# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-18T12:27:33+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 'Journal of Organic Chemistry') AND volume = 71 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
"4021341","36.105","0.002","9.575","0.0006","24.62","0.002","90","","118.32","0.003","90","","7492.6","0.9","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 N4 O8 -","- C42 H44 N4 O8 -","- C336 H352 N32 O64 -","8","1","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.1912","0.0733","","","0.1092","0.1375","","","","","","1.094","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021342","27.5075","0.0005","7.0079","0.0002","18.2798","0.0004","90","","106.701","0.002","90","","3375.15","0.14","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 F6 O3 -","- C18 H18 F6 O3 -","- C144 H144 F48 O24 -","8","1","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.0967","0.0433","","","0.0864","0.1035","","","","","","1.008","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021343","8.6062","0.0001","13.2352","0.0002","17.0519","0.0003","110.104","0.001","94.328","0.001","90.126","0.001","1817.93","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 F6 O3 -","- C18 H20 F6 O3 -","- C72 H80 F24 O12 -","4","2","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.0885","0.0478","","","0.1003","0.1132","","","","","","1.099","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021344","6.7177","0.0002","23.6978","0.0006","8.5574","0.0002","90","","96.05","0.002","90","","1354.71","0.06","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 F6 O4 -","- C11 H16 F6 O4 -","- C44 H64 F24 O16 -","4","1","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.0747","0.0431","","","0.0968","0.1115","","","","","","1.01","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021345","6.6091","0.0005","14.7078","0.0011","18.1937","0.0015","87.77","0.003","87.23","0.003","87.682","0.003","1763.8","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 F6 O3 -","- C18 H20 F6 O3 -","- C72 H80 F24 O12 -","4","2","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.3533","0.0983","","","0.1423","0.1925","","","","","","1.134","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021346","15.527","0.002","6.0758","0.0008","20.691","0.003","90","","90","","90","","1952","0.4","193","2","193","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C96 H96 O16 -","8","2","","Fuye Gao; D. Jean Burnell","Reactions of 1,2-Bis(trimethylsilyloxy)cycloalkenes with the Diethyl Acetals of Aldehydes","Journal of Organic Chemistry","2006","71","","356","359","10.1021/jo051683+","","","0.71073","MoKα","","0.1009","0.0903","","","0.2068","0.2233","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021347","9.429","0.0004","11.28","0.0004","11.758","0.0005","93.023","0.002","111.262","0.002","98.409","0.002","1145.3","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4,5-Dimethyl-cyclohexa-1,4-dienylmethyl)-4-methyl- N-(3-phenyl-prop-2-ynyl)-benzenesulfonamide","","- C25 H17 N O2 S -","- C12.5 H13.5 N0.5 O S0.5 -","- C50 H54 N2 O4 S2 -","4","2","","Sang Ick Lee; Se Yeoun Park; Ji Hoon Park; Il Gu Jung; Soo Young Choi; Young Keun Chung; Bun Yeoul Lee","Rhodium N-Heterocyclic Carbene-Catalyzed [4 + 2] and [5 + 2] Cycloaddition Reactions","Journal of Organic Chemistry","2006","71","","91","96","10.1021/jo051685u","","","0.71073","MoKα","","0.0714","0.0572","","","0.1639","0.181","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021348","5.5387","0.0003","8.7402","0.0006","22.2973","0.0013","90","","92.618","0.003","90","","1078.27","0.11","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-Phenyl-1,3,3a,6-tetrahydro-isobenzofuran","","- C14 H14 O -","- C14 H14 O -","- C56 H56 O4 -","4","1","","Sang Ick Lee; Se Yeoun Park; Ji Hoon Park; Il Gu Jung; Soo Young Choi; Young Keun Chung; Bun Yeoul Lee","Rhodium N-Heterocyclic Carbene-Catalyzed [4 + 2] and [5 + 2] Cycloaddition Reactions","Journal of Organic Chemistry","2006","71","","91","96","10.1021/jo051685u","","","0.71073","MoKα","","0.1167","0.0557","","","0.1127","0.146","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021349","16.8738","0.0003","10.5374","0.0003","38.3162","0.0009","90","","102.124","0.001","90","","6660.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Cl N2 Rh -","- C35 H48 Cl N2 Rh -","- C280 H384 Cl8 N16 Rh8 -","8","2","","Sang Ick Lee; Se Yeoun Park; Ji Hoon Park; Il Gu Jung; Soo Young Choi; Young Keun Chung; Bun Yeoul Lee","Rhodium N-Heterocyclic Carbene-Catalyzed [4 + 2] and [5 + 2] Cycloaddition Reactions","Journal of Organic Chemistry","2006","71","","91","96","10.1021/jo051685u","","","0.71073","MoKα","","0.1314","0.055","","","0.1092","0.1344","","","","","","1.025","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021350","7.9161","0.0007","14.7653","0.0013","14.1615","0.0013","90","","97.593","0.002","90","","1640.7","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[(2S,3S methyl), 2-[2'-benzyloxy-1'R-tert-butyl silyloxyl)ethyl]pentanoyl] borane-10,2-sultam","","- C31 H51 N O5 S Si -","- C31 H51 N O5 S Si -","- C62 H102 N2 O10 S2 Si2 -","2","1","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0523","0.0469","","","0.1108","0.1149","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021351","18.3556","0.0013","11.4102","0.0008","11.9476","0.0009","90","","90","","90","","2502.3","0.3","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N-[(2R,3S methyl),2-[(2'-benzyloxyl-1'S-hydroxyl) ethyl]pentanoyl] borane-10,2-sultam","","- C25 H37 N O5 S -","- C25 H37 N O5 S -","- C100 H148 N4 O20 S4 -","4","1","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0758","0.0584","","","0.1399","0.1514","","","","","","1.049","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021352","11.1859","0.0009","18.5274","0.0015","12.1749","0.001","90","","103.256","0.001","90","","2456","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[(2R)-2-[2'-benzyloxy-1'R-hydroxy)ethy]pentanoyl]borane-10,2-sultam","","- C24 H35 N O5 S -","- C24 H35 N O5 S -","- C96 H140 N4 O20 S4 -","4","2","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0832","0.0577","","","0.1463","0.1703","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021353","12.9853","0.0009","14.5042","0.0013","23.877","0.0018","91.64","0.01","100.62","0.01","111.35","0.01","4094.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H92 Cl6 D2 O7 -","- C93 H92 Cl6 D2 O7 -","- C186 H184 Cl12 D4 O14 -","2","1","","Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Convergent Synthesis of 10 nm Aryleneethynylene Molecular Wires by an Iterative Regioselective Deprotection/Sonogashira Coupling Protocol","Journal of Organic Chemistry","2006","71","","108","116","10.1021/jo051711o","","","0.71073","MoKα","","0.0885","0.0486","","","0.1163","0.1331","","","","","","0.96","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021354","10.2438","0.0014","18.815","0.003","10.9543","0.0011","90","","108.041","0.007","90","","2007.5","0.5","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 B F4 N3 O2 -","- C23 H18 B F4 N3 O2 -","- C92 H72 B4 F16 N12 O8 -","4","1","","Shin-ichi Naya; Hiroshi Ohtoshi; Makoto Nitta","Synthesis, Properties, and Oxidizing Ability of Areno-Annulated 1,3-Dimethyl-10-phenylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions","Journal of Organic Chemistry","2006","71","","176","184","10.1021/jo051777j","","","0.71075","MoKα","","","0.0458","","","","0.0618","","","","","","1.471","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021355","9.308","0.004","11.827","0.005","18.955","0.009","90","","104.258","0.017","90","","2022.6","1.5","123.