonitrile (TPAN) Substituted BODIPYs.","The Journal of organic chemistry","2015","80","16","8018","8025","10.1021/acs.joc.5b01117","","","0.71073","MoKα","","0.0715","0.0462","","","0.1063","0.1235","","","","","","1.033","","","","has coordinates","234425","2020-10-21","18:00:00",""
"4036234","8.4067","0.0006","12.6497","0.0006","13.5043","0.0006","82.872","0.004","83.376","0.005","88.352","0.005","1415.31","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 B F2 N2 -","- C37 H25 B F2 N2 -","- C74 H50 B2 F4 N4 -","2","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso Alkynylated Tetraphenylethylene (TPE) and 2,3,3-Triphenylacrylonitrile (TPAN) Substituted BODIPYs.","The Journal of organic chemistry","2015","80","16","8018","8025","10.1021/acs.joc.5b01117","","","0.71073","MoKα","","0.07","0.0472","","","0.1088","0.1266","","","","","","1.054","","","","has coordinates","234425","2020-10-21","18:00:00",""
"4036235","14.4318","0.0004","14.4318","0.0004","5.3189","0.0002","90","","90","","90","","1107.8","0.06","90","0.5","90","0.5","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C9 H4 B Cl3 F2 N2 -","- C9 H4 B Cl3 F2 N2 -","- C36 H16 B4 Cl12 F8 N8 -","4","0.25","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0323","0.0285","","","0.0741","0.0763","","","","","","1.13","","","","has coordinates","234427","2020-10-21","18:00:00",""
"4036236","9.0674","0.0016","11.2143","0.0017","12.8518","0.0019","93.75","0.004","93.445","0.004","91.71","0.004","1300.9","0.4","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C32 H19 B Cl2 F2 N2 O -","- C32 H19 B Cl2 F2 N2 O -","- C64 H38 B2 Cl4 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.063","0.0427","","","0.1003","0.1101","","","","","","1.024","","","","has coordinates","234428","2020-10-21","18:00:00",""
"4036237","7.6639","0.0002","13.5236","0.0003","9.0732","0.0002","90","","101.227","0.001","90","","922.38","0.04","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 B Cl F2 N2 -","- C9 H6 B Cl F2 N2 -","- C36 H24 B4 Cl4 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0426","0.0318","","","0.084","0.0893","","","","","","1.064","","","","has coordinates","234430","2020-10-21","18:00:00",""
"4036238","7.677","0.003","10.992","0.004","11.053","0.001","74.562","0.011","76.37","0.02","84.892","0.015","873.4","0.5","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C16 H9 B Cl4 F2 N2 O -","- C16 H9 B Cl4 F2 N2 O -","- C32 H18 B2 Cl8 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.1468","0.0685","","","0.1163","0.1445","","","","","","1.07","","","","has coordinates","234431","2020-10-21","18:00:00",""
"4036239","13.191","0.002","17.593","0.003","22.536","0.005","90","","94.028","0.012","90","","5217","1.7","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 B Cl2 F2 N2 O3 -","- C30 H23 B Cl2 F2 N2 O3 -","- C240 H184 B8 Cl16 F16 N16 O24 -","8","2","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.1148","0.0522","","","0.1104","0.1331","","","","","","0.993","","","","has coordinates","234433","2020-10-21","18:00:00",""
"4036240","7.6289","0.0006","8.1807","0.0007","11.2033","0.0009","68.596","0.002","86.853","0.002","63.378","0.002","576.98","0.08","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C9 H3 B Cl4 F2 N2 -","- C9 H3 B Cl4 F2 N2 -","- C18 H6 B2 Cl8 F4 N4 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0584","0.0454","","","0.1212","0.1306","","","","","","1.055","","","","has coordinates","234434","2020-10-21","18:00:00",""
"4036241","9.4931","0.0004","9.6953","0.0004","13.8865","0.0006","100.657","0.003","94.187","0.002","94.041","0.002","1248.09","0.09","160","0.5","160","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C9 H2 B Cl5 F2 N2 -","- C9 H2 B Cl5 F2 N2 -","- C36 H8 B4 Cl20 F8 N8 -","4","2","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0631","0.0351","","","0.0686","0.0764","","","","","","1.018","","","","has coordinates","234436","2020-10-21","18:00:00",""
"4036242","9.8021","0.0004","10.0817","0.0004","10.865","0.0004","95.24","0.002","112.368","0.002","118.931","0.002","817.14","0.06","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C15 H7 B Cl4 F2 N2 O -","- C15 H7 B Cl4 F2 N2 O -","- C30 H14 B2 Cl8 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0408","0.0317","","","0.081","0.0863","","","","","","1.034","","","","has coordinates","234437","2020-10-21","18:00:00",""
"4036243","24.743","0.002","16.398","0.002","18.7139","0.0019","90","","109.248","0.008","90","","7168.5","1.3","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H37 B F2 N2 O5 -","- C44 H37 B F2 N2 O5 -","- C352 H296 B8 F16 N16 O40 -","8","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","1.54184","CuKα","","0.0614","0.0416","","","0.1094","0.1237","","","","","","1.023","","","","has coordinates","234439","2020-10-21","18:00:00",""
"4036244","17.4371","0.0008","10.7905","0.0008","7.9425","0.0004","90","","95.817","0.004","90","","1486.73","0.15","90","0.5","90","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H5 B Cl4 F2 N2 S -","- C13 H5 B Cl4 F2 N2 S -","- C52 H20 B4 Cl16 F8 N8 S4 -","4","0.5","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0309","0.0259","","","0.0708","0.0739","","","","","","1.08","","","","has coordinates,has disorder","234441","2020-10-21","18:00:00",""
"4036245","10.411","0.003","15.479","0.004","28.81","0.008","78.515","0.01","89.442","0.01","89.434","0.009","4549","2","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C24.5 H15 B Cl2 F2 N2 S3 -","- C24.5 H15 B Cl2 F2 N2 S3 -","- C196 H120 B8 Cl16 F16 N16 S24 -","8","4","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.1696","0.0879","","","0.1977","0.2447","","","","","","1.017","","","","has coordinates,has disorder","234443","2020-10-21","18:00:00",""
"4036246","20.337","0.002","10.788","0.001","13.697","0.002","90","","120.434","0.01","90","","2591","0.6","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H17 B F2 N2 S5 -","- C29 H17 B F2 N2 S5 -","- C116 H68 B4 F8 N8 S20 -","4","0.5","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0548","0.0407","","","0.1027","0.1117","","","","","","1.037","","","","has coordinates,has disorder","234445","2020-10-21","18:00:00",""
"4036247","5.5897","0.0004","16.686","0.0011","9.1104","0.0006","90","","97.632","0.003","90","","842.2","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O8 -","- C16 H22 O8 -","- C32 H44 O16 -","2","1","","Häcker, Christine; Plietker, Bernd","General Stereodivergent Enantioselective Total Synthetic Approach toward Macrosphelides A-G and M.","The Journal of organic chemistry","2015","80","16","8055","8064","10.1021/acs.joc.5b01171","","","1.54178","CuKα","","0.0237","0.0224","","","0.0559","0.0565","","","","","","1.047","","","","has coordinates","234447","2020-10-21","18:00:00",""
"4036248","5.8884","0.0007","14.8186","0.0016","19.816","0.002","90","","90","","90","","1729.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22.25 O7.13 -","- C16 H22.26 O7.13 -","- C64 H89.04 O28.52 -","4","1","","Häcker, Christine; Plietker, Bernd","General Stereodivergent Enantioselective Total Synthetic Approach toward Macrosphelides A-G and M.","The Journal of organic chemistry","2015","80","16","8055","8064","10.1021/acs.joc.5b01171","","","1.54178","CuKα","","0.0414","0.0307","","","0.0644","0.0675","","","","","","1.019","","","","has coordinates","234448","2020-10-21","18:00:00",""
"4036249","6.7849","0.0004","8.4596","0.0005","13.1987","0.0008","104.958","0.002","99.8443","0.0019","92.014","0.002","718.62","0.07","104","2","104","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C32 H40 O8 S2 -","2","1","","Lu, Ping; Herrmann, Aaron T.; Zakarian, Armen","Toward the Synthesis of Nuphar Sesquiterpene Thioalkaloids: Stereodivergent Rhodium-Catalyzed Synthesis of the Thiolane Subunit.","The Journal of organic chemistry","2015","80","15","7581","7589","10.1021/acs.joc.5b01177","","","0.71073","MoKα","","0.0388","0.0328","","","0.0828","0.0867","","","","","","0.926","","","","has coordinates","234449","2020-10-21","18:00:00",""
"4036250","8.9865","0.0004","19.5582","0.0008","11.7897","0.0004","90","","91.441","0.004","90","","2071.5","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N2 O4 -","- C18 H30 N2 O4 -","- C72 H120 N8 O16 -","4","1","","Le Jeune, Karel; Chevallier-Michaud, Sabine; Gatineau, David; Giordano, Laurent; Tenaglia, Alphonse; Clavier, Hervé","Preparation of Vinylcyclopropanes by Sodium Mediated Reductive Isomerization of Methylenecyclopropanes.","The Journal of organic chemistry","2015","80","17","8821","8829","10.1021/acs.joc.5b01205","","x-ray","1.54184","CuKα","","0.0938","0.0885","","","0.2391","0.2509","","","","","","1.147","","","","has coordinates","234451","2020-10-21","18:00:00",""
"4036251","14.439","0.006","16.616","0.006","15.497","0.006","90","","97.859","0.009","90","","3683","2","90","","90","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C42.85 H41.7 N6 O5 -","- C42.85 H41.7 N6 O5 -","- C171.4 H166.8 N24 O20 -","4","1","","White, Nicholas G.; MacLachlan, Mark J.","Soluble Tetraaminotriptycene Precursors.","The Journal of organic chemistry","2015","80","16","8390","8397","10.1021/acs.joc.5b01221","","","0.71073","MoKα","","0.1001","0.0683","","0.1917","0.1689","0.1917","","","","","","0.9585","","","","has coordinates,has disorder","234453","2020-10-21","18:00:00",""
"4036252","8.1336","0.0008","16.8844","0.0017","25.54","0.003","90","","90","","90","","3507.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C168 H168 N8 O24 -","8","1","","Sha, Feng; Tao, Yuan; Tang, Chen-Yu; Zhang, Fei; Wu, Xin-Yan","Construction of Benzo[c]carbazoles and Their Antitumor Derivatives through the Diels-Alder Reaction of 2-Alkenylindoles and Arynes.","The Journal of organic chemistry","2015","80","16","8122","8133","10.1021/acs.joc.5b01223","","","0.71073","MoKα","","0.0668","0.0506","","","0.1264","0.1408","","","","","","1.021","","","","has coordinates","234455","2020-10-21","18:00:00",""
"4036253","10.7088","0.0006","44.986","0.002","11.2096","0.0006","90","","91.109","0.003","90","","5399.2","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110 H114 N9 O39 -","- C110 H114 N9 O39 -","- C220 H228 N18 O78 -","2","1","","Shao, Chang-Lun; Linington, Roger G.; Balunas, Marcy J.; Centeno, Argelis; Boudreau, Paul; Zhang, Chen; Engene, Niclas; Spadafora, Carmenza; Mutka, Tina S.; Kyle, Dennis E.; Gerwick, Lena; Wang, Chang-Yun; Gerwick, William H.","Bastimolide A, a Potent Antimalarial Polyhydroxy Macrolide from the Marine Cyanobacterium Okeania hirsuta.","The Journal of organic chemistry","2015","80","16","7849","7855","10.1021/acs.joc.5b01264","","","1.54178","CuKα","","0.1143","0.1129","","","0.2987","0.2996","","","","","","1.089","","","","has coordinates","234458","2020-10-21","18:00:00",""
"4036254","5.8748","0.0007","6.6516","0.0008","7.3831","0.0009","67.621","0.002","84.526","0.002","66.767","0.002","244.64","0.05","293","1","293","1","","","","","","","","3","P 1","P 1","1","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C11 H14 O3 -","1","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0386","0.0386","","","0.0941","0.0941","","","","","","1.115","","","","has coordinates","234460","2020-10-21","18:00:00",""
"4036255","8.064","0.001","8.364","0.001","18.272","0.003","90","","90","","90","","1232.4","0.3","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 I O2 -","- C12 H17 I O2 -","- C48 H68 I4 O8 -","4","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0302","0.0299","","","0.0653","0.0654","","","","","","1.261","","","","has coordinates","234462","2020-10-21","18:00:00",""
"4036256","6.706","0.001","7.429","0.001","11.243","0.002","95.326","0.002","93.482","0.002","92.823","0.002","555.82","0.15","293","1","293","1","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C26 H36 O4 -","2","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0851","0.081","","","0.1663","0.1686","","","","","","1.315","","","","has coordinates","234464","2020-10-21","18:00:00",""
"4036257","12.494","0.002","6.409","0.001","14.998","0.003","90","","109.238","0.004","90","","1133.9","0.3","293","1","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.1961","0.1553","","","0.2902","0.3103","","","","","","1.327","","","","has coordinates","234466","2020-10-21","18:00:00",""
"4036258","9.5484","0.0007","10.4166","0.0007","14.268","0.001","90","","97.373","0.001","90","","1407.39","0.17","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 I O2 -","- C13 H19 I O2 -","- C52 H76 I4 O8 -","4","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0558","0.0529","","","0.1031","0.1045","","","","","","1.213","","","","has coordinates","234467","2020-10-21","18:00:00",""
"4036259","16.1326","0.0013","19.4409","0.0015","26.943","0.002","90","","90","","90","","8450.2","1.1","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46.5 H37 Cl2 N3 Ni O4.5 -","- C46.5 H37 Cl2 N3 Ni O4.5 -","- C372 H296 Cl16 N24 Ni8 O36 -","8","2","","Wang, Shuni; Zhou, Shengbin; Wang, Jiang; Nian, Yong; Kawashima, Aki; Moriwaki, Hiroki; Aceña, José L; Soloshonok, Vadim A.; Liu, Hong","Chemical Dynamic Thermodynamic Resolution and S/R Interconversion of Unprotected Unnatural Tailor-made α-Amino Acids.","The Journal of organic chemistry","2015","80","20","9817","9830","10.1021/acs.joc.5b01292","","","0.71073","MoKα","","0.1511","0.0658","","","0.132","0.1524","","","","","","0.88","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4036260","10.913","0.003","19.779","0.004","10.148","0.002","90","","117.533","0.011","90","","1942.4","0.8","295","2","295","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","1","","Guo, Biao; Zheng, Liyao; Zhang, Lei; Hua, Ruimao","Synthesis of Benzofulvene Derivatives from Diarylacetylenes via Pd(II)-Catalyzed Alkyne-Directed C(sp(2))-H Bond Activation.","The Journal of organic chemistry","2015","80","16","8430","8434","10.1021/acs.joc.5b01304","","","0.71073","MoKα","","0.0863","0.0469","","","0.0825","0.098","","","","","","1.003","","","","has coordinates","234472","2020-10-21","18:00:00",""
"4036261","8.5158","0.0007","6.0532","0.0005","11.8232","0.001","90","","95.954","0.003","90","","606.17","0.09","120","2","120","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C28 H32 O8 -","2","1","","Chen, Jun; Kilpatrick, Brenden; Oliver, Allen G.; Wulff, Jeremy E.","Expansion of Thiele's Acid Chemistry in Pursuit of a Suite of Conformationally Constrained Scaffolds.","The Journal of organic chemistry","2015","80","18","8979","8989","10.1021/acs.joc.5b01332","","","1.54184","CuKα","","0.0537","0.0531","","","0.1454","0.1471","","","","","","1.118","","","","has coordinates,has disorder","234474","2020-10-21","18:00:00",""
"4036262","7.3209","0.0002","6.0935","0.0001","26.7101","0.0006","90","","92.0063","0.0007","90","","1190.8","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Chen, Jun; Kilpatrick, Brenden; Oliver, Allen G.; Wulff, Jeremy E.","Expansion of Thiele's Acid Chemistry in Pursuit of a Suite of Conformationally Constrained Scaffolds.","The Journal of organic chemistry","2015","80","18","8979","8989","10.1021/acs.joc.5b01332","","","1.54184","CuKα","","0.0363","0.0358","","","0.093","0.0936","","","","","","1.081","","","","has coordinates,has disorder","234475","2020-10-21","18:00:00",""
"4036263","6.7876","0.0002","21.2855","0.0005","13.9033","0.0004","90","","94.6","0.0014","90","","2002.24","0.1","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O8 -","- C20 H28 O8 -","- C80 H112 O32 -","4","1","","Chen, Jun; Kilpatrick, Brenden; Oliver, Allen G.; Wulff, Jeremy E.","Expansion of Thiele's Acid Chemistry in Pursuit of a Suite of Conformationally Constrained Scaffolds.","The Journal of organic chemistry","2015","80","18","8979","8989","10.1021/acs.joc.5b01332","","","1.54184","CuKα","","0.0428","0.0387","","","0.0968","0.0999","","","","","","1.026","","","","has coordinates","234476","2020-10-21","18:00:00",""
"4036264","15.633","0.004","24.88","0.006","17.612","0.005","90","","103.172","0.004","90","","6670","3","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.25 H18.25 Cl1.91 F10 N4 O0.39 -","- C35.247 H18.247 Cl1.908 F10 N4 O0.389 -","- C281.976 H145.976 Cl15.264 F80 N32 O3.112 -","8","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.1324","0.0935","","","0.2767","0.3009","","","","","","1.057","","","","has coordinates,has disorder","234478","2020-10-21","18:00:00",""
"4036265","14.108","0.003","24.897","0.005","15.092","0.003","90","","114.461","0.003","90","","4825.2","1.7","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl4 F10 N4 O6 S2 -","- C36 H24 Cl4 F10 N4 O6 S2 -","- C144 H96 Cl16 F40 N16 O24 S8 -","4","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.113","0.0961","","","0.2547","0.2699","","","","","","1.016","","","","has coordinates,has disorder","234479","2020-10-21","18:00:00",""
"4036266","7.6644","0.0011","14.923","0.0006","16.6128","0.0015","68.279","0.011","87.205","0.018","75.555","0.017","1707.4","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H12 Cl6 F10 N4 Pd -","- C34 H12 Cl6 F10 N4 Pd -","- C68 H24 Cl12 F20 N8 Pd2 -","2","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.0576","0.0553","","","0.1433","0.1452","","","","","","1.009","","","","has coordinates","234481","2020-10-21","18:00:00",""
"4036267","21.057","0.004","21.615","0.004","13.814","0.003","90","","104.023","0.005","90","","6100","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H19 F10 N4 Pd -","- C36 H19 F10 N4 Pd -","- C288 H152 F80 N32 Pd8 -","8","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.0487","0.0433","","","0.1251","0.1292","","","","","","1.007","","","","has coordinates","234483","2020-10-21","18:00:00",""
"4036268","7.5903","0.0018","14.35","0.0016","16.671","0.005","66.46","0.02","86.21","0.03","80.53","0.02","1642","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H32 Cl8 F20 N8 -","- C68 H32 Cl8 F20 N8 -","- C68 H32 Cl8 F20 N8 -","1","0.5","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.0729","0.07","","","0.2066","0.2122","","","","","","1.028","","","","has coordinates","234485","2020-10-21","18:00:00",""