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 B F4 N3 O2 -","- C23 H18 B F4 N3 O2 -","- C92 H72 B4 F16 N12 O8 -","4","1","","Shin-ichi Naya; Hiroshi Ohtoshi; Makoto Nitta","Synthesis, Properties, and Oxidizing Ability of Areno-Annulated 1,3-Dimethyl-10-phenylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions","Journal of Organic Chemistry","2006","71","","176","184","10.1021/jo051777j","","","0.71075","MoKα","","","0.0471","","","","0.0859","","","","","","1.206","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021356","21.577","0.004","7.3939","0.0015","15.952","0.003","90","","90","","90","","2545","0.9","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H15 N2 O2 S2 -","- C11 H15 N2 O2 S2 -","- C88 H120 N16 O16 S16 -","8","1","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.2173","0.0757","","","0.1437","0.1974","","","","","","0.961","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021357","14.071","0.003","10.969","0.002","16.968","0.003","90","","107.87","0.03","90","","2492.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O S2 -","- C12 H12 N2 O S2 -","- C96 H96 N16 O8 S16 -","8","2","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.0702","0.0377","","","0.1019","0.1297","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021358","16.084","0.003","4.545","0.0009","19.622","0.004","90","","97.97","0.03","90","","1420.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br N2 O S2 -","- C12 H11 Br N2 O S2 -","- C48 H44 Br4 N8 O4 S8 -","4","1","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.0684","0.0521","","","0.111","0.1181","","","","","","1.138","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021359","9.4553","0.0019","12.363","0.003","14.484","0.003","90","","93.16","0.03","90","","1690.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.1162","0.0962","","","0.2263","0.2391","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021360","10.9634","0.0007","11.7048","0.0007","22.9688","0.0014","88.899","0.001","89.097","0.001","82.005","0.001","2918","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","N-(3-tert-butylphenyl)anthranilic acid","N-(3-tert-butylphenyl)anthranilic acid","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","4","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0953","0.0577","","","0.1745","0.1964","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021361","10.5769","0.0016","11.4108","0.0017","14.162","0.002","80.856","0.003","82.334","0.003","84.982","0.003","1668.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","anthranilic acid 19","N-[3-(3',5'-dimethylbiphenyl)]anthranilic acid","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","2","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0611","0.04","","","0.097","0.1031","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021362","11.7804","0.0016","7.4503","0.001","26.627","0.003","90","","100.168","0.002","90","","2300.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-2-methylphenylanthranilic acid","N-2-methylphenylanthranilic acid","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0941","0.0483","","","0.1286","0.1409","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021363","7.4585","0.001","7.5891","0.001","13.6653","0.0019","79.998","0.002","85.875","0.002","62.141","0.002","673.42","0.16","183","2","183","2","","","","","","","","4","P -1","-P 1","2","N-2-isopropylphenylanthranilic acid","N-2-isopropylphenylanthranilic acid","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0779","0.0462","","","0.1125","0.1228","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021364","7.4748","0.0012","9.3856","0.0015","11.0319","0.0017","106.582","0.003","91.207","0.003","99.212","0.003","730.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","N-(2-tert-butylphenyl)anthranilic acid","N-(2-tert-butylphenyl)anthranilic acid","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C34 H38 N2 O4 -","2","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0626","0.0414","","","0.1002","0.1073","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021365","5.7231","0.0008","17.929","0.002","14.43","0.0019","90","","101.064","0.002","90","","1453.2","0.3","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-2-biphenylanthranilic acid","N-2-biphenylanthranilic acid","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0807","0.0463","","","0.103","0.1127","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021366","4.6299","0.0014","8.332","0.002","15.336","0.004","98.466","0.004","92.198","0.004","101.337","0.004","572.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","N-(3-methylphenyl)anthranilic acid","N-(3-methylphenyl)anthranilic acid","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0518","0.038","","","0.1044","0.1107","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021367","10.0907","0.0002","5.1112","0.0002","17.8226","0.0008","90","","99.626","0.002","90","","906.27","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Arnaud Salaün; Annaïck Favre; Barbara Le Grel; Michel Potel; Philippe Le Grel","Conformation of N^α^-Substituted Hydrazino Acetamides in CDCl~3~, he Precious Help of the Analysis of Δδ between Amidic Hydrogens, and Correlation to the Conformation of Aza-β^3^-peptides","Journal of Organic Chemistry","2006","71","","150","158","10.1021/jo051887q","","x-ray","0.71069","MoKα","","0.0825","0.0553","","","0.1507","0.1692","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021368","10.4776","0.0003","9.7596","0.0003","15.2755","0.0007","90","","100.328","0.001","90","","1536.72","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N3 O3 -","- C14 H21 N3 O3 -","- C56 H84 N12 O12 -","4","1","","Arnaud Salaün; Annaïck Favre; Barbara Le Grel; Michel Potel; Philippe Le Grel","Conformation of N^α^-Substituted Hydrazino Acetamides in CDCl~3~, he Precious Help of the Analysis of Δδ between Amidic Hydrogens, and Correlation to the Conformation of Aza-β^3^-peptides","Journal of Organic Chemistry","2006","71","","150","158","10.1021/jo051887q","","x-ray","0.71069","MoKα","","0.1074","0.0542","","","0.1451","0.175","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021369","31.737","0.002","7.5162","0.0007","8.4847","0.0005","90","","92.053","0.005","90","","2022.7","0.3","298","","298","","","","","","","","Synthesis","3","C 1 c 1","C -2yc","9","","(1R,3aS,4R,6aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-ol","","- C22 H26 O7 -","- C22 H26 O7 -","- C88 H104 O28 -","4","1","","Manat Pohmakotr; Attapol Pinsa; Tipwan Mophuang; Patoomratana Tuchinda; Samran Prabpai; Palangpon Kongsaeree; Vichai Reutrakul","General Strategy for Stereoselective Synthesis of 1-Substituted Exo,Endo-2,6-Diaryl-3,7-dioxabicyclo[3.3.0]octanes: Total Synthesis of (±)-Gmelinol","Journal of Organic Chemistry","2006","71","","386","389","10.1021/jo0519110","","x-ray","0.71073","MoKα","","0.0571","0.0506","","","0.1283","0.1347","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021370","24.918","0.0007","11.7246","0.0004","10.9364","0.0003","90","","101.1","0.002","90","","3135.3","0.2","298","","298","","","","","","","","Synthesis","3","P 1 21/c 1","-P 2ybc","14","","(3R,3aS,6R,6aS)-3a-methyl-3,6-diphenyl-tetrahydrofuro[3,4-c]furan-1,4-dione","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","2","","Manat Pohmakotr; Attapol Pinsa; Tipwan Mophuang; Patoomratana Tuchinda; Samran Prabpai; Palangpon Kongsaeree; Vichai Reutrakul","General Strategy for Stereoselective Synthesis of 1-Substituted Exo,Endo-2,6-Diaryl-3,7-dioxabicyclo[3.3.0]octanes: Total Synthesis of (±)-Gmelinol","Journal of Organic Chemistry","2006","71","","386","389","10.1021/jo0519110","","x-ray","0.71073","MoKα","","0.0567","0.0439","","","0.1024","0.112","","","","","","1.073","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021371","6.3437","0.0017","6.455","0.0018","10.061","0.003","90","","98.465","0.004","90","","407.52","0.19","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","0.5","","Cheol-Min Park","Concise Synthesis of 3,7-Dioxa-9-aza-bicyclo[3,3,1]-nonane","Journal of Organic Chemistry","2006","71","","413","415","10.1021/jo051982z","","","0.71073","MoKα","","0.0476","0.0445","","","0.1123","0.1145","","","","","","1.118","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021372","8.1482","0.0004","18.4592","0.0008","12.9869","0.0006","90","","90.621","0.001","90","","1953.24","0.16","87","2","87","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C17 H21 Cl N4 Pd, 0.5 (CH2 Cl2)","","","- C17.5 H22 Cl2 N4 Pd -","- C17.5 H22 Cl2 N4 Pd -","- C70 H88 Cl8 N16 Pd4 -","4","1","","Ruihu Wang; Brendan Twamley; Jean'ne M. Shreeve","A Highly Efficient, Recyclable Catalyst for C-C Coupling Reactions in Ionic Liquids: Pyrazolyl-Functionalized N-Heterocyclic Carbene Complex of Palladium(II)","Journal of Organic Chemistry","2006","71","","426","429","10.1021/jo052098b","","","0.71073","MoKα","","0.0302","0.0293","","","0.0628","0.0633","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021373","12.0701","0.0009","13.9385","0.0011","21.0391","0.0016","90","","90","","90","","3539.