"4036269","7.9798","0.0012","16.263","0.003","11.1573","0.0017","90","","101.434","0.0018","90","","1419.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl3 N O2 -","- C14 H14 Cl3 N O2 -","- C56 H56 Cl12 N4 O8 -","4","1","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.0366","0.0288","","","0.067","0.0711","","","","","","1.022","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036270","11.1805","0.001","9.3123","0.0008","16.1492","0.0014","90","","100.881","0.001","90","","1651.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C72 H96 O16 -","8","2","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.0427","0.036","","","0.0963","0.102","","","","","","1.03","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036271","14.3724","0.0017","15.465","0.0019","11.7888","0.0014","90","","90","","90","","2620.3","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C11 H12 Cl3 N O2 -","- C11 H12 Cl3 N O2 -","- C88 H96 Cl24 N8 O16 -","8","1","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.024","0.0226","","","0.0588","0.0599","","","","","","1.023","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036272","10.143","0.0017","14.482","0.003","10.4728","0.0018","90","","114.874","0.002","90","","1395.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl4 N O2 -","- C11 H11 Cl4 N O2 -","- C44 H44 Cl16 N4 O8 -","4","1","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.0282","0.026","","","0.0675","0.0688","","","","","","1.06","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036273","7.1795","0.0014","10.267","0.002","13.022","0.003","73.24","0.03","86.19","0.03","71.15","0.03","869.4","0.4","183","","183","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Br N2 O -","- C22 H15 Br N2 O -","- C44 H30 Br2 N4 O2 -","2","1","","Ding, Zong-Cang; Tang, Hai-Tao; Li, Ren-Hao; Ju, Lu-Chuan; Zhan, Zhuang-Ping","Synthesis of 4-Arylidenepyrazolones by a Gold-Catalyzed Cyclization/Arylidene Group Transfer Cascade of N-Propioloyl Hydrazones.","The Journal of organic chemistry","2015","80","18","9307","9313","10.1021/acs.joc.5b01366","","","0.71073","MoKα","","0.1359","0.0962","","","0.2231","0.2897","","","","","","1.435","","","","has coordinates","234489","2020-10-21","18:00:00",""
"4036274","14.9074","0.0006","7.1186","0.0003","26.7266","0.0011","90","","90","","90","","2836.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H9 N3 S2 -","- C16 H9 N3 S2 -","- C128 H72 N24 S16 -","8","1","","Mitra, Shubhanjan; Ghosh, Monoranjan; Mishra, Subhajit; Hajra, Alakananda","Metal-Free Thiocyanation of Imidazoheterocycles through Visible Light Photoredox Catalysis.","The Journal of organic chemistry","2015","80","16","8275","8281","10.1021/acs.joc.5b01369","","","0.71073","MoKα","","0.0827","0.0642","","","0.2326","0.25","","","","","","2.003","","","","has coordinates","234491","2020-10-21","18:00:00",""
"4036275","5.6891","0.0005","10.2427","0.0009","15.0808","0.0013","107.955","0.001","91.44","0.002","94.341","0.002","832.5","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 Cl3 N0 O3 S2 -","- C15 H11 Cl3 O3 S2 -","- C30 H22 Cl6 O6 S4 -","2","1","","Luo, Hongmei; Pan, Ling; Xu, Xianxiu; Liu, Qun","Friedel-Crafts Coupling of Electron-Deficient Benzoylacetones Tuned by Remote Electronic Effects.","The Journal of organic chemistry","2015","80","16","8282","8289","10.1021/acs.joc.5b01371","","","0.71073","MoKα","","0.0645","0.0531","","","0.1343","0.1493","","","","","","1.055","","","","has coordinates","234493","2020-10-21","18:00:00",""
"4036276","5.8738","0.0007","14.111","0.0017","21.502","0.003","90","","90","","90","","1782.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.042","0.0352","","","0.0798","0.0828","","","","","","1.001","","","","has coordinates","234495","2020-10-21","18:00:00",""
"4036277","7.9265","0.0014","10.5847","0.0019","23.895","0.004","90","","90","","90","","2004.8","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br N2 O3 -","- C21 H25 Br N2 O3 -","- C84 H100 Br4 N8 O12 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.0383","0.0331","","","0.0773","0.0794","","","","","","1.004","","","","has coordinates","234497","2020-10-21","18:00:00",""
"4036278","6.7867","0.0004","7.9287","0.0005","33.718","0.002","90","","90","","90","","1814.36","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.0446","0.0364","","","0.0826","0.086","","","","","","1.01","","","","has coordinates","234498","2020-10-21","18:00:00",""
"4036279","8.8195","0.0007","16.5259","0.0013","20.684","0.002","88.992","0.004","89.512","0.004","82.169","0.004","2986.1","0.4","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C32 H32 N3 O4.5 S3 -","- C32 H32 N2 O4.5 S3 -","- C128 H128 N8 O18 S12 -","4","4","","Morikawa, Takahiro; Harada, Shinji; Nishida, Atsushi","Chiral Holmium Complex-Catalyzed Synthesis of Hydrocarbazole from Siloxyvinylindole and Its Application to the Enantioselective Total Synthesis of (-)-Minovincine.","The Journal of organic chemistry","2015","80","17","8859","8867","10.1021/acs.joc.5b01393","","","1.54187","CuKα","","","0.1577","","","","0.4305","","","","","","1.082","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036280","8.0665","0.0005","16.2776","0.0008","32.7774","0.0016","90","","90","","90","","4303.8","0.4","296.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C176 H192 N16 O32 S16 -","8","1","","Yoshimatsu, Mitsuhiro; Tanaka, Miki; Fujimura, Yu; Ito, Yukiteru; Goto, Yusuke; Kobayashi, Yuka; Wasada, Hiroaki; Hatae, Noriyuki; Tanabe, Genzoh; Muraoka, Osamu","Synthesis of Azepines via a [6 + 1] Annulation of Ynenitriles with Reformatsky Reagents.","The Journal of organic chemistry","2015","80","19","9480","9494","10.1021/acs.joc.5b01397","","","0.71075","MoKα","","","0.068","","","","0.188","","","","","","1.108","","","","has coordinates","234502","2020-10-21","18:00:00",""
"4036281","12.9392","0.0006","8.2976","0.0006","19.8627","0.001","90","","107.489","0.0014","90","","2034","0.2","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O4 S -","- C20 H28 N2 O4 S -","- C80 H112 N8 O16 S4 -","4","1","","Yoshimatsu, Mitsuhiro; Tanaka, Miki; Fujimura, Yu; Ito, Yukiteru; Goto, Yusuke; Kobayashi, Yuka; Wasada, Hiroaki; Hatae, Noriyuki; Tanabe, Genzoh; Muraoka, Osamu","Synthesis of Azepines via a [6 + 1] Annulation of Ynenitriles with Reformatsky Reagents.","The Journal of organic chemistry","2015","80","19","9480","9494","10.1021/acs.joc.5b01397","","","0.71075","MoKα","","","0.0494","","","","0.0851","","","","","","1.389","","","","has coordinates","234503","2020-10-21","18:00:00",""
"4036282","13.0271","0.0005","13.1056","0.0004","15.6355","0.0005","79.606","0.003","68.137","0.003","67.559","0.003","2287.54","0.15","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 F N3 O3 -","- C29 H24 F N3 O3 -","- C116 H96 F4 N12 O12 -","4","2","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","","0.71073","MoKα","","0.057","0.0403","","","0.0879","0.0968","","","","","","1.017","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036283","9.5387","0.0005","12.5979","0.0006","19.8057","0.0011","90","","90","","90","","2380","0.2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N3 O3 -","- C29 H24 Cl N3 O3 -","- C116 H96 Cl4 N12 O12 -","4","1","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","","0.71073","MoKα","","0.0526","0.0391","","","0.0768","0.0828","","","","","","1.033","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036284","8.6262","0.0002","9.9045","0.0003","14.3555","0.0005","95.379","0.001","95.98","0.002","92.811","0.001","1212.32","0.06","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Cl N3 O3 -","- C29 H24 Cl N3 O3 -","- C58 H48 Cl2 N6 O6 -","2","1","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0459","0.0358","","","0.0854","0.0919","","","","","","1.03","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036285","8.865","0.0007","10.6628","0.0009","14.213","0.0011","109.553","0.008","100.777","0.007","102.741","0.007","1184.09","0.19","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O2 -","- C32 H26 N2 O2 -","- C64 H52 N4 O4 -","2","1","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","","0.71073","MoKα","","0.0742","0.0472","","","0.0932","0.1044","","","","","","1.02","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036286","16.1648","0.0017","17.0273","0.0014","20.075","0.003","78.595","0.012","76.463","0.012","73.597","0.012","5101.8","1.1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C80 H80 N3 -","- C84 H74.6667 N4 -","- C252 H224 N12 -","3","1.5","","Terao, Jun; Ohsawa, Masami; Masai, Hiroshi; Kurashige, Yuki; Fujihara, Tetsuaki; Tsuji, Yasushi","Synthesis of Molecular Wires Strapped by π-Conjugated Side Chains: Integration of Dehydrobenzo[20]annulene Units.","The Journal of organic chemistry","2015","80","17","8874","8880","10.1021/acs.joc.5b01414","","","0.7107","MoKα","","","0.1068","","","","0.3031","","","","","","1.09","","","","has coordinates","234507","2020-10-21","18:00:00",""
"4036287","9.739","0.003","12.21","0.003","20.31","0.005","98.441","0.003","100.946","0.004","96.794","0.004","2318.8","1.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 Cl2 N6 -","- C106 H104 Cl4 N12 -","- C106 H104 Cl4 N12 -","1","0.5","","Terao, Jun; Ohsawa, Masami; Masai, Hiroshi; Kurashige, Yuki; Fujihara, Tetsuaki; Tsuji, Yasushi","Synthesis of Molecular Wires Strapped by π-Conjugated Side Chains: Integration of Dehydrobenzo[20]annulene Units.","The Journal of organic chemistry","2015","80","17","8874","8880","10.1021/acs.joc.5b01414","","","0.7107","MoKα","","","0.0875","","","","0.3071","","","","","","1.043","","","","has coordinates,has disorder","286245","2023-09-06","15:38:55",""
"4036288","14.3132","0.0002","6.5406","0.0001","22.9007","0.0003","90","","90.404","0.001","90","","2143.84","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C25 H22 F N3 O3 -","- C25 H22 F N3 O3 -","- C100 H88 F4 N12 O12 -","4","2","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","","","0.0409","0.0367","","","0.0896","0.0938","","","","","","1.053","","","","has coordinates","234511","2020-10-21","18:00:00",""
"4036289","13.0236","0.0005","20.7843","0.0016","22.7086","0.0018","90","","90","","90","","6146.9","0.7","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 N2 O5 S2 -","- C34 H35 N2 O5 S2 -","- C272 H280 N16 O40 S16 -","8","2","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","CuKα","","0.1652","0.0899","","","0.1732","0.2159","","","","","","0.976","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036290","5.3134","0.0002","8.1507","0.0002","12.0605","0.0004","90","","93.485","0.003","90","","521.35","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C22 H28 N4 O4 -","2","1","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","","","0.0328","0.0306","","","0.073","0.0743","","","","","","1.08","","","","has coordinates","234515","2020-10-21","18:00:00",""
"4036291","9.9084","0.0006","10.3825","0.0007","17.9777","0.0011","106.418","0.0016","96.8036","0.0016","102.945","0.0016","1695.94","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4b in manuscript","","","- C33 H36 Cl3 N O9 -","- C33 H36 Cl3 N O9 -","- C66 H72 Cl6 N2 O18 -","2","1","","Baumgärtner, Kevin; Rominger, Frank; Mastalerz, Michael","An Oxidative Macrobicyclic Ring Opening of a Triptycene to a Highly Functionalized Fluorene Derivative.","The Journal of organic chemistry","2015","80","17","8881","8886","10.1021/acs.joc.5b01426","","","0.71073","MoKα","","0.0798","0.0553","","","0.1285","0.1423","","","","","","1.026","","","","has coordinates,has disorder","234518","2020-10-21","18:00:00",""
"4036292","9.7517","0.0011","22.499","0.003","32.974","0.004","90","","90","","90","","7234.6","1.5","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4d in manuscript","","","- C36.5 H43.5 Cl1.5 N O9 -","- C36.5 H43.5 Cl1.5 N O9 -","- C292 H348 Cl12 N8 O72 -","8","2","","Baumgärtner, Kevin; Rominger, Frank; Mastalerz, Michael","An Oxidative Macrobicyclic Ring Opening of a Triptycene to a Highly Functionalized Fluorene Derivative.","The Journal of organic chemistry","2015","80","17","8881","8886","10.1021/acs.joc.5b01426","","","0.71073","MoKα","","0.1023","0.0771","","","0.2004","0.2191","","","","","","1.063","","","","has coordinates,has disorder","234518","2020-10-21","18:00:00",""
"4036293","8.7849","0.0007","11.44","0.0009","17.157","0.0014","90","","90","","90","","1724.3","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Br N2 O3 S -","- C15 H23 Br N2 O3 S -","- C60 H92 Br4 N8 O12 S4 -","4","1","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0247","0.0246","","","0.0682","0.0684","","","","","","1.053","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036294","9.6663","0.0019","13.656","0.003","14.923","0.003","90","","90","","90","","1969.9","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Br N2 O3 S -","- C18 H27 Br N2 O3 S -","- C72 H108 Br4 N8 O12 S4 -","4","1","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0213","0.021","","","0.0516","0.0518","","","","","","1.044","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036295","12.5299","0.0008","12.5299","0.0008","53.989","0.004","90","","90","","120","","7340.6","0.9","100","2","100","2","","","","","","","","7","P 61","P 61","169","","","","- C22 H29 Cl2 F N2 O3 S -","- C22 H29 Cl2 F N2 O3 S -","- C264 H348 Cl24 F12 N24 O36 S12 -","12","2","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0607","0.0572","","","0.1443","0.1467","","","","","","1.05","","","","has coordinates,has disorder","234520","2020-10-21","18:00:00",""
"4036296","12.9062","0.001","13.2212","0.0011","22.5828","0.0018","90","","90","","90","","3853.4","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15.5 H24 Br Cl N2 O3 S -","- C15.5 H24 Br Cl N2 O3 S -","- C124 H192 Br8 Cl8 N16 O24 S8 -","8","2","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0252","0.0243","","","0.0615","0.0621","","","","","","1.045","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036297","10.0722","0.0015","11.2137","0.0016","13.464","0.002","90","","101.46","0.002","90","","1490.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br N2 O2 S -","- C15 H19 Br N2 O2 S -","- C60 H76 Br4 N8 O8 S4 -","4","1","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0279","0.0278","","","0.0744","0.0747","","","","","","1.074","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036298","12.5348","0.0004","14.0822","0.0005","18.0788","0.0006","90","","90","","90","","3191.23","0.19","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N O8 P S -","- C12 H16 N O8 P S -","- C96 H128 N8 O64 P8 S8 -","8","2","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0249","0.0241","","","0.0652","0.0658","","","","","","1.061","","","","has coordinates","234522","2020-10-21","18:00:00",""
"4036299","8.3695","0.0002","27.3023","0.0008","27.53","0.0008","90","","90","","90","","6290.8","0.3","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N O8 P S -","- C17 H26 N O8 P S -","- C204 H312 N12 O96 P12 S12 -","12","3","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0961","0.0586","","","0.119","0.1339","","","","","","1.04","","","","has coordinates","234524","2020-10-21","18:00:00",""
"4036300","9.5293","0.0004","15.7276","0.0006","10.3868","0.0004","90","","100.495","0.002","90","","1530.66","0.11","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 N O6 P S -","- C12 H18 N O6 P S -","- C48 H72 N4 O24 P4 S4 -","4","2","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0473","0.0392","","","0.0927","0.0975","","","","","","1.067","","","","has coordinates","234527","2020-10-21","18:00:00",""
"4036301","5.3049","0.0004","5.9648","0.0005","24.0989","0.0018","94.598","0.018","90.43","0.018","110.027","0.016","713.64","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","1-hydroxy-3-phenylurea","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","2","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0546","0.0383","","","0.0897","0.0962","","","","","","0.995","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036302","10.2998","0.0009","10.2998","0.0009","51.732","0.003","90","","90","","90","","5488","0.7","120","","120","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","N-((R)-1-Phenylethyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxamide","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C240 H288 N32 O32 -","16","2","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0482","0.0402","","","0.098","0.1041","","","","","","1.039","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036303","18.6391","0.0016","3.7176","0.0003","20.389","0.0016","90","","100.066","0.004","90","","1391.1","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Pyridinehydroxamic acid","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C48 H64 N16 O24 -","8","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","","0.0704","0.0552","","","0.1451","0.1593","","","","","","1.044","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036304","7.6572","0.0006","9.1842","0.0008","15.6746","0.0012","90","","90","","90","","1102.32","0.15","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","phenyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","0.5","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0465","0.0415","","","0.111","0.1149","","","","","","1.081","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036305","10.0933","0.0006","8.9883","0.0005","12.7337","0.0008","90","","90","","90","","1155.22","0.12","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","N-Phenyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxamide","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0333","0.0321","","","0.0853","0.0869","","","","","","1.053","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036306","7.2202","0.0003","10.5445","0.0005","25.028","0.0013","90","","90","","90","","1905.47","0.16","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-Hydroxy-3-(1-phenylethyl)urea","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C72 H96 N16 O16 -","8","2","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0506","0.0397","","","0.0971","0.1035","","","","","","1.053","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036307","13.713","0.001","5.8495","0.0005","14.8249","0.0012","90","","100.428","0.013","90","","1169.53","0.17","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl)-2-phenyl-ethanone","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0806","0.0668","","","0.172","0.1847","","","","","","1.08","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036308","9.0358","0.0009","10.3716","0.0013","11.8962","0.0014","90","","108.091","0.01","90","","1059.7","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl(phenyl)metha-none","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0534","0.0465","","","0.1252","0.1317","","","","","","1.053","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036309","13.5078","0.0008","9.166","0.0005","19.8312","0.0013","90","","90","","90","","2455.4","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,5-Dimethyl-N-phenyl-3,6-dihydro-2H-1,2-oxazine-2-carbox-amide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0528","0.0426","","","0.1151","0.1258","","","","","","1.021","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036310","7.7458","0.0006","8.3388","0.0006","9.2703","0.0007","77.293","0.003","68.194","0.003","84.734","0.003","542.28","0.07","156","","156","","","","","","","","","4","P -1","-P 1","2","","(4,5-Dimethyl-3,6-dihydro-2H-1,2-oxazin-2-yl)(pyridin-2-yl)methanone","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C24 H28 N4 O4 -","2","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0607","0.0399","","","0.0924","0.101","","","","","","0.95","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036311","5.8418","0.0005","8.6844","0.0007","20.7247","0.0019","90","","91.658","0.015","90","","1050.98","0.16","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","phenyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0619","0.0493","","","0.1396","0.1506","","","","","","1.072","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036312","12.7936","0.0001","16.4968","0.0001","16.9867","0.0001","90","","90","","90","","3585.1","0.04","150","","150","","","","","","","","from U of Wollongong","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 O2 P -","- C23 H21 O2 P -","- C184 H168 O16 P8 -","8","1","","Gregson, Aaron M.; Wales, Steven M.; Bailey, Stephen J.; Willis, Anthony C.; Keller, Paul A.","Cyclic Phosphine Oxides and Phosphinamides from Di-Grignard Reagents and Phosphonic Dichlorides: Modular Access to Annulated Phospholanes.","The Journal of organic chemistry","2015","80","19","9774","9780","10.1021/acs.joc.5b01476","","","1.54184","CuKα","","0.0326","0.0319","","0.0852","0.0847","0.0852","","","","","","1.0041","","","","has coordinates","234531","2020-10-21","18:00:00",""
"4036313","10.9621","0.0002","5.7224","0.0001","19.4829","0.0003","90","","92.8005","0.0013","90","","1220.69","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 O P -","- C14 H17 O P -","- C56 H68 O4 P4 -","4","1","","Gregson, Aaron M.; Wales, Steven M.; Bailey, Stephen J.; Willis, Anthony C.; Keller, Paul A.","Cyclic Phosphine Oxides and Phosphinamides from Di-Grignard Reagents and Phosphonic Dichlorides: Modular Access to Annulated Phospholanes.","The Journal of organic chemistry","2015","80","19","9774","9780","10.1021/acs.joc.5b01476","","","1.54184","CuKα","","0.0364","0.035","","0.0944","0.093","0.0944","","","","","","1.0075","","","","has coordinates","234532","2020-10-21","18:00:00",""
"4036314","22.557","0.003","13.1345","0.0018","23.298","0.003","90","","112.701","0.004","90","","6367.9","1.5","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","3a in manuscript","","","- C80 H86 -","- C80 H86 -","- C320 H344 -","4","1","","Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael","Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction.","The Journal of organic chemistry","2015","80","18","9342","9348","10.1021/acs.joc.5b01520","","","0.71073","MoKα","","0.1498","0.0722","","","0.1502","0.1961","","","","","","1.011","","","","has coordinates,has disorder","234534","2020-10-21","18:00:00",""
"4036315","18.7503","0.0015","11.6048","0.0009","36.709","0.003","90","","100.131","0.003","90","","7863.1","1.1","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","3b in manuscript","","","- C86 H100 -","- C86 H100 -","- C344 H400 -","4","1","","Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael","Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction.","The Journal of organic chemistry","2015","80","18","9342","9348","10.1021/acs.joc.5b01520","","","0.71073","MoKα","","0.1325","0.0809","","","0.1855","0.2244","","","","","","1.082","","","","has coordinates,has disorder","234534","2020-10-21","18:00:00",""
"4036316","17.898","0.002","25.162","0.003","20.571","0.003","90","","107.287","0.002","90","","8845.7","1.9","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","4e in manuscript","","","- C76 H64 Cl24 O12 -","- C76 H64 Cl24 O12 -","- C304 H256 Cl96 O48 -","4","0.5","","Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael","Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction.","The Journal of organic chemistry","2015","80","18","9342","9348","10.1021/acs.joc.5b01520","","","0.71073","MoKα","","0.1466","0.0843","","","0.1994","0.2368","","","","","","1.016","","","","has coordinates,has disorder","234534","2020-10-21","18:00:00",""
"4036317","26.107","0.01","5.2005","0.0018","17.707","0.006","90","","108.06","0.03","90","","2285.6","1.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 O2 -","- C34 H18 O2 -","- C136 H72 O8 -","4","0.5","","Watanabe, Motonori; Doi, Yasutaka; Hagiwara, Hidehisa; Staykov, Aleksandar Tsekov; Ida, Shintaro; Matsumoto, Taisuke; Shinmyozu, Teruo; Ishihara, Tatsumi","Synthesis and Investigation of the Effect of Substitution on the Structure, Physical Properties, and Electrochemical Properties of Anthracenodifuran Derivatives.","The Journal of organic chemistry","2015","80","18","9159","9166","10.1021/acs.joc.5b01525","","","1.54187","CuKα","","0.0798","0.0437","","","0.0775","0.0821","","","","","","0.989","","","","has coordinates,has disorder","234536","2020-10-21","18:00:00",""
"4036318","10.7793","0.001","21.212","0.002","38.195","0.004","90","","90","","90","","8733.3","1.5","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Boc-(L-Leu-L-Leu-Aib-D-Leu-D-Leu-Aib)2-OMe","","- C73 H135 N13 O16 -","- C73 H135 N13 O16 -","- C292 H540 N52 O64 -","4","1","","Demizu, Yosuke; Yamashita, Hiroko; Doi, Mitsunobu; Misawa, Takashi; Oba, Makoto; Tanaka, Masakazu; Kurihara, Masaaki","Topological Study of the Structures of Heterochiral Peptides Containing Equal Amounts of l-Leu and d-Leu.","The Journal of organic chemistry","2015","80","17","8597","8603","10.1021/acs.joc.5b01541","","","0.71073","MoKα","","0.0995","0.0983","","","0.1633","0.1636","","","","","","2.681","","","","has coordinates","234538","2020-10-21","18:00:00",""
"4036319","10.7549","0.0013","14.0615","0.0017","14.0682","0.0017","90.109","0.002","90.496","0.002","101.438","0.002","2085.2","0.4","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-Leu-Leu-Aib-(DLeu-Leu-Aib)2-OMe.butanone","","- C74 H136 N12 O16 -","- C74 H136 N12 O16 -","- C74 H136 N12 O16 -","1","1","","Demizu, Yosuke; Yamashita, Hiroko; Doi, Mitsunobu; Misawa, Takashi; Oba, Makoto; Tanaka, Masakazu; Kurihara, Masaaki","Topological Study of the Structures of Heterochiral Peptides Containing Equal Amounts of l-Leu and d-Leu.","The Journal of organic chemistry","2015","80","17","8597","8603","10.1021/acs.joc.5b01541","","","0.71073","MoKα","","0.0422","0.0391","","","0.1006","0.1026","","","","","","1.031","","","","has coordinates","234539","2020-10-21","18:00:00",""
"4036320","9.054","0.002","17.784","0.005","12.497","0.003","90","","92.949","0.004","90","","2009.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl3 N2 O4 -","- C19 H17 Cl3 N2 O4 -","- C76 H68 Cl12 N8 O16 -","4","1","","Ram, Ram N.; Soni, Vineet Kumar","Synthesis of α-Functionalized Trichloromethylcarbinols.","The Journal of organic chemistry","2015","80","17","8922","8928","10.1021/acs.joc.5b01547","","","0.71073","MoKα","","0.0405","0.0352","","","0.0921","0.0948","","","","","","1.031","","","","has coordinates","234541","2020-10-21","18:00:00",""
"4036321","8.829","0.003","9.24","0.004","11.236","0.004","109.714","0.006","99.852","0.006","97.848","0.007","831.3","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl3 O6 -","- C15 H13 Cl3 O6 -","- C30 H26 Cl6 O12 -","2","1","","Ram, Ram N.; Soni, Vineet Kumar","Synthesis of α-Functionalized Trichloromethylcarbinols.","The Journal of organic chemistry","2015","80","17","8922","8928","10.1021/acs.joc.5b01547","","","0.71073","MoKα","","0.0998","0.086","","","0.1532","0.1588","","","","","","1.311","","","","has coordinates","234542","2020-10-21","18:00:00",""
"4036322","19.034","0.007","19.358","0.01","27.771","0.01","73.896","0.018","71.58","0.012","60.691","0.011","8372","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H228 Br2 N50 O55 -","- C136 H166 Br N50 O50 -","- C272 H332 Br2 N100 O100 -","2","1","","Lin, Rui-Lian; Li, Jia-Qing; Liu, Jing-Xin; Kaifer, Angel E.","The Binding Interactions between Cyclohexanocucurbit[6]uril and Alkyl Viologens Give Rise to a Range of Diverse Structures in the Solid and the Solution Phases.","The Journal of organic chemistry","2015","80","21","10505","10511","10.1021/acs.joc.5b01557","","","0.71073","MoKα","","0.1313","0.0674","","","0.1683","0.19","","","","","","1.026","","","","has coordinates","234544","2020-10-21","18:00:00",""
"4036323","12.9606","0.0008","22.3961","0.0013","31.1055","0.0018","104.965","0.002","95.413","0.002","99.865","0.002","8502.1","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C138 H242 Br Cl2 K N50 O60 -","- C138 H164 Br Cl2 K N50 O50 -","- C276 H328 Br2 Cl4 K2 N100 O100 -","2","1","","Lin, Rui-Lian; Li, Jia-Qing; Liu, Jing-Xin; Kaifer, Angel E.","The Binding Interactions between Cyclohexanocucurbit[6]uril and Alkyl Viologens Give Rise to a Range of Diverse Structures in the Solid and the Solution Phases.","The Journal of organic chemistry","2015","80","21","10505","10511","10.1021/acs.joc.5b01557","","","0.71073","MoKα","","0.1925","0.0969","","","0.2548","0.2948","","","","","","1.016","","","","has coordinates","234546","2020-10-21","18:00:00",""
"4036324","12.53","0.01","14.783","0.012","22.267","0.018","94.868","0.009","92.011","0.009","104.466","0.008","3973","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H102 Br2 N26 O18 -","- C74 H90 Br2 N26 O18 -","- C148 H180 Br4 N52 O36 -","2","1","","Lin, Rui-Lian; Li, Jia-Qing; Liu, Jing-Xin; Kaifer, Angel E.","The Binding Interactions between Cyclohexanocucurbit[6]uril and Alkyl Viologens Give Rise to a Range of Diverse Structures in the Solid and the Solution Phases.","The Journal of organic chemistry","2015","80","21","10505","10511","10.1021/acs.joc.5b01557","","","0.71073","MoKα","","0.2369","0.1075","","","0.2484","0.2892","","","","","","1.027","","","","has coordinates","234548","2020-10-21","18:00:00",""
"4036325","9.7402","0.0004","11.0764","0.0005","23.9164","0.0011","90","","90","","90","","2580.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl N3 -","- C32 H28 Cl N3 -","- C128 H112 Cl4 N12 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","Pseudo-Multicomponent Reactions of Arynes with N-Aryl Imines.","The Journal of organic chemistry","2015","80","19","9767","9773","10.1021/acs.joc.5b01564","","x-ray","1.54184","CuKα","","0.0775","0.0652","","","0.1989","0.2081","","","","","","1.061","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036326","10.6357","0.00016","10.82044","0.00018","26.4828","0.0005","90","","91.872","0.0015","90","","3046.09","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 N3 O3 -","- C35 H35 N3 O3 -","- C140 H140 N12 O12 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","Pseudo-Multicomponent Reactions of Arynes with N-Aryl Imines.","The Journal of organic chemistry","2015","80","19","9767","9773","10.1021/acs.joc.5b01564","","x-ray","1.54184","CuKα","","0.0692","0.0609","","","0.1743","0.1844","","","","","","1.07","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036327","10.1193","0.0013","29.068","0.002","10.5161","0.001","90","","111.963","0.013","90","","2868.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N3 O -","- C35 H31 N3 O -","- C140 H124 N12 O4 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","Pseudo-Multicomponent Reactions of Arynes with N-Aryl Imines.","The Journal of organic chemistry","2015","80","19","9767","9773","10.1021/acs.joc.5b01564","","x-ray","1.54184","CuKα","","0.0599","0.0516","","","0.1391","0.1493","","","","","","1.029","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036328","10.9488","0.0003","11.2504","0.0003","20.0504","0.0005","90","","94.903","0.002","90","","2460.74","0.11","100","2","99.98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 O7 -","- C26 H36 O7 -","- C104 H144 O28 -","4","1","","Gervais, Anais; Lazarski, Kiel E.; Porco, Jr, John A","Divergent Total Syntheses of Rhodomyrtosones A and B.","The Journal of organic chemistry","2015","80","19","9584","9591","10.1021/acs.joc.5b01570","","","1.54178","CuKα","","0.0904","0.0669","","","0.202","0.2215","","","","","","1.056","","","","has coordinates,has disorder","234555","2020-10-21","18:00:00",""
"4036329","26.293","0.003","26.293","0.003","10.119","0.002","90","","90","","120","","6058.3","1.5","123","1","123","1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C324 H324 N36 -","18","1","","Yella, Ramesh; Gottlieb, Hugo E.; Hoz, Shmaryahu","A [2 + 3] Reductive Cyclodimerization of Quinoline by SmI2.","The Journal of organic chemistry","2015","80","17","8929","8932","10.1021/acs.joc.5b01572","","","0.71073","MoKα","","0.1227","0.121","","","0.2358","0.2372","","","","","","1.282","","","","has coordinates,has disorder","234557","2020-10-21","18:00:00",""
"4036330","5.5042","0.0002","15.9784","0.0008","25.4579","0.0012","90","","90","","90","","2238.98","0.17","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 F N O3 S -","- C23 H30 F N O3 S -","- C92 H120 F4 N4 O12 S4 -","4","1","","Shang, Huaqi; Li, Ya; Li, Xiang; Ren, Xinfeng","Diastereoselective Addition of Metal α-Fluoroenolates of Carboxylate Esters to N-tert-Butylsulfinyl Imines: Synthesis of α-Fluoro-β-amino Acids.","The Journal of organic chemistry","2015","80","17","8739","8747","10.1021/acs.joc.5b01574","","","1.54178","CuKα","","0.1004","0.061","","","0.1209","0.1431","","","","","","0.984","","","","has coordinates","234559","2020-10-21","18:00:00",""
"4036331","9.2139","0.0008","10.6559","0.0009","19.9578","0.0016","90","","90","","90","","1959.5","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl F N O3 S -","- C17 H25 Cl F N O3 S -","- C68 H100 Cl4 F4 N4 O12 S4 -","4","1","","Shang, Huaqi; Li, Ya; Li, Xiang; Ren, Xinfeng","Diastereoselective Addition of Metal α-Fluoroenolates of Carboxylate Esters to N-tert-Butylsulfinyl Imines: Synthesis of α-Fluoro-β-amino Acids.","The Journal of organic chemistry","2015","80","17","8739","8747","10.1021/acs.joc.5b01574","","","0.71073","MoKα","","0.092","0.0517","","","0.0888","0.1008","","","","","","0.967","","","","has coordinates","234561","2020-10-21","18:00:00",""
"4036332","7.9217","0.0015","20.462","0.006","9.881","0.002","90","","100.377","0.018","90","","1575.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3Z)-5-Cyclopropyl-3-[(4-fluorophenyl)(methylamino)methylidene]- 6-nitro-1-benzofuran-2(3H)-one","","- C19 H15 F N2 O4 -","- C19 H15 F N2 O4 -","- C76 H60 F4 N8 O16 -","4","1","","Bowman, Roy K.; Bullock, Kae M.; Copley, Royston C. B.; Deschamps, Nicole M.; McClure, Michael S.; Powers, Jeremiah D.; Wolters, Andy M.; Wu, Lianming; Xie, Shiping","Conversion of a Benzofuran Ester to an Amide through an Enamine Lactone Pathway: Synthesis of HCV Polymerase Inhibitor GSK852A.","The Journal of organic chemistry","2015","80","19","9610","9619","10.1021/acs.joc.5b01598","","","1.54178","CuKα","","0.1609","0.0601","","","0.0791","0.1176","","","","","","0.97","","","","has coordinates","234562","2020-10-21","18:00:00",""
"4036333","12.0888","0.0008","5.8043","0.0004","15.2224","0.001","90","","108.199","0.002","90","","1014.68","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Sigalov, Mark; Shainyan, Bagrat; Chipanina, Nina; Oznobikhina, Larisa; Strashnikova, Natalia; Sterkhova, Irina","Molecular Structure and Photoinduced Intramolecular Hydrogen Bonding in 2-Pyrrolylmethylidene Cycloalkanones.","The Journal of organic chemistry","2015","80","21","10521","10535","10.1021/acs.joc.5b01604","","","0.71073","MoKα","","0.0529","0.044","","","0.1135","0.119","","","","","","1.079","","","","has coordinates","234564","2020-10-21","18:00:00",""
"4036334","10.1052","0.001","12.0211","0.001","12.7419","0.0012","115.415","0.003","100.821","0.003","105.614","0.003","1262","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","2","","Sigalov, Mark; Shainyan, Bagrat; Chipanina, Nina; Oznobikhina, Larisa; Strashnikova, Natalia; Sterkhova, Irina","Molecular Structure and Photoinduced Intramolecular Hydrogen Bonding in 2-Pyrrolylmethylidene Cycloalkanones.","The Journal of organic chemistry","2015","80","21","10521","10535","10.1021/acs.joc.5b01604","","","0.71073","MoKα","","0.1218","0.0645","","","0.1313","0.1518","","","","","","1.045","","","","has coordinates","234565","2020-10-21","18:00:00",""