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B2 F8 N2 O2 -","- C14 H18 B2 F8 N2 O2 -","- C112 H144 B16 F64 N16 O16 -","8","1","","Dong Zhang; Eric J. Dufek; Edward L. Clennan","Syntheses, Characterizations, and Properties of Electronically Perturbed 1,1'-Dimethyl-2,2'-bipyridinium Tetrafluoroborates","Journal of Organic Chemistry","2006","71","","315","319","10.1021/jo052127i","","","0.71073","MoKα","","0.0747","0.0448","","","0.108","0.1233","","","","","","1.068","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021374","8.7605","0.0006","20.4423","0.0013","21.1253","0.0014","90","","91.634","0.002","90","","3781.7","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H37 N3 O -","- C49 H37 N3 O -","- C196 H148 N12 O4 -","4","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.1867","0.1262","","","0.3143","0.3473","","","","","","1.183","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021375","25.7376","0.0004","11.1794","0.0002","37.1441","0.0006","90","","90","","90","","10687.5","0.3","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H54 Cl3 N5 O3 -","- C63 H54 Cl3 N5 O3 -","- C504 H432 Cl24 N40 O24 -","8","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.1212","0.0846","","","0.2534","0.2739","","","","","","1.105","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021376","16.5804","0.0008","34.0887","0.0017","8.9389","0.0004","90","","99.074","0.002","90","","4989.1","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 Cl2 N4 O -","- C62 H48 Cl2 N4 O -","- C248 H192 Cl8 N16 O4 -","4","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.201","0.1327","","","0.3006","0.3414","","","","","","1.12","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021377","13.7668","0.0001","27.0773","0.0003","20.0217","0.0002","90","","105.051","0.001","90","","7207.41","0.12","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78.5 H70 Cl5 N6 O2 -","- C78.5 H70 Cl5 N6 O2 -","- C314 H280 Cl20 N24 O8 -","4","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.1169","0.0943","","","0.2759","0.3001","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021378","15.8732","0.0003","13.5038","0.0003","16.9982","0.0003","90","","99.468","0.002","90","","3593.9","0.1","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C180 H144 N24 O12 -","12","3","","Pavel Hradil; Martin Grepl; Jan Hlaváč; Miroslav Soural; Michal Maloň; Valerio Bertolasi","Some New Routes for the Preparation of 3-Amino-2-phenyl- 4(1H)-quinolinones from Anthranilamides","Journal of Organic Chemistry","2006","71","","819","822","10.1021/jo051303k","","","0.71073","MoKα","","0.1226","0.0593","","","0.1364","0.1707","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021379","11.5028","0.0007","11.8189","0.0007","17.361","0.001","103.029","0.001","98.366","0.001","112.792","0.001","2047.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,5-di-t-butylphenalenium perfluorotetraphenylborate","","- C45 H25 B F20 -","- C45 H25 B F20 -","- C90 H50 B2 F40 -","2","1","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.0976","0.0555","","0.1683","0.1371","","","","1.01","1.101","1.101","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021380","15.4353","0.0012","10.5395","0.0007","21.014","0.002","90","","90","","90","","3418.6","0.4","123","2","123","2","","","","","","","synthesis","2","P b c n","-P 2n 2ab","60","","2,5-ditertbutylphenalene""","","- C21 H26 -","- C21 H25 -","- C168 H200 -","8","1","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.1115","0.0734","","0.2253","0.1872","","","","1.003","1.061","1.061","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021381","14.6171","0.001","15.4337","0.0012","17.8177","0.0014","90","","92.162","0.002","90","","4016.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DBPhen B(C6F5)4","1,5-Di-tert-butyl-phenalenyl tetrakis(pentafluorophenyl)borate","","- C45 H25 B F20 -","- C45 H25 B F20 -","- C180 H100 B4 F80 -","4","1","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.1507","0.0519","","","0.0924","0.1212","","","","","","0.857","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021382","11.9777","0.0009","15.4966","0.0012","11.5901","0.0009","90","","113.023","0.002","90","","1979.9","0.3","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-bis(3,8-di-t-butylphenalen-1-ylidene)etane","","- C46 H54 Cl4 -","- C45.72 H53.44 Cl3.44 -","- C91.44 H106.88 Cl6.88 -","2","0.5","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.2162","0.0879","","0.2747","0.1949","","","","1.017","1.183","1.183","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021383","32.809","0.01","9.945","0.003","8.492","0.003","90","","104.72","0.006","90","","2679.9","1.4","88","2","88","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C52 H78 O11 -","- C52 H78 O11 -","- C104 H156 O22 -","2","0.5","","Maya I. Mitova; Gerhard Lang; John W. Blunt; Nicholas J. Cummings; Anthony L. J. Cole; Ward T. Robinson; Murray H. G. Munro","Cladobotric Acids A-F: New Cytotoxic Polyketides from a New Zealand Cladobotryum sp.","Journal of Organic Chemistry","2006","71","","492","497","10.1021/jo051883l","","","0.71073","MoKα","","0.0907","0.0618","","","0.1501","0.1611","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021384","34.413","0.005","8.5331","0.0012","10.0467","0.0015","90","","90.13","0.02","90","","2950.2","0.8","87","2","87","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H41 Br O4 -","- C33 H41 Br O4 -","- C132 H164 Br4 O16 -","4","2","","Maya I. Mitova; Gerhard Lang; John W. Blunt; Nicholas J. Cummings; Anthony L. J. Cole; Ward T. Robinson; Murray H. G. Munro","Cladobotric Acids A-F: New Cytotoxic Polyketides from a New Zealand Cladobotryum sp.","Journal of Organic Chemistry","2006","71","","492","497","10.1021/jo051883l","","","0.71073","MoKα","","0.0925","0.0861","","","0.2279","0.2331","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021385","16.1127","0.0006","9.9911","0.0006","25.7335","0.0011","90","","96.862","0.003","90","","4113","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C47 H62 O6 -","- C47 H62 O6 -","- C188 H248 O24 -","4","1","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.1165","0.0677","","","0.1656","0.2003","","","","","","0.996","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021386","13.5059","0.0005","20.4824","0.0007","20.9212","0.0009","61.89","0.002","87.258","0.002","89.082","0.002","5098.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49.5 H69 Cl3 O7.5 -","- C49.5 H66.5 Cl3 O7.5 -","- C198 H266 Cl12 O30 -","4","2","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.1165","0.0907","","","0.2398","0.2598","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021387","6.0627","0.0007","11.5013","0.0011","15.322","0.002","89.214","0.007","81.669","0.006","79.155","0.007","1038.