"4036335","8.3504","0.0006","15.777","0.0011","8.8718","0.0006","90","","104.976","0.002","90","","1129.11","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Sigalov, Mark; Shainyan, Bagrat; Chipanina, Nina; Oznobikhina, Larisa; Strashnikova, Natalia; Sterkhova, Irina","Molecular Structure and Photoinduced Intramolecular Hydrogen Bonding in 2-Pyrrolylmethylidene Cycloalkanones.","The Journal of organic chemistry","2015","80","21","10521","10535","10.1021/acs.joc.5b01604","","","0.71073","MoKα","","0.106","0.06","","","0.1351","0.1521","","","","","","1.068","","","","has coordinates","234566","2020-10-21","18:00:00",""
"4036336","8.2262","0.0003","13.4475","0.0005","8.5887","0.0005","90","","104.637","0.005","90","","919.26","0.07","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C44 H36 O4 S2 -","2","1","","Huang, Lisha; Li, Jiangtao; Zhao, Yan; Ye, Xinyi; Liu, Yang; Yan, Lin; Tan, Choon-Hong; Liu, Hongjun; Jiang, Zhiyong","Chiral Bicyclic Guanidine-Catalyzed Enantioselective Sulfenylation of Oxindoles and Benzofuran-2(3H)-ones.","The Journal of organic chemistry","2015","80","17","8933","8941","10.1021/acs.joc.5b01606","","","1.54184","CuKα","","0.0401","0.0357","","","0.0892","0.094","","","","","","1.061","","","","has coordinates","234568","2020-10-21","18:00:00",""
"4036337","8.2262","0.0003","13.4475","0.0005","8.5887","0.0005","90","","104.637","0.005","90","","919.26","0.07","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C44 H36 O4 S2 -","2","1","","Huang, Lisha; Li, Jiangtao; Zhao, Yan; Ye, Xinyi; Liu, Yang; Yan, Lin; Tan, Choon-Hong; Liu, Hongjun; Jiang, Zhiyong","Chiral Bicyclic Guanidine-Catalyzed Enantioselective Sulfenylation of Oxindoles and Benzofuran-2(3H)-ones.","The Journal of organic chemistry","2015","80","17","8933","8941","10.1021/acs.joc.5b01606","","","1.54184","CuKα","","0.0401","0.0357","","","0.0892","0.094","","","","","","1.061","","","","has coordinates","234569","2020-10-21","18:00:00",""
"4036338","9.4706","0.0002","7.5261","0.0001","14.8394","0.0004","90","","101.149","0.0008","90","","1037.74","0.04","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O6 S -","- C20 H18 F3 N O6 S -","- C40 H36 F6 N2 O12 S2 -","2","1","","Zaghi, Anna; Bernardi, Tatiana; Bertolasi, Valerio; Bortolini, Olga; Massi, Alessandro; De Risi, Carmela","One-Pot, Four-Step Organocatalytic Asymmetric Synthesis of Functionalized Nitrocyclopropanes.","The Journal of organic chemistry","2015","80","18","9176","9184","10.1021/acs.joc.5b01607","","","0.71073","MoKα","","0.0503","0.0376","","","0.0848","0.0922","","","","","","1.028","","","","has coordinates","234571","2020-10-21","18:00:00",""
"4036339","9.9358","0.0002","14.1582","0.0003","15.964","0.0003","90","","90","","90","","2245.7","0.08","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C112 H108 N4 O8 -","4","1","","Zhao, Jia-Jia; Zhang, Yu-Chen; Xu, Meng-Meng; Tang, Man; Shi, Feng","Catalytic Chemo-, E/Z-, and Enantioselective Cyclizations of o-Hydroxybenzyl Alcohols with Dimedone-Derived Enaminones.","The Journal of organic chemistry","2015","80","20","10016","10024","10.1021/acs.joc.5b01613","","","1.54178","CuKα","","0.0363","0.0358","","","0.0952","0.0957","","","","","","1.072","","","","has coordinates","234573","2020-10-21","18:00:00",""
"4036340","41.33","0.1","10.25","0.02","11.98","0.06","90","","97.7","0.4","90","","5029","3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 S2 Si -","- C52 H72 S2 Si -","- C208 H288 S8 Si4 -","4","1","","Chen, Chih-Wei; Fan, Kunzeng; Chen, Chih-Hsien; Huang, Shou-Ling; Liu, Yi-Hung; Lim, Tsong-Shin; Wang, Guan-Wu; Luh, Tien-Yau","Stereoselective Iterative Convergent Synthesis of Z-Oligodiacetylenes from Propargylic Dithioacetals.","The Journal of organic chemistry","2015","80","17","8772","8781","10.1021/acs.joc.5b01626","","","1.54178","CuKα","","0.054","0.0506","","","0.1597","0.163","","","","","","1.147","","","","has coordinates","234574","2020-10-21","18:00:00",""
"4036341","12.5145","0.0008","15.6544","0.001","9.2215","0.0005","90","","91.271","0.005","90","","1806.11","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O3 S -","- C17 H18 N2 O3 S -","- C68 H72 N8 O12 S4 -","4","1","","Han, Ya-Ping; Song, Xian-Rong; Qiu, Yi-Feng; Hao, Xin-Hua; Wang, Jia; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","Lewis Acid Mediated Tandem Reaction of Propargylic Alcohols with Hydroxylamine Hydrochloride To Give α,β-Unsaturated Amides and Alkenyl Nitriles.","The Journal of organic chemistry","2015","80","18","9200","9207","10.1021/acs.joc.5b01633","","","0.71073","MoKα","","0.1682","0.1061","","","0.2961","0.3586","","","","","","1.073","","","","has coordinates,has disorder","234576","2020-10-21","18:00:00",""
"4036342","9.173","0.0015","11.6089","0.0019","13.862","0.002","111.106","0.002","90.784","0.003","95.671","0.003","1368.4","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl N3 S -","- C15 H10 Cl N3 S -","- C60 H40 Cl4 N12 S4 -","4","2","","Yang, Daoshan; Yan, Kelu; Wei, Wei; Li, Guoqing; Lu, Shenglei; Zhao, Caixia; Tian, Laijin; Wang, Hua","Catalyst-Free Regioselective C-3 Thiocyanation of Imidazopyridines.","The Journal of organic chemistry","2015","80","21","11073","11079","10.1021/acs.joc.5b01637","","","0.71073","MoKα","","0.0725","0.0525","","","0.1231","0.1332","","","","","","1.026","","","","has coordinates","234577","2020-10-21","18:00:00",""
"4036343","8.033","0.002","10.739","0.003","18.778","0.005","90","","90","","90","","1619.9","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Zhao, Li-Ming; Zhang, Ai-Li; Gao, Hua-Shuai; Zhang, Jie-Huan","Synthesis of Furo[3,2-c]benzopyrans via an Intramolecular [4 + 2] Cycloaddition Reaction of o-Quinonemethides.","The Journal of organic chemistry","2015","80","20","10353","10358","10.1021/acs.joc.5b01641","","","0.71073","MoKα","","0.0383","0.035","","","0.0842","0.0873","","","","","","1.057","","","","has coordinates","234579","2020-10-21","18:00:00",""
"4036344","7.6216","0.0009","15.6106","0.0019","18.751","0.002","90","","97.596","0.002","90","","2211.4","0.4","93","2","93.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","CF3_anthracene_dimer_cistrans","","- C30 H20 F6 -","- C30 H19.939 F6 -","- C120 H79.756 F24 -","4","1","","Nogami, Emiko; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko","Stereochemical Investigation of the Products of the Photoinduced Perfluoroalkylation-Dimerization of Anthracene.","The Journal of organic chemistry","2015","80","18","9208","9213","10.1021/acs.joc.5b01655","","","0.71073","MoKα","","0.0821","0.0518","","","0.1158","0.1291","","","","","","1.04","","","","has coordinates,has disorder","234581","2020-10-21","18:00:00",""
"4036345","8.9617","","18.2627","","27.926","","90","","90","","90","","4570.5","","93.15","","93.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 F6 -","- C30 H20 F6 -","- C240 H160 F48 -","8","2","","Nogami, Emiko; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko","Stereochemical Investigation of the Products of the Photoinduced Perfluoroalkylation-Dimerization of Anthracene.","The Journal of organic chemistry","2015","80","18","9208","9213","10.1021/acs.joc.5b01655","","","0.71073","MoKα","","0.053","0.041","","","0.1126","0.124","","","","","","0.8334","","","","has coordinates","234582","2020-10-21","18:00:00",""
"4036346","11.1233","0.0013","16.569","0.002","11.7812","0.0014","90","","92.882","0.002","90","","2168.6","0.4","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 F6 -","- C30 H20 F6 -","- C120 H80 F24 -","4","0.5","","Nogami, Emiko; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko","Stereochemical Investigation of the Products of the Photoinduced Perfluoroalkylation-Dimerization of Anthracene.","The Journal of organic chemistry","2015","80","18","9208","9213","10.1021/acs.joc.5b01655","","","0.71073","MoKα","","0.0443","0.0406","","","0.1079","0.112","","","","","","1.045","","","","has coordinates","234584","2020-10-21","18:00:00",""
"4036347","4.9357","0.0007","22.117","0.003","27.42","0.004","90","","90","","90","","2993.2","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 N6 O5 -","- C27 H39 N6 O5 -","- C108 H156 N24 O20 -","4","1","","Duttagupta, Indranil; Misra, Debojyoti; Bhunya, Sourav; Paul, Ankan; Sinha, Surajit","Cis-Trans Conformational Analysis of δ-Azaproline in Peptides.","The Journal of organic chemistry","2015","80","21","10585","10604","10.1021/acs.joc.5b01668","","","0.71073","MoKα","","0.1853","0.0904","","","0.2001","0.2387","","","","","","0.982","","","","has coordinates,has disorder","234586","2020-10-21","18:00:00",""
"4036348","14.625","0.003","6.3084","0.0014","14.588","0.003","90","","105.522","0.005","90","","1296.8","0.5","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N3 O2 -","- C12 H17 N3 O2 -","- C48 H68 N12 O8 -","4","1","","Mercalli, Valentina; Massarotti, Alberto; Varese, Monica; Giustiniano, Mariateresa; Meneghetti, Fiorella; Novellino, Ettore; Tron, Gian Cesare","Multicomponent Reaction of Z-Chlorooximes, Isocyanides, and Hydroxylamines as Hypernucleophilic Traps. A One-Pot Route to Aminodioximes and Their Transformation into 5-Amino-1,2,4-oxadiazoles by Mitsunobu-Beckmann Rearrangement.","The Journal of organic chemistry","2015","80","19","9652","9661","10.1021/acs.joc.5b01676","","x-ray","0.71073","MoKα","","0.0939","0.0558","","","0.1349","0.1611","","","","","","1.078","","","","has coordinates","234588","2020-10-21","18:00:00",""
"4036349","10.5311","0.0009","14.0448","0.0012","15.9503","0.0014","90","","108.442","0.002","90","","2238","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O2 S -","- C28 H22 O2 S -","- C112 H88 O8 S4 -","4","1","","Yang, Zheng; Hao, Wen-Juan; Wang, Shu-Liang; Zhang, Jin-Peng; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Synthesis of Allenyl Sulfones via a TBHP/TBAI-Mediated Reaction of Propargyl Alcohols with Sulfonyl Hydrazides.","The Journal of organic chemistry","2015","80","18","9224","9230","10.1021/acs.joc.5b01684","","","0.71073","MoKα","","0.1371","0.0496","","","0.0508","0.0588","","","","","","0.925","","","","has coordinates","234590","2020-10-21","18:00:00",""
"4036350","10.2963","0.0009","13.5576","0.0012","17.0707","0.0014","104.48","0.003","106.81","0.003","90.286","0.003","2201","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 B2 N2 -","- C30 H22 B2 N2 -","- C120 H88 B8 N8 -","4","2","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.1186","0.0728","","","0.1885","0.2156","","","","","","1.035","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036351","10.4796","0.0017","14.933","0.003","11.2274","0.0018","90","","112.972","0.005","90","","1617.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 B N O S -","- C18 H16 B N O S -","- C72 H64 B4 N4 O4 S4 -","4","1","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.0544","0.0399","","","0.0981","0.1086","","","","","","1.029","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036352","26.563","0.002","5.5274","0.0005","20.585","0.003","90","","129.396","0.002","90","","2335.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 B2 N2 S2 -","- C30 H20 B2 N2 S2 -","- C120 H80 B8 N8 S8 -","4","0.5","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.0573","0.0362","","","0.0867","0.0988","","","","","","1.007","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036353","12.0682","0.0004","10.3044","0.0003","15.0172","0.0005","90","","105.288","0.001","90","","1801.39","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 B2 N2 O2 S2 -","- C42 H38 B2 N2 O2 S2 -","- C84 H76 B4 N4 O4 S4 -","2","0.5","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.0492","0.0435","","","0.1253","0.135","","","","","","1.066","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036354","9.6831","0.0003","14.5775","0.0005","14.0503","0.0004","90","","93.9397","0.0008","90","","1978.59","0.11","98","","98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl Cu N2 -","- C23 H26 Cl Cu N2 -","- C92 H104 Cl4 Cu4 N8 -","4","1","","Ando, Shin; Matsunaga, Hirofumi; Ishizuka, Tadao","A Bicyclic N-Heterocyclic Carbene as a Bulky but Accessible Ligand: Application to the Copper-Catalyzed Borylations of Aryl Halides.","The Journal of organic chemistry","2015","80","19","9671","9681","10.1021/acs.joc.5b01721","","","0.71075","MoKα","","0.0695","0.0688","","","0.1864","0.1869","","","","","","1.125","","","","has coordinates","234593","2020-10-21","18:00:00",""
"4036355","19.89","0.003","19.89","0.003","6.3216","0.0013","90","","90","","90","","2500.9","0.7","173.15","","173.15","","","","","","","","","4","P 42 n m","P 4n -2n","102","","","","- C61 H53 Cl3 N12 -","- C61 H53 Cl3 N12 -","- C122 H106 Cl6 N24 -","2","0.25","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.0587","0.0573","","","0.1457","0.1468","","","","","","1.13","","","","has coordinates","234596","2020-10-21","18:00:00",""
"4036356","17.774","0.005","11.314","0.003","11.548","0.003","90","","106.667","0.004","90","","2224.7","1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N8 -","- C26 H24 N8 -","- C104 H96 N32 -","4","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.1103","0.0854","","","0.2158","0.2293","","","","","","1.385","","","","has coordinates","234597","2020-10-21","18:00:00",""
"4036357","10.07","0.003","10.403","0.003","12.774","0.003","70.851","0.007","79.601","0.009","88.998","0.011","1242.1","0.6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N6 O4 -","- C30 H26 N6 O4 -","- C60 H52 N12 O8 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.0675","0.0613","","","0.1468","0.1509","","","","","","1.13","","","","has coordinates","234598","2020-10-21","18:00:00",""
"4036358","9.641","0.003","11.263","0.004","13.731","0.005","82.779","0.012","83.587","0.014","81.73","0.011","1457.1","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cl3 N8 O4 -","- C29 H25 Cl3 N8 O4 -","- C58 H50 Cl6 N16 O8 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.0736","0.0674","","","0.1602","0.1653","","","","","","1.121","","","","has coordinates,has disorder","234600","2020-10-21","18:00:00",""
"4036359","8.9573","0.0009","10.2459","0.0009","13.728","0.0014","108.56","0.009","91.146","0.008","96.441","0.008","1184.8","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N4 O2 -","- C28 H26 N6 O2 -","- C56 H52 N12 O4 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.1147","0.0589","","","0.1132","0.1435","","","","","","1.073","","","","has coordinates","234601","2020-10-21","18:00:00",""
"4036360","8.84","0.02","12.09","0.03","13.05","0.03","77.73","0.03","79.03","0.03","84.98","0.03","1336","5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O2 -","- C29 H30 N2 O2 -","- C58 H60 N4 O4 -","2","1","","Cheng, Guangsheng; He, Xiang; Tian, Lumin; Chen, Jiawen; Li, Chunju; Jia, Xueshun; Li, Jian","Ugi/Himbert Arene/Allene Diels-Alder Cycloaddition to Synthesize Strained Polycyclic Skeleton.","The Journal of organic chemistry","2015","80","21","11100","11107","10.1021/acs.joc.5b01724","","","0.71073","MoKα","","0.0652","0.0515","","","0.202","0.2345","","","","","","0.964","","","","has coordinates","234603","2020-10-21","18:00:00",""
"4036361","9.485","0.008","12.135","0.01","12.436","0.01","61.752","0.009","74.897","0.01","86.481","0.01","1214.1","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O2 -","- C29 H30 N2 O2 -","- C58 H60 N4 O4 -","2","1","","Cheng, Guangsheng; He, Xiang; Tian, Lumin; Chen, Jiawen; Li, Chunju; Jia, Xueshun; Li, Jian","Ugi/Himbert Arene/Allene Diels-Alder Cycloaddition to Synthesize Strained Polycyclic Skeleton.","The Journal of organic chemistry","2015","80","21","11100","11107","10.1021/acs.joc.5b01724","","","0.71073","MoKα","","0.0554","0.044","","","0.112","0.1182","","","","","","1.375","","","","has coordinates","234604","2020-10-21","18:00:00",""
"4036362","14.4873","0.0003","8.7725","0.0002","15.6803","0.0011","90","","107.542","0.008","90","","1900.13","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Drège, Emmanuelle; Venot, Pierre-Etienne; Le Bideau, Franck; Retailleau, Pascal; Joseph, Delphine","Two-Component Domino Reactions Initiated from Ketenes: Serendipitous Synthesis of Quinolizidinones Analogous to Chelated Lobeline's Conformation.","The Journal of organic chemistry","2015","80","20","10119","10126","10.1021/acs.joc.5b01727","","","1.54187","CuKα","","0.0531","0.0434","","","0.1134","0.1421","","","","","","1.135","","","","has coordinates","234606","2020-10-21","18:00:00",""
"4036363","15.926","0.002","11.464","0.001","11.398","0.001","90","","104.242","0.002","90","","2017","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Drège, Emmanuelle; Venot, Pierre-Etienne; Le Bideau, Franck; Retailleau, Pascal; Joseph, Delphine","Two-Component Domino Reactions Initiated from Ketenes: Serendipitous Synthesis of Quinolizidinones Analogous to Chelated Lobeline's Conformation.","The Journal of organic chemistry","2015","80","20","10119","10126","10.1021/acs.joc.5b01727","","","0.71073","MoKα","","0.0642","0.0428","","","0.1085","0.1217","","","","","","1.042","","","","has coordinates","234606","2020-10-21","18:00:00",""
"4036364","6.0142","0.0008","8.9088","0.0011","26.237","0.003","90","","94.181","0.002","90","","1402","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Goutham, Kommuru; Ashok Kumar, Desamala; Suresh, Surisetti; Sridhar, Balasubramanian; Narender, Ravirala; Karunakar, Galla V.","Gold-Catalyzed Intramolecular Cyclization of N-Propargylic β-Enaminones for the Synthesis of 1,4-Oxazepine Derivatives.","The Journal of organic chemistry","2015","80","21","11162","11168","10.1021/acs.joc.5b01733","","","0.71073","MoKα","","0.0778","0.046","","","0.1044","0.121","","","","","","1.007","","","","has coordinates","234608","2020-10-21","18:00:00",""
"4036365","14.031","0.006","7.662","0.003","18.392","0.008","90","","110.325","0.008","90","","1854.1","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ligand","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Jadhav, Santosh D.; Bakshi, Debanjan; Singh, Anand","Visible Light Mediated Organocatalytic Activation of Ethyl Bromofluoroacetate: Coupling with Indoles and Anilines.","The Journal of organic chemistry","2015","80","20","10187","10196","10.1021/acs.joc.5b01736","","","0.71073","MoKα","","0.0898","0.0606","","","0.1761","0.2124","","","","","","1.063","","","","has coordinates","234610","2020-10-21","18:00:00",""