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H64 O6 -","- C48 H64 O6 -","- C48 H64 O6 -","1","0.5","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.0948","0.0676","","","0.1622","0.1808","","","","","","1.048","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021388","9.7267","0.0017","21.884","0.004","19.784","0.003","90","","93.65","0.009","90","","4202.7","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 O6 -","- C48 H64 O6 -","- C192 H256 O24 -","4","1","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.2014","0.0847","","","0.1692","0.2234","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021389","30.6685","0.0018","14.3273","0.0005","23.3049","0.0013","90","","117.988","0.003","90","","9042.5","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H68 O6 -","- C50 H68 O6 -","- C400 H544 O48 -","8","1","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.0819","0.0543","","","0.1557","0.1735","","","","","","1.019","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021390","13.5929","0.0012","9.3211","0.0007","17.7157","0.0011","90","","106.728","0.005","90","","2149.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H66 O6 -","- C49 H65 O6 -","- C98 H130 O12 -","2","0.5","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.1285","0.0928","","","0.2114","0.2354","","","","","","0.991","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021391","12.3588","0.0013","14.3481","0.0016","7.4226","0.0008","90","","90","","90","","1316.2","0.2","90","2","90","2","","","","","","","","2","P n a 21","P 2c -2n","33","2'-methyl-p-terphenyl","","","- C19 H16 -","- C19 H16 -","- C76 H64 -","4","1","","Michael E. Garst; Lloyd J. Dolby; Shervin Esfandiari; Rachel A. Okrent; Alfred A. Avey","Studies of the Condensation of Sulfones with Ketones and Aldehydes","Journal of Organic Chemistry","2006","71","","553","556","10.1021/jo051947s","","","0.71073","MoKα","","0.0943","0.0658","","","0.1658","0.1879","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021392","19.959","0.003","9.1373","0.0002","12.091","0.002","90","","110.024","0.009","90","","2071.8","0.5","91","2","91","2","","","","","","","","5","C 1 c 1","C -2yc","9","Compound 14","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C96 H100 N4 O12 S4 -","4","1","","Michael E. Garst; Lloyd J. Dolby; Shervin Esfandiari; Rachel A. Okrent; Alfred A. Avey","Studies of the Condensation of Sulfones with Ketones and Aldehydes","Journal of Organic Chemistry","2006","71","","553","556","10.1021/jo051947s","","","0.71073","MoKα","","0.0399","0.0369","","","0.0935","0.0957","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021393","13.5041","0.0017","6.7097","0.0007","14.271","0.004","90","","109.973","0.014","90","","1215.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 2,6-dimethylcyclohexanone-2,6-bis(diazeniumdiolate), Compound 15b","","- C8 H12 K2 N4 O5 -","- C8 H12 K2 N4 O5 -","- C32 H48 K8 N16 O20 -","4","1","","Navamoney Arulsamy; D. Scott Bohle","Synthesis of Diazeniumdiolates from the Reactions of Nitric Oxide with Enolates","Journal of Organic Chemistry","2006","71","","572","581","10.1021/jo051998p","","","0.71073","MoKα","","0.0404","0.0335","","","0.0896","0.0958","","","","","","1.078","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021394","9.906","0.007","13.089","0.009","13.69","0.009","102.783","0.014","92.301","0.014","97.012","0.014","1714","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","2","","Scott E. Denmark; Ramil Y. Baiazitov","Tandem Double-Intramolecular [4+2]/[3+2] Cycloadditions of Nitroalkenes. Studies toward a Total Synthesis of Daphnilactone B: Piperidine Ring Construction","Journal of Organic Chemistry","2006","71","","593","605","10.1021/jo052001l","","","0.71073","MoKα","","0.1292","0.0566","","","0.1314","0.157","","","","","","0.921","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021395","13.878","0.003","5.461","0.003","21.321","0.002","90","","94.71","0.01","90","","1610.6","0.8","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Shin-ya Tanaka; Makoto Yasuda; Akio Baba","Practical and Simple Synthesis of Substituted Quinolines by an HCl-DMSO System on a Large Scale: Remarkable Effect of the Chloride Ion","Journal of Organic Chemistry","2006","71","","800","803","10.1021/jo052004y","","","0.7107","MoKα","","","0.0537","","","","0.2393","","","","","","1.542","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021396","13.787","0.0004","13.787","0.0004","41.256","0.0012","90","","90","","90","","7842","0.4","296.1","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","(R)-1-phenylethylammonium_(Sp)-O-ethyl phenylphosphonothioate_water","","","- C16 H24 N O3 P S -","- C16 H22 N O3 P S -","- C256 H352 N16 O48 P16 S16 -","16","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.049","","","","0.06","","","","","","0.827","","","","has coordinates","203893","2020-10-21","18:00:00",""
"4021397","6.441","0.0004","17.186","0.0013","18.27","0.002","90","","90","","90","","2022.4","0.3","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-ethylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H26 N O2 P S -","- C72 H104 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.054","","","","0.06","","","","","","0.948","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021398","6.276","0.0013","13.692","0.003","23.935","0.009","90","","90","","90","","2056.8","1","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-isopropylphenyl)ethylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C19 H28 N O2 P S -","- C20 H30 N O2 P S -","- C80 H120 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.058","","","","0.094","","","","","","0.836","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021399","6.34","","17.728","","18.437","","90","","90","","90","","2072.24","","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-npronylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C22 H28 N O2 P S -","- C19 H28 N O2 P S -","- C76 H112 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.059","","","","0.089","","","","","","0.875","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021400","12.567","0.0012","6.515","0.0005","12.509","0.002","90","","111.143","0.004","90","","955.2","0.2","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(S)-1-(o-methylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C17 H24 N O3 P S -","- C17 H24 N O3 P S -","- C34 H48 N2 O6 P2 S2 -","2","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.049","","","","0.071","","","","","","0.679","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021401","6.771","0.0002","14.155","0.0006","20.307","0.0012","90","","90","","90","","1946.3","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-Naphthylethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C20 H24 N O2 P S -","- C20 H24 N O2 P S -","- C80 H96 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.05","","","","0.073","","","","","","0.71","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021402","7.517","0.0003","12.015","0.0007","21.89","0.002","90","","90","","90","","1977","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(S)-1-phenyl-2-methyl-propylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H26 N O2 P S -","- C72 H104 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.057","","","","0.078","","","","","","0.763","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021403","6.577","0.0005","14.56","0.0012","16.131","0.002","90","","90","","90","","1544.7","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-sec-butylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C12 H22 N O2 P S -","- C12 H22 N O2 P S -","- C48 H88 