"4036367","8.1242","0.001","5.5478","0.0007","21.829","0.003","90","","92.466","0.005","90","","983","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Cl N O4 -","- C23 H18 Cl N O4 -","- C46 H36 Cl2 N2 O8 -","2","1","","Saha, Prasenjit; Biswas, Arnab; Molleti, Nagaraju; Singh, Vinod K.","Enantioselective Synthesis of Highly Substituted Chromans via the Oxa-Michael-Michael Cascade Reaction with a Bifunctional Organocatalyst.","The Journal of organic chemistry","2015","80","21","11115","11122","10.1021/acs.joc.5b01751","","","0.71073","MoKα","","0.0618","0.0395","","","0.1056","0.1219","","","","","","0.842","","","","has coordinates","234615","2020-10-21","18:00:00",""
"4036368","9.588","0.0003","12.774","0.0003","21.6395","0.0007","90","","90","","90","","2650.34","0.13","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N3 O7 -","- C27 H30 N3 O7 -","- C108 H120 N12 O28 -","4","1","","Yin, Chengkai; Lin, Lili; Zhang, Dong; Feng, Juhua; Liu, Xiaohua; Feng, Xiaoming","Asymmetric [3 + 2] Cycloaddition of Methyleneindolinones with N,N'-Cyclic Azomethine Imines Catalyzed by a N,N'-Dioxide-Mg(OTf)2 Complex.","The Journal of organic chemistry","2015","80","19","9691","9699","10.1021/acs.joc.5b01760","","x-ray","1.54184","CuKα","","0.0531","0.0513","","","0.1366","0.1405","","","","","","1.131","","","","has coordinates","234616","2020-10-21","18:00:00",""
"4036369","8.6835","0.0001","10.0878","0.0002","27.4865","0.0004","90","","90","","90","","2407.75","0.07","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cl2 N O P Pd S -","- C24 H26 Cl2 N O P Pd S -","- C96 H104 Cl8 N4 O4 P4 Pd4 S4 -","4","1","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","MoKα","","0.022","0.0203","","","0.0444","0.0451","","","","","","1.072","","","","has coordinates","234618","2020-10-21","18:00:00",""
"4036370","16.7993","0.0002","9.8937","0.0001","22.8314","0.0003","90","","100.574","0.0011","90","","3730.3","0.08","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C71 H63 Cl13 N2 O2 P2 Pd2 S2 -","- C71 H63 Cl13 N2 O2 P2 Pd2 S2 -","- C142 H126 Cl26 N4 O4 P4 Pd4 S4 -","2","0.5","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","mokα","","0.0176","0.0168","","","0.0396","0.04","","","","","","1.042","","","","has coordinates,has disorder","234618","2020-10-21","18:00:00",""
"4036371","9.1192","0.0002","15.7386","0.0002","11.5249","0.0002","90","","106.157","0.002","90","","1588.76","0.05","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H34 Cl4 Fe N O P Pd -","- C31 H34 Cl4 Fe N O P Pd -","- C62 H68 Cl8 Fe2 N2 O2 P2 Pd2 -","2","1","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","MoKα","","0.0194","0.0186","","","0.0406","0.0411","","","","","","1.055","","","","has coordinates","234618","2020-10-21","18:00:00",""
"4036372","9.65882","0.00008","10.60526","0.00009","27.9871","0.0002","90","","97.2543","0.0007","90","","2843.89","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H78 Fe2 N2 O4 -","- C67 H78 Fe2 N2 O4 -","- C134 H156 Fe4 N4 O8 -","2","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0301","0.027","","","0.0627","0.0646","","","","","","1.029","","","","has coordinates,has disorder","234620","2020-10-21","18:00:00",""
"4036373","7.46927","0.00006","19.6221","0.0002","20.6504","0.0002","90","","90","","90","","3026.58","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 Fe N O2 Si -","- C34 H41 Fe N O2 Si -","- C136 H164 Fe4 N4 O8 Si4 -","4","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0247","0.0236","","","0.0634","0.0641","","","","","","1.061","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036374","17.2354","0.0002","25.5309","0.0003","16.9029","0.0002","90","","90","","90","","7437.87","0.15","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C74.5 H94 Fe4 Li4 N4 O8 -","- C72 H88 Fe4 Li4 N4 O8 -","- C288 H352 Fe16 Li16 N16 O32 -","4","0.5","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0355","0.0312","","","0.0712","0.073","","","","","","1.061","","","","has coordinates","264764","2021-05-03","08:11:05",""
"4036375","9.4054","0.0001","10.8382","0.0002","28.0924","0.0004","90","","97.196","0.001","90","","2841.12","0.07","240","2","240","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C63 H68 Cl2 Fe2 N2 O4 -","- C62 H66 Fe2 N2 O4 -","- C124 H132 Fe4 N4 O8 -","2","0.5","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0358","0.0327","","","0.0938","0.0962","","","","","","1.126","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036376","22.5647","0.0003","9.7136","0.0002","15.1484","0.0002","90","","104.989","0.002","90","","3207.32","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H41 Fe3 N O2 -","- C39 H41 Fe3 N O2 -","- C156 H164 Fe12 N4 O8 -","4","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0402","0.0361","","","0.0821","0.0852","","","","","","1.037","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036377","8.32646","0.00006","10.47455","0.00007","13.76824","0.00009","110.587","0.0006","96.9805","0.0005","91.5538","0.0005","1112.64","0.014","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C54 H58 N2 O4 -","2","2","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","1.54184","CuKα","","0.0317","0.0308","","","0.082","0.0831","","","","","","1.035","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036378","9.54492","0.00006","12.68954","0.00007","19.9983","0.0001","90","","90","","90","","2422.21","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N3 O2 -","- C27 H35 N3 O2 -","- C108 H140 N12 O8 -","4","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0277","0.0266","","","0.0678","0.0686","","","","","","1.037","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036379","9.51079","0.00004","9.51079","0.00004","44.3094","0.0002","90","","90","","120","","3471.04","0.03","100","2","100","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C26 H33 N3 O2 -","- C26 H33 N3 O2 -","- C156 H198 N18 O12 -","6","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0251","0.0248","","","0.0647","0.0651","","","","","","1.035","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036380","9.86627","0.00006","10.19647","0.00008","13.1369","0.0001","112.441","0.0008","90.0964","0.0006","91.9641","0.0006","1220.63","0.017","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H31 N3 O2 -","- C29 H31 N3 O2 -","- C58 H62 N6 O4 -","2","2","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0267","0.0257","","","0.0638","0.0647","","","","","","1.023","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036381","8.4077","0.0001","17.5482","0.0003","9.456","0.0002","90","","94.439","0.002","90","","1390.95","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H32 Cl2 Fe N3 O2 -","- C30 H32 Cl2 Fe N3 O2 -","- C60 H64 Cl4 Fe2 N6 O4 -","2","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.0298","0.0271","","","0.0559","0.0575","","","","","","1.036","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036382","9.9185","0.0008","10.6832","0.0009","14.5573","0.0012","90","","94.336","0.001","90","","1538.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl4 N3 O2 Zn -","- C28 H37 Cl4 N3 O2 Zn -","- C56 H74 Cl8 N6 O4 Zn2 -","2","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.039","0.0366","","","0.0945","0.0962","","","","","","1.044","","","","has coordinates,has disorder","234622","2020-10-21","18:00:00",""
"4036383","9.3141","0.0002","11.2722","0.0002","26.2759","0.0004","90","","90","","90","","2758.72","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 Cl2 N3 O2 Zn -","- C27 H35 Cl2 N3 O2 Zn -","- C108 H140 Cl8 N12 O8 Zn4 -","4","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.0275","0.0247","","","0.049","0.0502","","","","","","1.04","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036384","10.214","0.005","15.8","0.005","14.488","0.005","90","0.005","105.811","0.005","90","0.005","2249.6","1.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O6 -","- C26 H28 O6 -","- C104 H112 O24 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1033","0.0618","","","0.1534","0.1809","","","","","","1.047","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036385","29.035","0.005","9.629","0.005","20.038","0.005","90","0.005","121.711","0.005","90","0.005","4766","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 Cl4 O12 -","- C52 H52 Cl4 O12 -","- C208 H208 Cl16 O48 -","4","0.5","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71069","MoKα","","0.0861","0.0528","","","0.1206","0.1396","","","","","","1.025","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036386","19.478","0.003","13.91","0.002","21.979","0.003","90","","112.681","0.003","90","","5494.4","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45.33 H42.67 O8 -","- C45.3333 H42.6667 O8 -","- C272 H256 O48 -","6","1.5","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1514","0.0764","","","0.1994","0.2922","","","","","","1.028","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036387","9.872","0.002","12.077","0.003","16.125","0.004","90","","90","","90","","1922.5","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1021","0.0629","","","0.1317","0.1711","","","","","","1.081","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036388","7.968","0.002","20.772","0.006","26.086","0.008","90","","90","","90","","4318","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H56 O12 -","- C52 H56 O12 -","- C208 H224 O48 -","4","0.5","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1614","0.0776","","","0.1775","0.2233","","","","","","1.01","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036389","12.61","0.005","10.614","0.005","15.843","0.005","90","0.005","95.485","0.005","90","0.005","2110.8","1.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C96 H144 O16 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71069","MoKα","","0.0874","0.0568","","","0.1361","0.1575","","","","","","1.032","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036390","7.992","0.005","9.923","0.005","12.384","0.005","82.119","0.005","86.351","0.005","83.885","0.005","966.1","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C48 H48 O8 -","2","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.0895","0.0604","","","0.1383","0.1673","","","","","","1.049","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036391","8.018","0.005","9.654","0.005","14.715","0.005","81.337","0.005","80.762","0.005","69.641","0.005","1048.5","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C52 H56 O8 -","2","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1034","0.0732","","","0.1969","0.2441","","","","","","1.076","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036392","16.482","0.0011","9.0409","0.0006","22.9016","0.0015","90","","106.472","0.002","90","","3272.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","2","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1581","0.0857","","","0.1762","0.2084","","","","","","1.015","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4036393","12.5302","0.0011","13.0867","0.0011","22.9933","0.0019","90","","90","","90","","3770.4","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H55 O6 -","- C42 H55 O6 -","- C168 H220 O24 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.2321","0.0727","","","0.1188","0.1821","","","","","","0.954","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036394","14.06","0.007","9.757","0.005","15.785","0.008","90","","96.018","0.013","90","","2153.5","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H54 F2 O6 -","- C42 H54 F2 O6 -","- C84 H108 F4 O12 -","2","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.2005","0.0759","","","0.168","0.2022","","","","","","0.859","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036395","5.5809","0.0003","14.442","0.0007","16.1693","0.0007","90","","90","","90","","1303.24","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Chinta, Bhavani Shankar; Baire, Beeraiah","Stereoselective, Cascade Synthesis of trans-Enynones through Coupling-Isomerization Reaction.","The Journal of organic chemistry","2015","80","20","10208","10217","10.1021/acs.joc.5b01780","","","0.71073","MoKα","","0.0396","0.0324","","","0.0741","0.0784","","","","","","1.031","","","","has coordinates","234627","2020-10-21","18:00:00",""
"4036396","11.97","0.0009","7.4348","0.0007","29.213","0.002","90","","90","","90","","2599.8","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Chinta, Bhavani Shankar; Baire, Beeraiah","Stereoselective, Cascade Synthesis of trans-Enynones through Coupling-Isomerization Reaction.","The Journal of organic chemistry","2015","80","20","10208","10217","10.1021/acs.joc.5b01780","","","0.71073","MoKα","","0.0569","0.0398","","","0.0982","0.1115","","","","","","1.051","","","","has coordinates","234629","2020-10-21","18:00:00",""
"4036397","43.875","0.012","8.776","0.002","19.789","0.005","90","","98.921","0.005","90","","7528","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C400 H288 O32 -","16","2","","Yuan, Zhenbo; Fang, Xinxin; Li, Xuanyi; Wu, Jie; Yao, Hequan; Lin, Aijun","1,6-Conjugated Addition-Mediated [2+1] Annulation: Approach to Spiro[2.5]octa-4,7-dien-6-one.","The Journal of organic chemistry","2015","80","21","11123","11130","10.1021/acs.joc.5b01793","","","0.71073","MoKα","","0.1529","0.0778","","","0.1485","0.1963","","","","","","1.107","","","","has coordinates","234631","2020-10-21","18:00:00",""
"4036398","13.417","0.002","19.553","0.003","9.7821","0.0016","90","","108.595","0.003","90","","2432.3","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 O2 -","- C29 H32 O2 -","- C116 H128 O8 -","4","1","","Yuan, Zhenbo; Fang, Xinxin; Li, Xuanyi; Wu, Jie; Yao, Hequan; Lin, Aijun","1,6-Conjugated Addition-Mediated [2+1] Annulation: Approach to Spiro[2.5]octa-4,7-dien-6-one.","The Journal of organic chemistry","2015","80","21","11123","11130","10.1021/acs.joc.5b01793","","","0.71073","MoKα","","0.081","0.0467","","","0.1239","0.147","","","","","","1.019","","","","has coordinates","234633","2020-10-21","18:00:00",""
"4036399","13.239","0.003","15.838","0.003","17.467","0.003","90.102","0.001","106.346","0.004","112.778","0.006","3214.9","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H54 N8 O12 S2 -","- C54 H54 N8 O12 S2 -","- C108 H108 N16 O24 S4 -","2","1","","Zhao, Hong-Wu; Tian, Ting; Li, Bo; Yang, Zhao; Pang, Hai-Liang; Meng, Wei; Song, Xiu-Qing; Chen, Xiao-Qin","Diastereoselective Synthesis of Dispirobarbiturates through Et3N-Catalyzed [3 + 2] Cycloaddition of Barbiturate-Based Olefins with 3-Isothiocyanato Oxindoles.","The Journal of organic chemistry","2015","80","20","10380","10385","10.1021/acs.joc.5b01810","","","0.71073","MoKα","","0.0973","0.0702","","","0.1869","0.2015","","","","","","1.099","","","","has coordinates","234635","2020-10-21","18:00:00",""
"4036400","16.284","0.003","7.5128","0.0015","19.09","0.004","90","","108.77","0.03","90","","2211.2","0.9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O5 S -","- C24 H22 N4 O5 S -","- C96 H88 N16 O20 S4 -","4","1","","Zhao, Hong-Wu; Tian, Ting; Li, Bo; Yang, Zhao; Pang, Hai-Liang; Meng, Wei; Song, Xiu-Qing; Chen, Xiao-Qin","Diastereoselective Synthesis of Dispirobarbiturates through Et3N-Catalyzed [3 + 2] Cycloaddition of Barbiturate-Based Olefins with 3-Isothiocyanato Oxindoles.","The Journal of organic chemistry","2015","80","20","10380","10385","10.1021/acs.joc.5b01810","","","0.71073","MoKα","","0.0601","0.0501","","","0.1325","0.1423","","","","","","1.046","","","","has coordinates","234637","2020-10-21","18:00:00",""
"4036401","9.96","0.002","18.65","0.004","28.449","0.005","90","","90","","90","","5284.5","1.8","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H30.5 Cl1.5 N2 O3 -","- C27.5 H30.5 Cl1.5 N2 O3 -","- C220 H244 Cl12 N16 O24 -","8","2","","Attaba, Nassilia; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective NHC-Catalyzed Redox [4 + 2]-Hetero-Diels-Alder Reactions Using α,β-Unsaturated Trichloromethyl Ketones as Amide Equivalents.","The Journal of organic chemistry","2015","80","19","9728","9739","10.1021/acs.joc.5b01820","","","1.54187","CuKα","","0.0791","0.0741","","","0.2054","0.212","","","","","","1.066","","","","has coordinates","234639","2020-10-21","18:00:00",""
"4036402","5.0223","0.0018","11.561","0.004","16.488","0.006","90","","96.509","0.006","90","","951.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","04083z","","","- C5 H6 Cl N O4 S2 -","- C5 H6 Cl N O4 S2 -","- C20 H24 Cl4 N4 O16 S8 -","4","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","0.71073","MoKα","","0.03","0.0255","","","0.0683","0.0718","","","","","","1.057","","","","has coordinates","234641","2020-10-21","18:00:00",""
"4036403","19.338","0.006","9.106","0.002","21.687","0.011","90","","118.47","0.03","90","","3357","2","172","2","172","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","031026z","","","- C14 H18 N2 O4 S2 -","- C14 H18 N2 O4 S2 -","- C112 H144 N16 O32 S16 -","8","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","0.71073","MoKα","","0.1171","0.0574","","","0.1224","0.147","","","","","","1.006","","","","has coordinates","234641","2020-10-21","18:00:00",""
"4036404","4.862","0.0008","11.891","0.002","17.893","0.003","90","","93.661","0.003","90","","1032.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","04109","","","- C6 H9 N O5 S2 -","- C6 H9 N O5 S2 -","- C24 H36 N4 O20 S8 -","4","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","0.71073","MoKα","","0.0416","0.0318","","","0.0793","0.0858","","","","","","1.034","","","","has coordinates,has disorder","234641","2020-10-21","18:00:00",""
"4036405","7.2854","0.0003","8.4243","0.0003","12.9967","0.0005","100.849","0.001","94.925","0.001","113.418","0.001","707.36","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","15097a","","","- C12 H14 N2 O4 S2 -","- C12 H14 N2 O4 S2 -","- C24 H28 N4 O8 S4 -","2","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","1.54178","CuKα","","0.0327","0.0313","","","0.0813","0.0828","","","","","","1.043","","","","has coordinates","234641","2020-10-21","18:00:00",""