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.057","","","","0.083","","","","","","0.788","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021404","6.326","0.0005","15.311","0.002","24.416","0.003","90","","90","","90","","2364.9","0.4","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Rp)-O-ethyl phenylphosphonothioic acid & (1S,2R)-1-amino-1,2-diphenylethanol(ADPE)&H2O","","","- C22 H28 N O4 P S -","- C22 H28 N O4 P S -","- C88 H112 N4 O16 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.049","","","","0.054","","","","","","0.864","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021405","14.149","0.0008","14.149","0.0008","40.65","0.002","90","","90","","90","","8137.9","0.8","296.1","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(S)-1-(p-tolyl)ethylammonium_(Rp)-O-propyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H24.5 N O2 P S -","- C288 H392 N16 O32 P16 S16 -","16","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.053","","","","0.064","","","","","","1.192","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021406","14.562","0.004","6.387","0.001","21.495","0.009","90","","100.58","0.001","90","","1965.2","1.1","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(R)-1-phenylethylammonium_(Rp)-O-phenyl phenylphosphonothioate","","","- C20 H22 N O2 P S -","- C20 H22 N O2 P S -","- C80 H88 N4 O8 P4 S4 -","4","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.044","","","","0.048","","","","","","0.506","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021407","12.819","0.0013","6.417","0.0006","14.091","0.002","90","","112","0","90","","1074.7","0.2","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(S)-1-phenylethylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C20 H22 N O2 P S -","- C20 H22 N O2 P S -","- C40 H44 N2 O4 P2 S2 -","2","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.091","","","","0.122","","","","","","1.193","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021408","12.6406","0.0009","4.1678","0.0003","19.9399","0.0014","90","","98.164","0.001","90","","1039.86","0.13","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 O2 S -","- C3 H6 O2 S -","- C24 H48 O16 S8 -","8","2","","Mauricio F. Erben; Roland Boese; Carlos O. Della Védova; Heinz Oberhammer; Helge Willner","Toward an Intimate Understanding of the Structural Properties and Conformational Preference of Oxoesters and Thioesters: Gas and Crystal Structure and Conformational Analysis of Dimethyl Monothiocarbonate, CH~3~OC(O)SCH~3~","Journal of Organic Chemistry","2006","71","","616","622","10.1021/jo052026k","","","0.71073","MoKα","","0.0307","0.0265","","","0.0802","0.0841","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021409","8.006","0.0005","11.195","0.0008","13.082","0.0011","90","","100.242","0.003","90","","1153.82","0.15","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C22 H27 Br N2 O5 -","- C22 H27 Br N2 O5 -","- C44 H54 Br2 N4 O10 -","2","1","","Shoko Yamazaki; Yuko Iwata","Catalytic Enantioselective Friedel-Crafts/Michael Addition Reactions of Indoles to Ethenetricarboxylates","Journal of Organic Chemistry","2006","71","","739","743","10.1021/jo052041p","","","0.71073","MoKα","","0.0542","0.0478","","","0.1279","0.1351","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021410","13.246","0.008","14.373","0.008","22.504","0.01","74.127","0.018","82.513","0.016","87.621","0.019","4086","4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1,2-oxaphosphetane","","","- C19 H11 F12 O2 P -","- C19 H11 F12 O2 P -","- C152 H88 F96 O16 P8 -","8","4","","Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima","Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","659","670","10.1021/jo0520700","","","0.7107","MoKα","","0.082","0.0642","","","0.1377","0.1489","","","","","","1.069","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021411","10.691","0.003","12.257","0.004","19.324","0.007","102.894","0.006","90.004","0.005","91.278","0.005","2467.7","1.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1,2-oxastibetane","","","- C23 H19 F12 O2 Sb -","- C23 H19 F12 O2 Sb -","- C92 H76 F48 O8 Sb4 -","4","2","","Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima","Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","659","670","10.1021/jo0520700","","","0.7107","MoKα","","0.0619","0.0414","","","0.0623","0.0672","","","","","","1.097","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021412","18.148","0.003","9.7367","0.0015","36.418","0.007","90","","98.6","0.008","90","","6362.6","1.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-phenyl-1,2-oxastibetane","","","- C34 H28 F9 O2 Sb -","- C34 H28 F9 O2 Sb -","- C272 H224 F72 O16 Sb8 -","8","1","","Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima","Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","659","670","10.1021/jo0520700","","","0.7107","MoKα","","0.1016","0.096","","","0.1779","0.1799","","","","","","1.427","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021413","7.215","0.001","11.234","0.001","14.473","0.001","84.09","0.01","88.61","0.01","87.87","0.01","1165.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","biphenyl","3-methylsulfanyl-biphenyl-4-carboxylic acid","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","2","","Atul Goel; Deepti Verma; Manish Dixit; Resmi Raghunandan; P. R. Maulik","Acetyltrimethylsilane: A Novel Reagent for the Transformation of 2H-Pyran-2-ones to Unsymmetrical Biaryls","Journal of Organic Chemistry","2006","71","","804","807","10.1021/jo052085y","","","0.71073","MoKα","","0.0707","0.0455","","","0.1063","0.1217","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021414","22.661","0.004","14.466","0.0018","13.077","0.006","90","","102.33","0.03","90","","4188","2","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O3 -","- C24 H22 N4 O3 -","- C192 H176 N32 O24 -","8","2","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Chromogenic Oxazines for Cyanide Detection","Journal of Organic Chemistry","2006","71","","744","753","10.1021/jo052096r","","","0.71073","MoKα","","0.1395","0.0639","","","0.1266","0.1492","","","","","","0.942","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021415","8.7976","0.0012","18.011","0.006","15.68","0.004","90","","104.74","0.02","90","","2402.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O3 -","- C29 H24 N4 O3 -","- C116 H96 N16 O12 -","4","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Chromogenic Oxazines for Cyanide Detection","Journal of Organic Chemistry","2006","71","","744","753","10.1021/jo052096r","","","1.54178","CuKα","","0.0772","0.0601","","","0.1675","0.1806","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021416","9.5783","0.0009","25.749","0.003","16.5586","0.0017","90","","96.163","0.008","90","","4060.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 N4 O6 -","- C40 H60 N4 O6 -","- C160 H240 N16 O24 -","4","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Chromogenic Oxazines for Cyanide Detection","Journal of Organic Chemistry","2006","71","","744","753","10.1021/jo052096r","","","1.54248","CuKα","","0.1506","0.1029","","","0.1589","0.1791","","","","","","1.282","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021417","7.7629","0.0016","8.5948","0.0017","21.728","0.004","81.54","0.03","85.9","0.03","73.88","0.03","1376.8","0.5","293","2","293","2","","","","","","","synthetic","5","P -1","-P 1","2","[1,5]benzothiazepine-derived beta-lactam derivative","[1,5]benzothiazepine-derived beta-lactam derivative","","- C32 H27 N O3 S2 -","- C32 H27 N O3 S2 -","- C64 H54 N2 O6 S4 -","2","1","","Lei Jiao; Qianfeng Zhang; Yong Liang; Shiwei Zhang; Jiaxi Xu","A Versatile Method for the Synthesis of 3-Alkoxycarbonyl β-Lactam Derivatives","Journal of Organic Chemistry","2006","71","","815","818","10.1021/jo052135z","","x-ray","0.71073","MoKα","","0.0645","0.0415","","","0.1022","0.1116","","","","","","0.971","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4021418","11.3847","0.0013","12.0263","0.0013","19.227","0.002","90","","97.452","0.002","90","","2610.