"4036406","22.1075","0.001","7.7997","0.0003","22.3762","0.001","90","","92.119","0.002","90","","3855.7","0.3","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H15 Br F3 N O3 -","- C20 H15 Br F3 N O3 -","- C160 H120 Br8 F24 N8 O24 -","8","2","","Zhao, Mei-Xin; Zhu, Hui-Kai; Dai, Tong-Lei; Shi, Min","Cinchona Alkaloid Squaramide-Catalyzed Asymmetric Michael Addition of α-Aryl Isocyanoacetates to β-Trifluoromethylated Enones and Its Applications in the Synthesis of Chiral β-Trifluoromethylated Pyrrolines.","The Journal of organic chemistry","2015","80","22","11330","11338","10.1021/acs.joc.5b01829","","","0.71073","MoKα","","0.0457","0.0359","","","0.0746","0.0788","","","","","","0.996","","","","has coordinates","234642","2020-10-21","18:00:00",""
"4036407","15.334","0.003","6.3606","0.0013","23.307","0.005","90","","90","","90","","2273.2","0.8","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 I N O2 -","- C11 H12 I N O2 -","- C88 H96 I8 N8 O16 -","8","1","","Liu, Gong-Qing; Yang, Chun-Hua; Li, Yue-Ming","Modular Preparation of 5-Halomethyl-2-oxazolines via PhI(OAc)2-Promoted Intramolecular Halooxygenation of N-Allylcarboxamides.","The Journal of organic chemistry","2015","80","22","11339","11350","10.1021/acs.joc.5b01832","","","0.71073","MoKα","","0.0474","0.0382","","","0.0857","0.0911","","","","","","1.101","","","","has coordinates,has disorder","234644","2020-10-21","18:00:00",""
"4036408","10.6682","0.0004","18.2369","0.0007","24.0876","0.001","90","","90","","90","","4686.4","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O2 -","- C28 H39 N O2 -","- C224 H312 N8 O16 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.0402","0.0384","","","0.1028","0.1044","","","","","","1.039","","","","has coordinates","234646","2020-10-21","18:00:00",""
"4036409","6.2753","0.0002","14.5021","0.0004","36.3418","0.0011","90","","90","","90","","3307.29","0.17","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C144 H240 O24 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.074","0.0512","","","0.1119","0.1236","","","","","","1.011","","","","has coordinates","234648","2020-10-21","18:00:00",""
"4036410","8.1042","0.0004","11.0238","0.0005","21.4504","0.001","90","","90","","90","","1916.36","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O3 -","- C22 H36 O3 -","- C88 H144 O12 -","4","1","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.0351","0.0326","","","0.0842","0.0864","","","","","","1.052","","","","has coordinates","234649","2020-10-21","18:00:00",""
"4036411","39.6144","0.0015","6.5116","0.0002","13.7635","0.0005","90","","95.754","0.002","90","","3532.4","0.2","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 O5 -","- C19 H28 O5 -","- C152 H224 O40 -","8","1","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.0479","0.0386","","","0.0957","0.1016","","","","","","1.028","","","","has coordinates","234651","2020-10-21","18:00:00",""
"4036412","11.075","0.002","10.596","0.002","17.27","0.006","90","","122.43","0.02","90","","1710.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O3 -","- C20 H17 Cl O3 -","- C80 H68 Cl4 O12 -","4","1","","Guo, Hao; Xing, Fen; Du, Guang-Fen; Huang, Kuo-Wei; Dai, Bin; He, Lin","N-Heterocyclic Carbene-Catalyzed Diastereoselective Vinylogous Michael Addition Reaction of γ-Substituted Deconjugated Butenolides.","The Journal of organic chemistry","2015","80","24","12606","12613","10.1021/acs.joc.5b01845","","","0.71073","MoKα","","0.1973","0.0965","","","0.139","0.1751","","","","","","1.086","","","","has coordinates","234652","2020-10-21","18:00:00",""
"4036413","12.9443","0.0008","10.34","0.0006","21.8826","0.0013","90","","96.624","0.003","90","","2909.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Bai, Yihui; Yin, Jing; Liu, Zhicheng; Zhu, Gangguo","Construction of 1-Naphthols via Benzannulation Based on the Reaction of Aryl tert-Butyl Ynol Ethers with Ynamides or Ynol Ethers.","The Journal of organic chemistry","2015","80","20","10226","10233","10.1021/acs.joc.5b01858","","","0.71073","MoKα","","0.1166","0.0739","","","0.1831","0.2278","","","","","","1.071","","","","has coordinates","234654","2020-10-21","18:00:00",""
"4036414","16.4246","0.0005","11.9941","0.0004","17.9328","0.0005","90","","90","","90","","3532.73","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","1","","Bai, Yihui; Yin, Jing; Liu, Zhicheng; Zhu, Gangguo","Construction of 1-Naphthols via Benzannulation Based on the Reaction of Aryl tert-Butyl Ynol Ethers with Ynamides or Ynol Ethers.","The Journal of organic chemistry","2015","80","20","10226","10233","10.1021/acs.joc.5b01858","","","0.71073","MoKα","","","0.0453","","","0.1201","0.1402","","","","","","1.007","","","","has coordinates","234655","2020-10-21","18:00:00",""
"4036416","19.3149","0.0011","4.7459","0.0003","18.9269","0.0011","90","","118.336","0.003","90","","1527.08","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-phenyl-5H-benzo[d]benzofuro[3,2-b]azepine","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Gai, Rafaela; Back, Davi F.; Zeni, Gilson","Potassium tert-Butoxide-Catalyzed Synthesis of Benzofuroazepines via Cyclization of (2-Alkynylbenzyl)oxy Nitriles.","The Journal of organic chemistry","2015","80","20","10278","10287","10.1021/acs.joc.5b01884","","","0.71073","MoKα","","0.07","0.0405","","","0.0879","0.1018","","","","","","1.03","","","","has coordinates","234658","2020-10-21","18:00:00",""
"4036417","10.0862","0.0011","16.0872","0.0018","23.252","0.003","74.012","0.004","83.444","0.004","84.65","0.004","3595.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H75 N5 O5 Zn -","- C87 H75 N5 O5 Zn -","- C174 H150 N10 O10 Zn2 -","2","1","","Jinadasa, R. G. Waruna; Fang, Yuanyuan; Kumar, Siddhartha; Osinski, Allen J.; Jiang, Xiaoqin; Ziegler, Christopher J.; Kadish, Karl M.; Wang, Hong","β-Functionalized Push-Pull opp-Dibenzoporphyrins.","The Journal of organic chemistry","2015","80","24","12076","12087","10.1021/acs.joc.5b01906","","","1.54178","CuKα","","0.0678","0.0649","","","0.1826","0.1857","","","","","","1.048","","","","has coordinates","234660","2020-10-21","18:00:00",""
"4036418","15.2394","0.0007","20.1577","0.0012","14.1744","0.0007","90","","90","","90","","4354.3","0.4","295","2","295","2","","","","","","","Synthesis as described","5","P c a 21","P 2c -2ac","29","","8,10-Dimethyl-2,4-diphenyl[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium perchlorate","","- C22 H18 Cl N5 O4 -","- C22 H18 Cl N5 O4 -","- C176 H144 Cl8 N40 O32 -","8","2","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.5418","CuKα","","0.1062","0.0488","","","0.086","0.1001","","","","","","0.779","","","","has coordinates","234661","2020-10-21","18:00:00",""
"4036419","6.08","0.002","11.239","0.004","16.514","0.007","90","","93.52","0.02","90","","1126.3","0.7","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4,9,9-Tetramethyl-11-oxo-12-phenyl-7,8,9,10,11,12- hexahydropyrimido[1',2':1,5][1,2,4]triazolo[3,4-b]quinazolin-5-ium perchlorate","","- C22 H24 Cl N5 O5 -","- C22 H24 Cl N5 O5 -","- C44 H48 Cl2 N10 O10 -","2","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","0.71073","MoKα","","0.0581","0.0463","","","0.1096","0.1173","","","","","","0.885","","","","has coordinates","234663","2020-10-21","18:00:00",""
"4036420","10.1218","0.0004","11.7847","0.0005","17.5742","0.0007","108.518","0.003","90.912","0.003","110.463","0.003","1843.21","0.14","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","8,10-Dimethyl-2,4-diphenyl-3,4-dihydro-2H- [1,2,4]triazolo[1,5-a:4,3-a']dipyrimidine","","- C22 H21 N5 -","- C22 H21 N5 -","- C88 H84 N20 -","4","2","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.54186","CuKα","","0.077","0.052","","","0.1161","0.1239","","","","","","0.865","","","","has coordinates","234665","2020-10-21","18:00:00",""
"4036421","6.358","0.003","11.396","0.005","16.064","0.006","90","","97.12","0.02","90","","1155","0.9","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","9-(Ethoxycarbonyl)-2,3,4,8-tetramethyl-10-phenyl-7,10- dihydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium perchlorate","","- C21 H24 Cl N5 O6 -","- C21 H24 Cl N5 O6 -","- C42 H48 Cl2 N10 O12 -","2","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.5418","CuKα","","0.0399","0.0376","","","0.104","0.1064","","","","","","1.005","","","","has coordinates","234666","2020-10-21","18:00:00",""
"4036422","35.671","0.008","11.8593","0.0017","11.2791","0.0016","90","","90","","90","","4771.4","1.4","295","2","295","2","","","","","","","Synthesis as described","5","P c c n","-P 2ab 2ac","56","","10,10-Dimethyl-8-oxo-7-phenyl-7,8,9,10,11,12-hexahydropyrimido[1',2':2,3] [1,2,4]triazolo[5,1-b]quinazolin-6-ium perchlorate","","- C20 H20 Cl N5 O5 -","- C20 H20 Cl N5 O5 -","- C160 H160 Cl8 N40 O40 -","8","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.54186","CuKα","","0.0869","0.0432","","","0.0955","0.1125","","","","","","0.893","","","","has coordinates","234667","2020-10-21","18:00:00",""
"4036423","9.9945","0.0003","12.2392","0.0005","13.0852","0.0004","90","","90","","90","","1600.64","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0605","0.056","","","0.1501","0.1541","","","","","","1.099","","","","has coordinates","234669","2020-10-21","18:00:00",""
"4036424","7.1026","0.0003","10.6355","0.0005","15.9122","0.0006","90","","90","","90","","1202","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0476","0.044","","","0.1102","0.1121","","","","","","1.005","","","","has coordinates","234670","2020-10-21","18:00:00",""
"4036425","16.2307","0.0004","8.9399","0.0002","10.0149","0.0003","90","","92.635","0.002","90","","1451.63","0.07","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0293","0.0276","","","0.0684","0.0695","","","","","","1.054","","","","has coordinates","234672","2020-10-21","18:00:00",""
"4036426","11.188","0.004","21.229","0.008","7.164","0.003","90","","90","","90","","1701.5","1.1","173.15","","173.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Li, Ming; Kong, Xiang-Jing; Wen, Li-Rong","Yb(OTf)3-Mediated Access to Furans from β-Ketothioamides via Eschenmoser Sulfide Contraction Reaction.","The Journal of organic chemistry","2015","80","24","11999","12005","10.1021/acs.joc.5b01924","","","0.71073","MoKα","","0.1109","0.0857","","","0.1288","0.142","","","","","","1.104","","","","has coordinates","234674","2020-10-21","18:00:00",""
"4036427","9.5132","0.0009","13.7101","0.0012","21.3394","0.0019","90","","90","","90","","2783.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Br N2 O2 S -","- C31 H29 Br N2 O2 S -","- C124 H116 Br4 N8 O8 S4 -","4","1","","Huang, You-ming; Zheng, Chang-wu; Pan, Lu; Jin, Qiao-wen; Zhao, Gang","Palladium(II)-Catalyzed Formal [3 + 2] Cycloaddition of Aziridines with 3-Substituted Indoles: Synthesis of Enantioenriched Pyrroloindolines.","The Journal of organic chemistry","2015","80","21","10710","10718","10.1021/acs.joc.5b01931","","","0.71073","MoKα","","0.064","0.0384","","","0.0782","0.0864","","","","","","0.972","","","","has coordinates","234676","2020-10-21","18:00:00",""
"4036428","12.649","0.004","11.438","0.003","14.333","0.004","90","","91.207","0.005","90","","2073.2","1","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18.67 Cl N3 O2.34 -","- C25 H18 Cl N3 O2.336 -","- C100 H72 Cl4 N12 O9.344 -","4","1","","Li, Jun-Hua; Feng, Ting-Fan; Du, Da-Ming","Construction of Spirocyclopropane-Linked Heterocycles Containing Both Pyrazolones and Oxindoles through Michael/Alkylation Cascade Reactions.","The Journal of organic chemistry","2015","80","22","11369","11377","10.1021/acs.joc.5b01940","","","0.71073","MoKα","","0.0856","0.0666","","","0.1642","0.1787","","","","","","1.003","","","","has coordinates","234678","2020-10-21","18:00:00",""
"4036429","11.3083","0.0006","7.5075","0.0004","30.7521","0.0018","90","","90","","90","","2610.8","0.2","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","","Chen, Jijun; Shao, Ying; Zheng, Hao; Cheng, Jiang; Wan, Xiaobing","Metal-Free Coupling of 2-Vinylphenols and Carboxylic Acids: An Access to 3-Acyloxy-2,3-dihydrobenzofurans.","The Journal of organic chemistry","2015","80","21","10734","10741","10.1021/acs.joc.5b01941","","","0.71073","MoKα","","0.0956","0.0563","","","0.1135","0.1273","","","","","","1.071","","","","has coordinates","234680","2020-10-21","18:00:00",""
"4036430","10.159","0.011","10.402","0.01","11.754","0.013","99.353","0.014","107.006","0.016","92.428","0.016","1167","2","193.1","","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl N2 O S -","- C28 H21 Cl N2 O S -","- C56 H42 Cl2 N4 O2 S2 -","2","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.0883","0.057","","","0.1478","0.1744","","","","","","1.034","","","","has coordinates","234682","2020-10-21","18:00:00",""
"4036431","12.807","0.004","8.392","0.002","21.506","0.007","90","","104.549","0.004","90","","2237.3","1.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 N2 S -","- C29 H22 N2 S -","- C116 H88 N8 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.096","0.0579","","","0.1579","0.2117","","","","","","1.07","","","","has coordinates","234683","2020-10-21","18:00:00",""
"4036432","9.624","0.003","24.158","0.008","10.334","0.003","90","","90","","90","","2402.6","1.3","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H30 N2 S -","- C31 H30 N2 S -","- C124 H120 N8 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.0999","0.0648","","","0.1061","0.1194","","","","","","1.082","","","","has coordinates","234684","2020-10-21","18:00:00",""
"4036433","11.19","0.003","16.745","0.004","13.133","0.003","90","","96.887","0.004","90","","2443.1","1","193.1","","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N2 S -","- C33 H24 N2 S -","- C132 H96 N8 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.099","0.0646","","","0.126","0.1411","","","","","","1.078","","","","has coordinates","234686","2020-10-21","18:00:00",""
"4036434","13.164","0.005","18.507","0.007","18.469","0.007","90","","107.362","0.005","90","","4295","3","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 N3 S -","- C27 H21 N3 S -","- C216 H168 N24 S8 -","8","2","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.1393","0.0901","","","0.1917","0.2327","","","","","","1.16","","","","has coordinates","234687","2020-10-21","18:00:00",""
"4036435","10.1218","0.0002","22.246","0.0003","12.1236","0.0002","90","","107.125","0.0008","90","","2608.83","0.08","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N4 S -","- C31 H30 N4 S -","- C124 H120 N16 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.0405","0.0375","","","0.0974","0.1001","","","","","","1.047","","","","has coordinates","234690","2020-10-21","18:00:00",""
"4036436","6.6821","0.0003","9.196","0.0004","15.8865","0.0006","96.246","0.004","100.362","0.003","110.893","0.003","881.11","0.07","191","2","191","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H16 N2 O6 -","- C21 H16 N2 O6 -","- C42 H32 N4 O12 -","2","2","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.1188","0.0611","","","0.1109","0.1342","","","","","","1.383","","","","has coordinates","234692","2020-10-21","18:00:00",""
"4036437","13.0454","0.0003","5.641","0.0001","15.4322","0.0003","90","","94.035","0.001","90","","1132.83","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0286","0.0279","","","0.0654","0.0659","","","","","","1.926","","","","has coordinates","234693","2020-10-21","18:00:00",""
"4036438","13.1669","0.0004","6.0551","0.0002","13.8168","0.0004","90","","94.548","0.002","90","","1098.1","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0386","0.0355","","","0.079","0.08","","","","","","1.82","","","","has coordinates","234695","2020-10-21","18:00:00",""
"4036439","9.367","0.01","9.367","0.01","49.29","0.09","90","","90","","120","","3745","9","164","2","164","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C26 H26 N2 O8 -","- C26 H26 N2 O8 -","- C156 H156 N12 O48 -","6","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.121","0.099","","","0.1474","0.1607","","","","","","1.188","","","","has coordinates","234697","2020-10-21","18:00:00",""
"4036440","13.6204","0.0003","5.6215","0.0001","17.7068","0.0004","90","","112.213","0.001","90","","1255.14","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 Cl2 N2 O6 -","- C28 H22 Cl2 N2 O6 -","- C56 H44 Cl4 N4 O12 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0244","0.0242","","","0.063","0.0632","","","","","","1.055","","","","has coordinates,has disorder","234698","2020-10-21","18:00:00",""
"4036441","8.0182","0.0001","14.4498","0.0002","16.8318","0.0002","90","","100.291","0.0017","90","","1918.78","0.04","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 F2 N O3 P -","- C19 H22 F2 N O3 P -","- C76 H88 F8 N4 O12 P4 -","4","1","","Baumann, Marcus; Baxendale, Ian R.","Batch and Flow Synthesis of Pyrrolo[1,2-a]-quinolines via an Allene-Based Reaction Cascade.","The Journal of organic chemistry","2015","80","21","10806","10816","10.1021/acs.joc.5b01982","","x-ray","0.71073","MoKα","","0.0527","0.044","","","0.116","0.122","","","","","","1.062","","","","has coordinates,has disorder","234699","2020-10-21","18:00:00",""
"4036442","11.8026","0.0002","11.7519","0.0002","17.7173","0.0003","90","","98.8047","0.0017","90","","2428.48","0.07","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Br Cl3 N2 O P -","- C25 H19 Br Cl3 N2 O P -","- C100 H76 Br4 Cl12 N8 O4 P4 -","4","1","","Baumann, Marcus; Baxendale, Ian R.","Batch and Flow Synthesis of Pyrrolo[1,2-a]-quinolines via an Allene-Based Reaction Cascade.","The Journal of organic chemistry","2015","80","21","10806","10816","10.1021/acs.joc.5b01982","","x-ray","0.71073","MoKα","","0.041","0.029","","","0.0652","0.0701","","","","","","1.009","","","","has coordinates","234699","2020-10-21","18:00:00",""