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cr O7 S4 -","- C21 H20 Cr O7 S4 -","- C84 H80 Cr4 O28 S16 -","4","1","","Alejandro M. Granados; Jeronimo Kreiker; Rita H. de Rossi; Pedro Fuertes; Tomás Torroba","Synthesis of 1,3-Dithiin Dithioortho Esters from the Reaction of Fischer Carbenes and 3H-1,2-Dithiole-3-thiones","Journal of Organic Chemistry","2006","71","","808","810","10.1021/jo052168e","","","0.71073","MoKα","","0.0566","0.0425","","","0.1202","0.1322","","","","","","1.145","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021419","10.1366","0.0007","13.4877","0.0009","13.652","0.001","104.656","0.001","90.456","0.001","102.913","0.001","1756","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O2 S5 -","- C16 H13 N O2 S5 -","- C64 H52 N4 O8 S20 -","4","2","","Alejandro M. Granados; Jeronimo Kreiker; Rita H. de Rossi; Pedro Fuertes; Tomás Torroba","Synthesis of 1,3-Dithiin Dithioortho Esters from the Reaction of Fischer Carbenes and 3H-1,2-Dithiole-3-thiones","Journal of Organic Chemistry","2006","71","","808","810","10.1021/jo052168e","","","0.71073","MoKα","","0.0531","0.0414","","","0.1109","0.1271","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021420","10.4497","0.0015","12.7182","0.0018","15.18","0.002","66.129","0.002","84.317","0.002","74.029","0.002","1773.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 N4 O2 -","- C48 H36 N4 O2 -","- C96 H72 N8 O4 -","2","1","","Wenchao Qu; Tang Ding; Anil Cetin; John D. Harvey; Michael J. Taschner; Christopher J. Ziegler","Facile Peripheral Modification of N-Confused Porphyrin","Journal of Organic Chemistry","2006","71","","811","814","10.1021/jo052188g","","","0.71073","MoKα","","0.0733","0.0565","","","0.1658","0.175","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021421","13.029","0.004","13.734","0.004","13.913","0.004","77.699","0.004","79.722","0.004","67.39","0.004","2232.5","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H55 Co N5 O2 -","- C53 H39 Co N5 O2 -","- C106 H78 Co2 N10 O4 -","2","1","","Wenchao Qu; Tang Ding; Anil Cetin; John D. Harvey; Michael J. Taschner; Christopher J. Ziegler","Facile Peripheral Modification of N-Confused Porphyrin","Journal of Organic Chemistry","2006","71","","811","814","10.1021/jo052188g","","","0.71073","MoKα","","0.1643","0.0988","","","0.2454","0.2793","","","","","","0.964","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021422","12.825","0.004","13.091","0.004","20.892","0.005","106.189","0.009","102.618","0.009","93.606","0.008","3258.3","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C65.4 H76.1 N10.7 O12 -","- C65.4 H76.1 N10.7 O12 -","- C130.8 H152.2 N21.4 O24 -","2","1","","Marc Sauer; Charles Yeung; Jonathan H. Chong; Brian O. Patrick; Mark J. MacLachlan","N-Salicylideneanilines: Tautomers for Formation of Hydrogen-Bonded Capsules, Clefts, and Chains","Journal of Organic Chemistry","2006","71","","775","788","10.1021/jo052277t","","","0.71073","MoKα","","0.2421","0.1353","","","0.3417","0.3923","","","","","","1.165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021423","9.055","0.005","12.712","0.005","16.439","0.005","84.358","0.005","85.019","0.005","89.982","0.005","1875.9","1.4","173","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Cl3 N4 O6 -","- C39 H38 Cl3 N4 O6 -","- C78 H76 Cl6 N8 O12 -","2","1","","Marc Sauer; Charles Yeung; Jonathan H. Chong; Brian O. Patrick; Mark J. MacLachlan","N-Salicylideneanilines: Tautomers for Formation of Hydrogen-Bonded Capsules, Clefts, and Chains","Journal of Organic Chemistry","2006","71","","775","788","10.1021/jo052277t","","","0.71069","MoKα","","0.0806","0.0522","","","0.1257","0.1409","","","","","","1.033","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021424","6.1725","0.0007","8.6279","0.0017","18.2294","0.0022","90","","95.813","0.009","90","","965.83","0.25","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O6 -","- C20 H19 N3 O6 -","- C40 H38 N6 O12 -","2","1","","Shun-Yuan Luo; Suvarn S. Kulkarni; Chien-Hung Chou; Wei-Meen Liao; Shang-Cheng Hung","A Concise Synthesis of Tetrahydroxy-LCB, α-Galactosyl Ceramide, and 1,4-Dideoxy-1,4-imino-L-ribitol via D-Allosamines as Key Building Blocks","Journal of Organic Chemistry","2006","71","","1226","1229","10.1021/jo051518u","","","0.7093","MolybdenumKα","","0.076","0.034","","0.038","0.034","","","","","1.26","1.26","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021425","6.5285","0.0008","10.708","0.0014","16.894","0.002","101.409","0.002","100.481","0.002","94.819","0.002","1129.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H38 O2 Si -","- C25 H38 O2 Si -","- C50 H76 O4 Si2 -","2","1","","Howard E. Zimmerman; Jie Cheng","Control of Stereoselective Protonation of Enols","Journal of Organic Chemistry","2006","71","","873","882","10.1021/jo051611i","","","0.71073","MoKα","","0.0559","0.0459","","","0.1202","0.1328","","","","","","1.037","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021426","8.5613","0.0002","15.6149","0.0004","12.0541","0.0003","90","","92.2023","0.0015","90","","1610.25","0.07","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","Dibutyl[5,10-dihydro-1,9-bis(phenylsulfonyl)-5-phenyldipyrrinato]tin(IV)","Dibutyl[5,10-dihydro-1,9-bis(phenylsulfonyl)-5-phenyldipyrrinato]tin(IV)","","- C35 H38 N2 O4 S2 Sn -","- C35 H38 N2 O4 S2 Sn -","- C70 H76 N4 O8 S4 Sn2 -","2","1","","Patchanita Thamyongkit; Anil D. Bhise; Masahiko Taniguchi; Jonathan S. Lindsey","Alkylthio Unit as an α-Pyrrole Protecting Group for Use in Dipyrromethane Synthesis","Journal of Organic Chemistry","2006","71","","903","910","10.1021/jo051806q","","","0.71073","MolybdenumKα","","0.039","0.03","","0.034","0.025","","","","","1.03","1.03","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021427","18.6014","0.0008","19.2511","0.0009","10.3718","0.0005","90","","90","","90","","3714.1","0.3","273","2","273","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- C43 H53 O6 -","- C43 H53 O6 -","- C172 H212 O24 -","4","1","","Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang","Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation","Journal of Organic Chemistry","2006","71","","940","946","10.1021/jo051896z","","","0.71073","MoKα","","0.075","0.0627","","","0.1724","0.1911","","","","","","1.022","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021428","12.5115","0.0011","14.6376","0.0012","24.26","0.002","89.413","0.002","80.832","0.002","87.561","0.002","4382.1","0.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H63 Ag7 Cl3 F21 O20 -","- C79 H63 Ag7 Cl3 F21 O20 -","- C158 H126 Ag14 Cl6 F42 O40 -","2","1","","Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang","Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation","Journal of Organic Chemistry","2006","71","","940","946","10.1021/jo051896z","","","0.71073","MoKα","","0.1658","0.0616","","","0.1345","0.1821","","","","","","0.915","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021429","19.45","0.006","25.18","0.008","20.114","0.006","90","","100.102","0.007","90","","9698","5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92 H92 Ag6 F18 O24 -","- C92 H92 Ag6 F18 O24 -","- C368 H368 Ag24 F72 O96 -","4","1","","Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang","Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation","Journal of Organic Chemistry","2006","71","","940","946","10.1021/jo051896z","","","0.71073","MoKα","","0.1134","0.0538","","","0.1377","0.168","","","","","","1.018","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021430","8.268","0.001","22.444","0.003","9.7559","0.0006","89.994","0.004","99.071","0.005","90.032","0.002","1787.7","0.3","150.