"4036443","9.676","0.0004","13.6599","0.0005","16.9725","0.0006","90","","90","","90","","2243.31","0.15","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Phenyl((1R,2R,4S,5S,8r)-tricyclo[3.2.1.0^2,4^]octan-8-yl)methanone","","- C15 H16 O -","- C15 H16 O -","- C120 H128 O8 -","8","1","","Apeland, Ingrid Malene; Rosenberg, Murray G.; Arion, Vladimir B.; Kählig, Hanspeter; Brinker, Udo H.","Intermolecular Reactions of a Foiled Carbene with Carbonyl Compounds: The Effects of Trishomocyclopropyl Stabilization.","The Journal of organic chemistry","2015","80","23","11877","11887","10.1021/acs.joc.5b01988","","","0.71073","MoKα","","0.0701","0.0462","","","0.1173","0.1313","","","","","","1.03","","","","has coordinates","234700","2020-10-21","18:00:00",""
"4036444","6.132","0.0002","10.695","0.0003","18.0264","0.0005","90","","90","","90","","1182.2","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-((1R,2R,4S,5S,8r)-8-Phenyltricyclo[3.2.1.0^2,4^]octan-8-yl) ethan-1-one","","- C16 H18 O -","- C16 H18 O -","- C64 H72 O4 -","4","1","","Apeland, Ingrid Malene; Rosenberg, Murray G.; Arion, Vladimir B.; Kählig, Hanspeter; Brinker, Udo H.","Intermolecular Reactions of a Foiled Carbene with Carbonyl Compounds: The Effects of Trishomocyclopropyl Stabilization.","The Journal of organic chemistry","2015","80","23","11877","11887","10.1021/acs.joc.5b01988","","","0.71073","MoKα","","0.061","0.044","","","0.1008","0.1099","","","","","","1.048","","","","has coordinates","234700","2020-10-21","18:00:00",""
"4036446","14.013","0.006","6.262","0.002","18.876","0.007","90","","111.247","0.006","90","","1543.8","1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br N O -","- C19 H16 Br N O -","- C76 H64 Br4 N4 O4 -","4","1","","Zhu, Wenju; Zhao, Liang; Wang, Mei-Xiang","Synthesis of 2,3-Dihydro-1H-azepine and 1H-Azepin-2(3H)-one Derivatives From Intramolecular Condensation between Stable Tertiary Enamides and Aldehydes.","The Journal of organic chemistry","2015","80","24","12047","12057","10.1021/acs.joc.5b02021","","","0.71073","MoKα","","0.0367","0.0329","","","0.0674","0.0691","","","","","","1.117","","","","has coordinates","234703","2020-10-21","18:00:00",""
"4036447","9.787","0.004","10.989","0.004","13.498","0.005","90","","103.78","0.005","90","","1409.9","0.9","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Zhu, Wenju; Zhao, Liang; Wang, Mei-Xiang","Synthesis of 2,3-Dihydro-1H-azepine and 1H-Azepin-2(3H)-one Derivatives From Intramolecular Condensation between Stable Tertiary Enamides and Aldehydes.","The Journal of organic chemistry","2015","80","24","12047","12057","10.1021/acs.joc.5b02021","","","0.71073","MoKα","","0.0702","0.0645","","","0.1251","0.1275","","","","","","1.239","","","","has coordinates","234704","2020-10-21","18:00:00",""
"4036448","11.514","0.003","7.897","0.002","16.978","0.005","90","","106.212","0.003","90","","1482.4","0.7","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Zhu, Wenju; Zhao, Liang; Wang, Mei-Xiang","Synthesis of 2,3-Dihydro-1H-azepine and 1H-Azepin-2(3H)-one Derivatives From Intramolecular Condensation between Stable Tertiary Enamides and Aldehydes.","The Journal of organic chemistry","2015","80","24","12047","12057","10.1021/acs.joc.5b02021","","","0.71073","MoKα","","0.073","0.0622","","","0.1191","0.1345","","","","","","1.219","","","","has coordinates","234706","2020-10-21","18:00:00",""
"4036449","6.0574","0.001","7.8021","0.0013","21.834","0.004","90","","93.715","0.003","90","","1029.7","0.3","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Fe N2 O4 -","- C24 H24 Fe N2 O4 -","- C48 H48 Fe2 N4 O8 -","2","1","","Koizumi, Akihiro; Kimura, Midori; Arai, Yuri; Tokoro, Yuichiro; Fukuzawa, Shin-ichi","Copper- and Silver-Catalyzed Diastereo- and Enantioselective Conjugate Addition Reaction of 1-Pyrroline Esters to Nitroalkenes: Diastereoselectivity Switch by Chiral Metal Complexes.","The Journal of organic chemistry","2015","80","21","10883","10891","10.1021/acs.joc.5b02024","","","0.71075","MoKα","","0.0346","0.03","","","0.0712","0.0723","","","","","","0.987","","","","has coordinates","234707","2020-10-21","18:00:00",""
"4036450","5.962","0.002","15.826","0.006","22.366","0.009","90","","90","","90","","2110.3","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Fe N2 O4 -","- C24 H24 Fe N2 O4 -","- C96 H96 Fe4 N8 O16 -","4","1","","Koizumi, Akihiro; Kimura, Midori; Arai, Yuri; Tokoro, Yuichiro; Fukuzawa, Shin-ichi","Copper- and Silver-Catalyzed Diastereo- and Enantioselective Conjugate Addition Reaction of 1-Pyrroline Esters to Nitroalkenes: Diastereoselectivity Switch by Chiral Metal Complexes.","The Journal of organic chemistry","2015","80","21","10883","10891","10.1021/acs.joc.5b02024","","","0.71075","MoKα","","0.0624","0.0492","","","0.1132","0.1263","","","","","","0.746","","","","has coordinates","234708","2020-10-21","18:00:00",""
"4036451","11.635","0.004","8.427","0.003","41.37","0.015","90","","90","","90","","4056","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H32 N2 O5 Si -","- C17 H32 N2 O5 Si -","- C136 H256 N16 O40 Si8 -","8","1","","Dong, Li; Geng, Caiwei; Jiao, Peng","Silyl Nitronate Cycloadditions Catalyzed by Cu(II)-Bisoxazoline.","The Journal of organic chemistry","2015","80","21","10992","11002","10.1021/acs.joc.5b02035","","","0.71073","MoKα","","0.1572","0.0865","","","0.1747","0.2014","","","","","","1.062","","","","has coordinates","234709","2020-10-21","18:00:00",""
"4036452","8.366","0.002","9.56","0.002","11.005","0.002","113.946","0.009","107.506","0.011","92.316","0.013","753.7","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","2","","Dong, Li; Geng, Caiwei; Jiao, Peng","Silyl Nitronate Cycloadditions Catalyzed by Cu(II)-Bisoxazoline.","The Journal of organic chemistry","2015","80","21","10992","11002","10.1021/acs.joc.5b02035","","","0.71073","MoKα","","0.0457","0.039","","","0.07","0.0735","","","","","","1.087","","","","has coordinates","234711","2020-10-21","18:00:00",""
"4036453","10.7298","0.0004","10.7298","0.0004","35.04","0.003","90","","90","","90","","4034.1","0.4","130","0.2","130","0.2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 N4 O5 -","- C20 H22 N4 O5 -","- C160 H176 N32 O40 -","8","1","","Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N.","Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.","The Journal of organic chemistry","2015","80","24","12058","12075","10.1021/acs.joc.5b02037","","","0.71073","MoKα","","0.0688","0.0444","","","0.083","0.0891","","","","","","0.888","","","","has coordinates","234712","2020-10-21","18:00:00",""
"4036454","6.1597","0.0012","24.878","0.005","7.5576","0.0015","90","","111.066","0.003","90","","1080.7","0.4","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Br2 O3 -","- C10 H14 Br2 O3 -","- C40 H56 Br8 O12 -","4","1","","Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N.","Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.","The Journal of organic chemistry","2015","80","24","12058","12075","10.1021/acs.joc.5b02037","","","0.71073","MoKα","","0.0372","0.03","","","0.0726","0.0747","","","","","","1.076","","","","has coordinates","234714","2020-10-21","18:00:00",""
"4036455","5.8916","0.0002","9.3511","0.0003","37.0887","0.0011","90","","90","","90","","2043.33","0.11","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O7 -","- C22 H24 N2 O7 -","- C88 H96 N8 O28 -","4","1","","Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N.","Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.","The Journal of organic chemistry","2015","80","24","12058","12075","10.1021/acs.joc.5b02037","","","1.5418","CuKα","","0.0809","0.0576","","","0.1248","0.132","","","","","","1.042","","","","has coordinates","234715","2020-10-21","18:00:00",""
"4036456","8.512","0.002","12.728","0.004","17.319","0.005","70.654","0.006","81.59","0.006","89.144","0.006","1750.2","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 B N -","- C44 H44 B N -","- C88 H88 B2 N2 -","2","1","","Wang, Chen; Xu, Qing-Wen; Zhang, Wei-Ning; Peng, Qian; Zhao, Cui-Hua","Charge-Transfer Emission in Organoboron-Based Biphenyls: Effect of Substitution Position and Conformation.","The Journal of organic chemistry","2015","80","21","10914","10924","10.1021/acs.joc.5b02038","","","0.71","MoKα","","0.1836","0.064","","","0.1317","0.1903","","","","","","0.905","","","","has coordinates","234717","2020-10-21","18:00:00",""
"4036457","14.43","0.002","14.644","0.0018","10.8744","0.0019","90","","92.153","0.013","90","","2296.3","0.6","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C100 H124 N4 O12 -","4","1","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.1955","0.1184","","","0.2532","0.2893","","","","","","1.096","","","","has coordinates","234718","2020-10-21","18:00:00",""
"4036458","10.0969","0.0003","9.8861","0.0003","18.7766","0.0006","90","","95.477","0.003","90","","1865.7","0.1","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.0458","0.036","","","0.0859","0.0913","","","","","","1.035","","","","has coordinates","234719","2020-10-21","18:00:00",""
"4036459","10.6203","0.0006","6.8903","0.0005","37.158","0.003","90","","90.063","0.006","90","","2719.1","0.3","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl2 N O3 -","- C29 H31 Cl2 N O3 -","- C116 H124 Cl8 N4 O12 -","4","1","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.1542","0.0859","","","0.1968","0.234","","","","","","1.056","","","","has coordinates","234720","2020-10-21","18:00:00",""
"4036460","10.2004","0.0005","13.5681","0.0006","33.3943","0.0014","94.499","0.004","92.879","0.004","90.481","0.004","4601.4","0.4","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C208 H216 N8 O24 -","8","4","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.1904","0.0696","","","0.0891","0.1201","","","","","","0.97","","","","has coordinates","234722","2020-10-21","18:00:00",""
"4036461","22.8455","0.0005","17.7889","0.0003","12.171","0.0003","90","","93.475","0.001","90","","4937.16","0.18","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 N2 O4 Si -","- C24 H38 N2 O4 Si -","- C192 H304 N16 O32 Si8 -","8","2","","Hinze, Meagan E.; Daughtry, Jessica L.; Lewis, Chad A.","Access to the Surugatoxin Alkaloids: Chemo-, Regio-, and Stereoselective Oxindole Annulation.","The Journal of organic chemistry","2015","80","22","11258","11265","10.1021/acs.joc.5b02053","","","0.71073","MoKα","","0.0935","0.0522","","","0.1255","0.1488","","","","","","1.008","","","","has coordinates","234723","2020-10-21","18:00:00",""
"4036465","13.442","0.002","33.697","0.006","3.8454","0.0006","90","","90","","90","","1741.8","0.5","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C29 H18 -","- C29 H18 -","- C116 H72 -","4","1","","Lee, Che-Wei; Liu, En-Chih; Wu, Yao-Ting","Palladium-Catalyzed Reaction of Haloarenes with Diarylethynes: Synthesis, Structural Analysis, and Properties of Methylene-Bridged Arenes.","The Journal of organic chemistry","2015","80","21","10446","10456","10.1021/acs.joc.5b02111","","","0.71073","MoKα","","0.0686","0.0572","","","0.1203","0.1244","","","","","","1.148","","","","has coordinates","234729","2020-10-21","18:00:00",""
"4036466","6.3582","0.0004","8.2725","0.0005","46.165","0.003","90","","90","","90","","2428.2","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br N4 O5 -","- C24 H23 Br N4 O5 -","- C96 H92 Br4 N16 O20 -","4","1","","Lee, Hyo-Jun; Cho, Chang-Woo","Enantioselective Phase-Transfer-Catalyzed Synthesis of Chiral N-Substituted 3,3-Dinitroazetidines by Aza-Michael Reaction.","The Journal of organic chemistry","2015","80","22","11435","11440","10.1021/acs.joc.5b02124","","","1.54178","CuKα","","0.0586","0.0544","","","0.1419","0.1455","","","","","","1.052","","","","has coordinates","234731","2020-10-21","18:00:00",""
"4036467","6.145","0.0004","8.425","0.0005","17.675","0.0008","95.659","0.006","95.515","0.006","99.965","0.005","890.87","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C44 H40 O4 S2 -","2","1","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.0645","0.0456","","","0.1129","0.1239","","","","","","1.083","","","","has coordinates","234733","2020-10-21","18:00:00",""
"4036468","16.029","0.0013","16.027","0.005","21.723","0.006","90","","90.705","0.011","90","","5580","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C256 H256 O32 S16 -","16","4","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.2234","0.1249","","","0.3155","0.4009","","","","","","1.002","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4036469","5.714","0.0006","17.385","0.002","19.291","0.003","90","","97.533","0.008","90","","1899.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O2 S -","- C23 H22 O2 S -","- C92 H88 O8 S4 -","4","1","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.1561","0.0626","","","0.1281","0.1633","","","","","","0.969","","","","has coordinates","234735","2020-10-21","18:00:00",""
"4036470","11.471","0.0008","7.889","0.0007","15.246","0.001","90","","93.537","0.008","90","","1377.05","0.18","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.0989","0.0593","","","0.1434","0.1648","","","","","","1.047","","","","has coordinates","234736","2020-10-21","18:00:00",""
"4036471","30.883","0.006","14.684","0.003","8.1485","0.0015","90","","91.665","0.003","90","","3693.7","1.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H34 -","- C56 H34 -","- C224 H136 -","4","0.5","","Feng, Xing; Tomiyasu, Hirotsugu; Hu, Jian-Yong; Wei, Xianfu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Yamato, Takehiko","Regioselective Substitution at the 1,3- and 6,8-Positions of Pyrene for the Construction of Small Dipolar Molecules.","The Journal of organic chemistry","2015","80","21","10973","10978","10.1021/acs.joc.5b02128","","","0.7085","synchrotron","","0.0547","0.047","","","0.1359","0.1439","","","","","","1.047","","","","has coordinates","234738","2020-10-21","18:00:00",""
"4036472","13.1052","0.0005","13.4575","0.0004","16.6219","0.0005","102.829","0.003","92.996","0.003","104.207","0.003","2753.16","0.17","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H18 -","- C28 H18 -","- C168 H108 -","6","3","","Feng, Xing; Tomiyasu, Hirotsugu; Hu, Jian-Yong; Wei, Xianfu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Yamato, Takehiko","Regioselective Substitution at the 1,3- and 6,8-Positions of Pyrene for the Construction of Small Dipolar Molecules.","The Journal of organic chemistry","2015","80","21","10973","10978","10.1021/acs.joc.5b02128","","","1.54184","CuKα","","0.0524","0.0446","","","0.1164","0.1235","","","","","","1.018","","","","has coordinates","234739","2020-10-21","18:00:00",""
"4036473","11.3528","0.0006","12.4313","0.0007","19.1537","0.001","90","","90","","90","","2703.2","0.3","150","2","150","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C40 H26 -","- C40 H26 -","- C160 H104 -","4","1","","Feng, Xing; Tomiyasu, Hirotsugu; Hu, Jian-Yong; Wei, Xianfu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Yamato, Takehiko","Regioselective Substitution at the 1,3- and 6,8-Positions of Pyrene for the Construction of Small Dipolar Molecules.","The Journal of organic chemistry","2015","80","21","10973","10978","10.1021/acs.joc.5b02128","","","0.71073","MoKα","","0.06","0.0465","","","0.1157","0.1219","","","","","","1.075","","","","has coordinates","234741","2020-10-21","18:00:00",""
"4036474","7.1014","0.0008","4.5936","0.0005","17.649","0.002","90","","98.661","0.003","90","","569.16","0.11","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 N -","- C17 H11 N -","- C34 H22 N2 -","2","0.5","","Han, Wenyong; Zhou, Xiaojian; Yang, Siyi; Xiang, Guangyan; Cui, Baodong; Chen, Yongzheng","Palladium-Catalyzed Nucleophilic Substitution/C-H Activation/Aromatization Cascade Reaction: One Approach To Construct 6-Unsubstituted Phenanthridines.","The Journal of organic chemistry","2015","80","22","11580","11587","10.1021/acs.joc.5b02145","","","0.71073","MoKα","","0.0506","0.0376","","","0.0956","0.1043","","","","","","1.076","","","","has coordinates,has disorder","234742","2020-10-21","18:00:00",""
"4036475","7.2031","0.0005","9.4082","0.0005","10.7921","0.0007","76.882","0.002","77.792","0.003","71.232","0.002","666.76","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-hydroxy-5-methyl quinolinium chloride 3-carboxylate","","- C13 H14 Cl N O3 -","- C13 H14 Cl N O3 -","- C26 H28 Cl2 N2 O6 -","2","1","","Horta, Pedro; Kuş, Nihal; Henriques, Marta Sofia C.; Paixão, José A; Coelho, Lis; Nogueira, Fátima; O'Neill, Paul M; Fausto, Rui; Cristiano, Maria Lurdes Santos","Quinolone-Hydroxyquinoline Tautomerism in Quinolone 3-Esters. Preserving the 4-Oxoquinoline Structure To Retain Antimalarial Activity.","The Journal of organic chemistry","2015","80","24","12244","12257","10.1021/acs.joc.5b02169","","","0.71073","MoKα","","0.1271","0.0559","","","0.1377","0.1661","","","","","","1.018","","","","has coordinates,has disorder","234744","2020-10-21","18:00:00",""
"4036476","7.1677","0.0009","8.7831","0.001","12.2082","0.0014","83.465","0.006","74.368","0.006","85.537","0.007","734.43","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2-[(3-methylphenylamino)methylene]malonate","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Horta, Pedro; Kuş, Nihal; Henriques, Marta Sofia C.; Paixão, José A; Coelho, Lis; Nogueira, Fátima; O'Neill, Paul M; Fausto, Rui; Cristiano, Maria Lurdes Santos","Quinolone-Hydroxyquinoline Tautomerism in Quinolone 3-Esters. Preserving the 4-Oxoquinoline Structure To Retain Antimalarial Activity.","The Journal of organic chemistry","2015","80","24","12244","12257","10.1021/acs.joc.5b02169","","","0.71073","","","0.1114","0.0532","","","0.1403","0.1864","","","","","","1.014","","","","has coordinates","234745","2020-10-21","18:00:00",""
"4036477","9.631","0.003","14.176","0.004","13.662","0.004","90","","107.142","0.003","90","","1782.4","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Kotomori, Yuri; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Stereochemical Course of Deprotonation-Acylation of N-Boc- and N-Carbamoyl-2-cyano-6-methylpiperidines.","The Journal of organic chemistry","2015","80","21","11013","11020","10.1021/acs.joc.5b02178","","","0.71073","MoKα","","0.0663","0.0444","","","0.103","0.1412","","","","","","1.114","","","","has coordinates","234746","2020-10-21","18:00:00",""
"4036478","9.1671","0.0006","11.7222","0.0007","15.8315","0.001","90","","101.753","0.001","90","","1665.56","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","","Kotomori, Yuri; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Stereochemical Course of Deprotonation-Acylation of N-Boc- and N-Carbamoyl-2-cyano-6-methylpiperidines.","The Journal of organic chemistry","2015","80","21","11013","11020","10.1021/acs.joc.5b02178","","","1.54178","CuKα","","0.0384","0.0358","","","0.1002","0.1094","","","","","","1.128","","","","has coordinates","234747","2020-10-21","18:00:00",""
"4036479","9.0012","0.0009","11.5929","0.0011","15.911","0.0017","90","","106.194","0.001","90","","1594.4","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N3 O2 -","- C17 H21 N3 O2 -","- C68 H84 N12 O8 -","4","1","","Kotomori, Yuri; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Stereochemical Course of Deprotonation-Acylation of N-Boc- and N-Carbamoyl-2-cyano-6-methylpiperidines.","The Journal of organic chemistry","2015","80","21","11013","11020","10.1021/acs.joc.5b02178","","","0.71073","MoKα","","0.0362","0.0323","","","0.0799","0.0827","","","","","","1.063","","","","has coordinates","234748","2020-10-21","18:00:00",""
"4036482","7.4575","0.0005","18.2889","0.0011","9.166","0.0006","90","","91.2782","0.0009","90","","1249.83","0.14","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-methoxy-3-methyl-2-(phenylselanyl)phenol","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C56 H56 O8 Se4 -","4","1","","Shao, Wenjie; Clive, Derrick L. J.","A Family of Routes to Substituted Phenols, Including Meta-Substituted Phenols.","The Journal of organic chemistry","2015","80","24","12280","12287","10.1021/acs.joc.5b02187","","","0.71073","MoKα","","0.0486","0.0358","","","0.0885","0.0961","","","","","","1.046","","","","has coordinates","234754","2020-10-21","18:00:00",""
"4036483","21.702","0.002","8.0436","0.0009","14.12","0.0015","90","","96.518","0.001","90","","2448.9","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 N O S -","- C33 H25 N O S -","- C132 H100 N4 O4 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0526","0.0454","","","0.1254","0.1305","","","","","","1.052","","","","has coordinates","276320","2022-06-28","13:45:49",""
"4036484","8.792","0.002","11.707","0.003","13.616","0.004","103.38","0.003","99.02","0.003","94.318","0.003","1337.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N3 S -","- C36 H25 N3 S -","- C72 H50 N6 S2 -","2","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.072","0.0624","","","0.1665","0.1722","","","","","","1.055","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036485","13.8969","0.0012","7.9974","0.0007","21.6888","0.0019","90","","90","","90","","2410.5","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H25 N O S -","- C33 H25 N O S -","- C132 H100 N4 O4 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0755","0.0749","","","0.1921","0.1933","","","","","","1.034","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036486","17.2464","0.0012","11.4732","0.0008","14.313","0.001","90","","108.764","0.001","90","","2681.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 N3 S -","- C36 H25 N3 S -","- C144 H100 N12 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0515","0.0393","","","0.1043","0.1092","","","","","","1.029","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036487","8.615","0.001","29.296","0.003","19.944","0.002","90","","99.955","0.002","90","","4957.8","0.9","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 N2 S -","- C33 H24 N2 S -","- C264 H192 N16 S8 -","8","2","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0566","0.0413","","","0.1019","0.1081","","","","","","1.007","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036488","21.543","0.005","8.059","0.002","13.926","0.003","90","","92.104","0.006","90","","2416.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N2 S -","- C33 H24 N2 S -","- C132 H96 N8 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.056","0.0468","","","0.1162","0.1231","","","","","","1.022","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036489","21.7182","0.001","7.9668","0.0004","14.0081","0.0006","90","","95.08","0.001","90","","2414.22","0.19","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O2 S -","- C32 H24 N2 O2 S -","- C128 H96 N8 O8 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0472","0.04","","","0.1233","0.1339","","","","","","1.054","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036491","20.57","0.007","15.208","0.005","16.16","0.005","90","","91.127","0.009","90","","5054","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Methyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine_(6b","6B","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C224 H144 F48 N32 -","16","4","","De Rosa, Michael; Arnold, David; Hartline, Douglas; Truong, Linda; Verner, Roman; Wang, Tianwei; Westin, Christian","Effect of Bronsted Acids and Bases, and Lewis Acid (Sn(2+)) on the Regiochemistry of the Reaction of Amines with Trifluoromethyl-β-diketones: Reaction of 3-Aminopyrrole to Selectively Produce Regioisomeric 1H-Pyrrolo[3,2-b]pyridines.","The Journal of organic chemistry","2015","80","24","12288","12299","10.1021/acs.joc.5b02192","","","0.71073","MoKα","","0.2221","0.101","","","0.2003","0.252","","","","","","1.042","","","","has coordinates,has disorder","234766","2020-10-21","18:00:00",""
"4036492","11.813","0.009","11.294","0.009","18.965","0.014","90","","107.73","0.011","90","","2410","3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-Methyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine","5B","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C112 H72 F24 N16 -","8","2","","De Rosa, Michael; Arnold, David; Hartline, Douglas; Truong, Linda; Verner, Roman; Wang, Tianwei; Westin, Christian","Effect of Bronsted Acids and Bases, and Lewis Acid (Sn(2+)) on the Regiochemistry of the Reaction of Amines with Trifluoromethyl-β-diketones: Reaction of 3-Aminopyrrole to Selectively Produce Regioisomeric 1H-Pyrrolo[3,2-b]pyridines.","The Journal of organic chemistry","2015","80","24","12288","12299","10.1021/acs.joc.5b02192","","","0.71073","MoKα","","0.2217","0.1161","","","0.3044","0.3475","","","","","","1.096","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4036493","8.109","0.003","12.25","0.005","21.727","0.009","76.874","0.007","81.153","0.009","80.376","0.008","2057.2","1.4","298","","298","","","","","","","","","4","P -1","-P 1","2","12","(Z)-3-(Diphenylboryloxy)-1,3-diphenylprop-2-en-1-one","","- C54 H42 B2 O4 -","- C27 H21 B O2 -","- C108 H84 B4 O8 -","4","2","","De Rosa, Michael; Arnold, David; Hartline, Douglas; Truong, Linda; Verner, Roman; Wang, Tianwei; Westin, Christian","Effect of Bronsted Acids and Bases, and Lewis Acid (Sn(2+)) on the Regiochemistry of the Reaction of Amines with Trifluoromethyl-β-diketones: Reaction of 3-Aminopyrrole to Selectively Produce Regioisomeric 1H-Pyrrolo[3,2-b]pyridines.","The Journal of organic chemistry","2015","80","24","12288","12299","10.1021/acs.joc.5b02192","","","0.71073","MoKα","","0.2133","0.1655","","","0.4455","0.4658","","","","","","1.433","","","","has coordinates","234768","2020-10-21","18:00:00",""
"4036494","8.036","0.002","23.367","0.006","11.456","0.003","90","","104.521","0.009","90","","2082.5","0.9","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-azobenzene-F","(Z)-1-(2-fluorophenyl)-2-phenyldiazene","","- C12 H9 F N2 -","- C12 H9 F N2 -","- C96 H72 F8 N16 -","8","2","","Rastogi, S. K.; Rogers, R. A.; Shi, J.; Gao, C.; Rinaldi, P. L.; Brittain, W. J.","Conformational Dynamics of o-Fluoro-Substituted Z-Azobenzene.","The Journal of organic chemistry","2015","80","22","11485","11490","10.1021/acs.joc.5b02202","","","0.71075","MoKα","","0.261","0.1127","","","0.323","0.4278","","","","","","1.021","","","","has coordinates","234769","2020-10-21","18:00:00",""
"4036495","10.2984","0.001","10.7386","0.0011","11.0409","0.0011","117.583","0.002","107.719","0.002","91.208","0.002","1011.74","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 Br N O -","- C23 H26 Br N O -","- C46 H52 Br2 N2 O2 -","2","1","","Kong, Lingkai; Shao, Yushang; Li, Yanli; Liu, Yuanyuan; Li, Yanzhong","LDA-Promoted Synthesis of 3-Amino Furans by Selective Lithiation of Enaminones.","The Journal of organic chemistry","2015","80","24","12641","12645","10.1021/acs.joc.5b02211","","","0.71073","MoKα","","0.0442","0.0362","","","0.0895","0.0935","","","","","","1.063","","","","has coordinates","234771","2020-10-21","18:00:00",""
"4036496","18.1196","0.001","10.6097","0.0006","16.4832","0.0009","90","","109.519","0.001","90","","2986.7","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C160 H120 N8 O24 -","8","1","","Lvov, Andrey G.; Shirinian, Valerii Z.; Zakharov, Alexey V.; Krayushkin, Mikhail M.; Kachala, Vadim V.; Zavarzin, Igor V.","General Photoinduced Sequential Electrocyclization/[1,9]-Sigmatropic Rearrangement/Ring-Opening Reaction of Diarylethenes.","The Journal of organic chemistry","2015","80","22","11491","11500","10.1021/acs.joc.5b02237","","","0.71073","MoKα","","0.0515","0.0417","","","0.1052","0.114","","","","","","1.038","","","","has coordinates","234773","2020-10-21","18:00:00",""
"4036497","8.7176","0.0007","8.9415","0.0011","11.6509","0.0009","80.906","0.002","68.2812","0.0014","68.3448","0.0013","783.91","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N O S -","- C21 H17 N O S -","- C42 H34 N2 O2 S2 -","2","1","","Lvov, Andrey G.; Shirinian, Valerii Z.; Zakharov, Alexey V.; Krayushkin, Mikhail M.; Kachala, Vadim V.; Zavarzin, Igor V.","General Photoinduced Sequential Electrocyclization/[1,9]-Sigmatropic Rearrangement/Ring-Opening Reaction of Diarylethenes.","The Journal of organic chemistry","2015","80","22","11491","11500","10.1021/acs.joc.5b02237","","","0.71073","MoKα","","0.0701","0.0565","","","0.1311","0.1401","","","","","","1.031","","","","has coordinates,has disorder","234774","2020-10-21","18:00:00",""
"4036498","14.4818","0.0007","8.7184","0.0004","23.3607","0.0011","90","","107.755","0.005","90","","2809","0.2","293.33","0.1","293.33","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H27 Br F N O5 -","- C30 H27 Br F N2 O4 -","- C120 H108 Br4 F4 N8 O16 -","4","2","","Liu, Xihong; Zhang, Jinlong; Zhao, Long; Ma, Shixiong; Yang, Dongxu; Yan, Wenjin; Wang, Rui","Construction of Vicinal Tetrasubstituted Stereocenters with a C-F Bond through a Catalytic Enantioselective Detrifluoroacetylative Mannich Reaction.","The Journal of organic chemistry","2015","80","24","12651","12658","10.1021/acs.joc.5b02238","","x-ray","0.71073","MoKα","","0.1663","0.0589","","","0.111","0.1663","","","","","","0.884","","","","has coordinates,has disorder","234776","2020-10-21","18:00:00",""
"4036499","9.5256","0.0007","9.8263","0.001","14.0527","0.0011","90","","90","","90","","1315.35","0.19","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br N O3 -","- C13 H12 Br N O3 -","- C52 H48 Br4 N4 O12 -","4","1","","Chen, Lin; Wu, Zhi-Jun; Zhang, Ming-Liang; Yue, Deng-Feng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael/Cyclization Cascade Reactions of 3-Hydroxyoxindoles/3-Aminooxindoles with α,β-Unsaturated Acyl Phosphonates for the Construction of Spirocyclic Oxindole-γ-lactones/lactams.","The Journal of organic chemistry","2015","80","24","12668","12675","10.1021/acs.joc.5b02253","","","0.71073","MoKα","","0.1078","0.059","","","0.1325","0.1715","","","","","","1.083","","","","has coordinates","234778","2020-10-21","18:00:00",""
"4036500","6.1038","0.0009","16.2799","0.0019","19.802","0.003","86.77","0.011","89.29","0.014","80.555","0.017","1937.9","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N3 O3 -","- C24 H17 N3 O3 -","- C96 H68 N12 O12 -","4","2","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(OAc)2-Catalyzed, AgOAc-Promoted Z Selective Directed β-Arylation of Acrylamide Systems and Stereoselective Construction of Z-Cinnamamide Scaffolds.","The Journal of organic chemistry","2015","80","24","12379","12396","10.1021/acs.joc.5b02264","","","0.71075","MoKα","","0.1731","0.1155","","","0.3524","0.4024","","","","","","1.163","","","","has coordinates","234780","2020-10-21","18:00:00",""
"4036501","12.6317","0.0013","15.1405","0.0016","7.116","0.0008","90","","94.535","0.005","90","","1356.7","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F N3 O -","- C17 H12 F N3 O -","- C68 H48 F4 N12 O4 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(OAc)2-Catalyzed, AgOAc-Promoted Z Selective Directed β-Arylation of Acrylamide Systems and Stereoselective Construction of Z-Cinnamamide Scaffolds.","The Journal of organic chemistry","2015","80","24","12379","12396","10.1021/acs.joc.5b02264","","","0.71073","MoKα","","0.1627","0.094","","","0.2348","0.3668","","","","","","1.182","","","","has coordinates","234781","2020-10-21","18:00:00",""
"4036502","14.805","0.011","6.314","0.004","25.22","0.02","90","","98.032","0.011","90","","2334","3","293","2","293","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C104 H64 Cl8 N24 O8 -","8","1","","Anand, Devireddy; Patel, Om P. S.; Maurya, Rahul K.; Kant, Ruchir; Yadav, Prem P.","Substrate Controlled Synthesis of Benzisoxazole and Benzisothiazole Derivatives via PhI(OAc)2-Mediated Oxidation Followed by Intramolecular Oxidative O-N/S-N Bond Formation.","The Journal of organic chemistry","2015","80","24","12410","12419","10.1021/acs.joc.5b02276","","","0.71075","MoKα","","0.1676","0.0873","","","0.1863","0.2369","","","","","","0.728","","","","has coordinates","234782","2020-10-21","18:00:00",""
"4036503","12.5612","0.0007","7.0515","0.0003","15.0777","0.0008","90","","109.371","0.006","90","","1259.91","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Cindro, Nikola; Antol, Ivana; Mlinarić-Majerski, Kata; Halasz, Ivan; Wan, Peter; Basarić, Nikola","Reactivity of Cations and Zwitterions Formed in Photochemical and Acid-Catalyzed Reactions from m-Hydroxycycloalkyl-Substituted Phenol Derivatives.","The Journal of organic chemistry","2015","80","24","12420","12430","10.1021/acs.joc.5b02297","","","0.71073","MoKα","","0.2274","0.0825","","","0.2152","0.2643","","","","","","0.738","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036504","6.5381","0.0001","16.2344","0.0002","13.3793","0.0002","90","","100.433","0.001","90","","1396.63","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Cindro, Nikola; Antol, Ivana; Mlinarić-Majerski, Kata; Halasz, Ivan; Wan, Peter; Basarić, Nikola","Reactivity of Cations and Zwitterions Formed in Photochemical and Acid-Catalyzed Reactions from m-Hydroxycycloalkyl-Substituted Phenol Derivatives.","The Journal of organic chemistry","2015","80","24","12420","12430","10.1021/acs.joc.5b02297","","","1.54184","CuKα","","0.048","0.0465","","","0.1233","0.1247","","","","","","1.038","","","","has coordinates","234785","2020-10-21","18:00:00",""
"4036505","8.3623","0.0005","9.5799","0.0005","10.5979","0.0006","103.936","0.005","91.136","0.005","111.334","0.005","762.1","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O3 -","- C13 H14 N6 O3 -","- C26 H28 N12 O6 -","2","1","","Erhardt, Hellmuth; Häring, Andreas P; Kotthaus, Andreas; Roggel, Markus; Tong, My Linh; Biallas, Phillip; Jübermann, Martin; Mohr, Fabian; Kirsch, Stefan F.","Geminal Diazides Derived from 1,3-Dicarbonyls: A Protocol for Synthesis.","The Journal of organic chemistry","2015","80","24","12460","12469","10.1021/acs.joc.5b02328","","x-ray","0.71073","MoKα","","0.0562","0.0412","","","0.0929","0.1015","","","","","","1.032","","","","has coordinates","234786","2020-10-21","18:00:00",""
"4036510","8.3426","0.0003","7.7556","0.0003","30.44","0.001","90","","93.011","0.002","90","","1966.81","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-iodo-5-phenyl-2-(3,4,5-trimethoxybenzoyl)selenophene","(4-iodo-5-phenylselenophene-2yl)(3,4,5-trimethoxybenzoyl)methanone","","- C20 H17 I O4 Se -","- C20 H17 I O4 Se -","- C80 H68 I4 O16 Se4 -","4","1","","Roehrs, Juliano A.; Pistoia, Renan P.; Back, Davi F.; Zeni, Gilson","Diorganyl Dichalcogenides-Promoted Nucleophilic Closure of 1,4-Diyn-3-ols: Synthesis of 2-Benzoyl Chalcogenophenes.","The Journal of organic chemistry","2015","80","24","12470","12481","10.1021/acs.joc.5b02334","","","0.71073","MoKα","","0.0509","0.0401","","","0.104","0.1185","","","","","","1.218","","","","has coordinates","234794","2020-10-21","18:00:00",""
"4036514","32.979","0.013","5.836","0.002","23.108","0.009","90","","105.586","0.003","90","","4284","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F3 N O -","- C26 H18 F3 N O -","- C208 H144 F24 N8 O8 -","8","1","","Wang, Bin; Chen, Ying; Zhou, Ling; Wang, Jianwu; Tung, Chen-Ho; Xu, Zhenghu","Synthesis of Oxazoles by Tandem Cycloisomerization/Allylic Alkylation of Propargyl Amides with Allylic Alcohols: Zn(OTf)2 as π Acid and σ Acid Catalyst.","The Journal of organic chemistry","2015","80","24","12718","12724","10.1021/acs.joc.5b02382","","","0.71073","MoKα","","0.1204","0.0636","","","0.156","0.1938","","","","","","1.022","","","","has coordinates","234801","2020-10-21","18:00:00",""
"4037611","9.6295","0.0004","11.0331","0.0004","15.6854","0.0005","90","","90","","90","","1666.47","0.11","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C76 H64 N8 O8 S4 -","4","1","","Zhang, Duo; Cui, Xiuling; Zhang, Qianqian; Wu, Yangjie","Pd-catalyzed direct C-H bond sulfonylation of azobenzenes with arylsulfonyl chlorides.","The Journal of organic chemistry","2015","80","3","1517","1522","10.1021/jo502451k","","","1.54184","CuKα","","0.0428","0.038","","","0.0956","0.1005","","","","","","1.04","","","","has coordinates","243450","2020-10-21","18:00:00",""