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 N2 O8 -","- C36 H50 N2 O8 -","- C72 H100 N4 O16 -","2","1","","Tsutomu Inokuchi; Hiroyuki Kawafuchi","E- or Z-Selective Knoevenagel Condensation of Acetoacetic Derivatives: Effect of Acylated Substituent, that is, TEMPO and Amines, as an Auxiliary, and New Accesses to Trisubstituted E- and Z-2-Alkenals and Furans","Journal of Organic Chemistry","2006","71","","947","953","10.1021/jo051952w","","","0.7107","MoKα","","","0.0895","","","","0.2663","","","","","","4.331","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021431","25.122","0.003","12.103","0.002","33.724","0.005","90","","102.191","0.004","90","","10023","3","110","","110","","","","","","","","local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H67 Cl15 N12 O13 -","- C105 H60 Cl15 N12 O13 -","- C420 H240 Cl60 N48 O52 -","4","1","","Erhong Hao; Frank R. Fronczek; M. Graça H. Vicente","Synthesis of Oxacalixarene-Locked Bisporphyrins and Higher Oligomers","Journal of Organic Chemistry","2006","71","","1233","1236","10.1021/jo051964h","","","0.71073","MoKα","","0.177","0.135","","","0.359","0.378","","","","","","2.544","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021432","13.334","0.007","16.27","0.008","26.055","0.013","99.242","0.009","99.572","0.009","99.647","0.009","5391","5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H121 Cl12 N13 O14 P4 -","- C70 H121 Cl12 N13 O14 P4 -","- C140 H242 Cl24 N26 O28 P8 -","2","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.2299","0.0926","","","0.2381","0.2981","","","","","","0.913","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021433","13.6582","0.0012","10.5579","0.0009","20.5262","0.0018","90","","93.168","0.001","90","","2955.4","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H48 N6 O4 P2 -","- C22 H48 N6 O4 P2 -","- C88 H192 N24 O16 P8 -","4","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0433","0.0379","","","0.104","0.1104","","","","","","1.027","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021434","18.2506","0.0018","9.7929","0.0016","18.982","0.002","90","","109.54","0.04","90","","3197.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Cl F3 N5 O5 P2 -","- C22 H45 Cl F3 N5 O5 P2 -","- C88 H180 Cl4 F12 N20 O20 P8 -","4","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0677","0.0475","","","0.1361","0.1525","","","","","","1.04","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021435","9.636","0.002","16.662","0.004","26.283","0.002","90","","90","","90","","4220","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 Cl5 N5 O6 P2 -","- C32 H50 Cl5 N5 O6 P2 -","- C128 H200 Cl20 N20 O24 P8 -","4","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0526","0.0415","","","0.1094","0.1337","","","","","","1.073","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021436","15.035","0.003","15.151","0.003","19.568","0.004","107.692","0.003","107.43","0.003","94.971","0.003","3973.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H116 N12 O12 P4 -","- C62 H116 N12 O12 P4 -","- C124 H232 N24 O24 P8 -","2","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0867","0.0586","","","0.1748","0.1966","","","","","","1.01","","","","has coordinates,has disorder","178392","2020-10-21","18:00:00",""
"4021437","6.985","0.007","23","0.02","9.252","0.009","90","","108.404","0.014","90","","1411","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.0809","0.0435","","","0.0835","0.0912","","","","","","0.906","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021438","6.1683","0.0009","8.3056","0.0012","12.5311","0.0017","88.535","0.002","78.534","0.002","87.202","0.002","628.34","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Br N2 O -","- C15 H9 Br N2 O -","- C30 H18 Br2 N4 O2 -","2","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.041","0.0375","","","0.0932","0.0943","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021439","9.1772","0.001","39.584","0.004","7.1107","0.0008","90","","92.663","0.002","90","","2580.3","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H19 Br Cl3 N3 O4 -","- C26 H19 Br Cl3 N3 O4 -","- C104 H76 Br4 Cl12 N12 O16 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.0341","0.0315","","","0.074","0.0751","","","","","","1.036","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021440","15.625","0.013","11.062","0.009","10.915","0.009","90","","96.137","0.013","90","","1876","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br N3 -","- C23 H18 Br N3 -","- C92 H72 Br4 N12 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.1683","0.0825","","","0.1567","0.1858","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021441","17.428","0.002","5.5538","0.0007","19.492","0.003","90","","90","","90","","1886.6","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H16 Br N3 O2 -","- C23 H16 Br N3 O2 -","- C92 H64 Br4 N12 O8 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.043","0.0372","","","0.0844","0.0878","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021442","15.4467","0.0018","11.1272","0.0013","10.5033","0.0013","90","","94.085","0.002","90","","1800.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br N3 -","- C22 H15 Br N3 -","- C88 H60 Br4 N12 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.0571","0.0399","","","0.0953","0.1027","","","","","","1.035","","","","has coordinates,has disorder","178392","2020-10-21","18:00:00",""
"4021443","18.873","0.002","12.336","0.001","6.7665","0.0007","90","","90","","90","","1575.4","0.3","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","8-styrylfluoranthrene","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0405","0.0367","","","0.0901","0.0925","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021444","10.822","0.002","15.188","0.002","10.316","0.002","90","","110.95","0.03","90","","1583.6","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0926","0.0442","","","0.0852","0.0962","","","","","","0.825","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021445","8.09","0.001","15.095","0.002","26.844","0.004","90","","90","","90","","3278.2","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(2-pyren-1-yl-vinyl)benzonitrile","","- C25 H15 N -","- C25 H15 N -","- C200 H120 N8 -","8","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0666","0.0457","","","0.1058","0.1163","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021446","20.673","0.002","10.939","0.001","7.5738","0.0008","90","","90","","90","","1712.8","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","p-nitrostyrylpyrene","1-[2-(4-nitrophenyl)vinyl]pyrene","","- C24 H15 N O2 -","- C24 H15 N O2 -","- C96 H60 N4 O8 -","4","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0541","0.0408","","","0.0931","0.0995","","","","","","1.041","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021447","9.594","0.003","18.68","0.006","19.237","0.006","117.294","0.004","100.954","0.004","93.956","0.004","2959.2","1.6","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","Cis-1,2-bis(azulen-2-yl)ethene","","- C22 H16 -","- C22 H16 -","- C176 H128 -","8","4","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.1641","0.0778","","","0.1697","0.2097","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021448","11.079","0.001","11.079","0.002","9.666","0.001","90","","90","","120","","1027.5","0.2","293","2","293","2","","","","","","","synthesised by authors","5","P 32","P 32","145","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C39 H51 N3 O6 S3 -","3","1","","Anna Arefalk; Johan Wannberg; Mats Larhed; Anders Hallberg","Stereoselective Synthesis of 3-Aminoindan-1-ones and Subsequent Incorporation into HIV-1 Protease Inhibitors","Journal of Organic Chemistry","2006","71","","1265","1268","10.1021/jo0521504","","","0.71073","MoKα","","0.1477","0.0974","","","0.1631","0.1995","","","","","","0.781","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021449","11.08","0.002","11.08","0.001","9.6707","0.0011","90","","90","","120","","1028.2","0.2","293","1","","","","","","","","","synthesised by authors","5","P 31","P 31","144","","3-t-Butylsulfinamyl-1-indanone","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C39 H51 N3 O6 S3 -","3","1","","Anna Arefalk; Johan Wannberg; Mats Larhed; Anders Hallberg","Stereoselective Synthesis of 3-Aminoindan-1-ones and Subsequent Incorporation into HIV-1 Protease Inhibitors","Journal of Organic Chemistry","2006","71","","1265","1268","10.1021/jo0521504","","","0.71073","MoKα","","0.1411","0.0961","","","0.1897","0.2158","","","","","","1.067","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021450","10.601","0.004","26.402","0.009","15.586","0.006","90","","93.145","0.006","90","","4356","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H127 N2 O53.5 -","- C62 H94 N2 O53.5 -","- C124 H188 N4 O107 -","2","1","","Zhi Fan; Chun-Hua Diao; Hai-Bin Song; Zuo-Liang Jing; Ming Yu; Xin Chen; Min-Jie Guo","Encapsulation of Quinine by β-Cyclodextrin: Excellent Model for Mimicking Enzyme-Substrate Interactions","Journal of Organic Chemistry","2006","71","","1244","1246","10.1021/jo052183j","","","0.71073","MoKα","","0.116","0.0715","","","0.1745","0.2075","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021451","15.6855","0.0014","8.4155","0.0008","14.3404","0.0013","90","","93.234","0.002","90","","1889.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Cl2 N3 O4 -","- C21 H13 Cl2 N3 O4 -","- C84 H52 Cl8 N12 O16 -","4","1","","Lei Zhao; Fushun Liang; Xihe Bi; Shaoguang Sun; Qun Liu","Efficient Synthesis of Highly Functionalized Dihydropyrido[2,3-d]pyrimidines by a Double Annulation Strategy from α-Alkenoyl-α-carbamoyl Ketene-(S,S)-acetals","Journal of Organic Chemistry","2006","71","","1094","1098","10.1021/jo0522106","","","0.71073","MoKα","","0.0698","0.051","","","0.1352","0.1499","","","","","","0.942","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021452","14.02","0.005","15.153","0.005","16.128","0.006","110.655","0.006","92.14","0.006","104.819","0.006","3068.5","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C64.5 H72 N8 O10.5 -","- C64.5 H72 N8 O10.5 -","- C129 H144 N16 O21 -","2","1","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.1756","0.0742","","","0.206","0.2777","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021453","15.446","0.003","18.167","0.004","21.565","0.004","81.08","0.03","82.77","0.03","82.46","0.03","5892","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H118 N16 O20 -","- C118 H118 N16 O20 -","- C236 H236 N32 O40 -","2","1","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.3453","0.1259","","","0.2667","0.332","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021454","19.598","0.004","15.696","0.003","24.508","0.005","90","","100.17","0.03","90","","7421","3","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C154 H178 N20 O28 -","- C154 H178 N20 O28 -","- C308 H356 N40 O56 -","2","0.5","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.3212","0.1859","","","0.4474","0.4905","","","","","","1.092","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021455","14.224","0.003","15.299","0.004","17.295","0.004","97.973","0.004","104.545","0.004","117.658","0.004","3080.1","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H68 N9 O9.25 -","- C63.25 H67 N9 O9.25 -","- C126.5 H134 N18 O18.5 -","2","1","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.2184","0.0949","","","0.2372","0.315","","","","","","1.022","","","","has coordinates,has disorder","178392","2020-10-21","18:00:00",""
"4021456","7.2","0.0011","8.009","0.0016","11.122","0.0019","88.642","0.007","100.505","0.01","105.62","0.012","607.09","0.18","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(1R*, 5R*)-7,7-diethylnyl-5-hydroxymethyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H14 O4 -","- C13 H14 O4 -","- C26 H28 O8 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0515","0.0485","","","0.129","0.1378","","","","","","1.025","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021457","7.686","0.003","7.823","0.002","12.384","0.002","108.9","0.014","89.388","0.016","108.722","0.013","663.6","0.3","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(1R*, 5R*, 7S*)-7-ethyl-5-hydroxymethyl-7-vinyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H14 O4 -","- C13 H20 O4 -","- C26 H40 O8 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.1063","0.1026","","","0.2394","0.2417","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021458","8.931","0.0012","14.491","0.003","12.03","0.0013","90","","128.818","0.007","90","","1213.1","0.3","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R*, 5R*)-7,7-divinyl-5-hydroxymethyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0607","0.0521","","","0.1296","0.1362","","","","","","1.085","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021459","8.085","0.0004","7.474","0.0003","21.798","0.0011","90","","91.113","0.003","90","","1316.95","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1R*, 5R*)-7,7-diethylnyl-5-iodomethyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H13 I O3 -","- C13 H13 I O3 -","- C52 H52 I4 O12 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.088","0.077","","","0.2018","0.216","","","","","","1.08","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021460","8.422","0.002","12.714","0.002","13.419","0.004","90","","100.566","0.015","90","","1412.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1R*, 5R*, 7S*)-7-ethyl-5-iodomethyl-7-vinyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H19 I O3 -","- C13 H19 I O3 -","- C52 H76 I4 O12 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0563","0.0472","","","0.1218","0.1286","","","","","","0.989","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021461","7.639","0.0004","8.035","0.0009","16.499","0.0016","89.13","0.005","89.221","0.005","80.184","0.006","997.7","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1R*, 5R*, 7S*)-7-(m-chlorobenzoyloxymethyl)-7-ethyl-5- hydroxymethyl-6-oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C20 H25 Cl O6 -","- C20 H25 Cl O6 -","- C40 H50 Cl2 O12 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0954","0.0784","","","0.1768","0.1956","","","","","","1.083","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021462","8.495","0.0002","9.715","0.0003","9.99","0.0004","81.011","0.001","76.269","0.001","80.257","0.002","783.53","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(1R*, 3S*)-3-acetoxymethyl-1-(1-S-ethyl-oxiranyl)-3- hydroxy-cyclohexanecarboxylic acid methyl ester","","- C15 H24 O6 -","- C15 H24 O6 -","- C30 H48 O12 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0852","0.0692","","","0.1714","0.1997","","","","","","1.042","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021463","9.408","0.0003","10.167","0.0003","13.393","0.0004","90","","106.535","0.001","90","","1228.08","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4R*, 5R*, 7S*)-4-ethyl-4,7-dihidroxy-7- hydroxymethyl-2-oxa-spiro[4.5]decan-1-one","","- C12 H20 O5 -","- C12 H20 O5 -","- C48 H80 O20 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0844","0.0579","","","0.154","0.1862","","","","","","1.06","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021464","7.0506","0.0012","11.0911","0.0019","25.228","0.005","90","","90","","90","","1972.8","0.6","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Gary A. Molander; Barbara Czakó; David J. St. Jean, Jr.","A General Route toward the Synthesis of the Cladiellin Skeleton Utilizing a SmI~2~-Mediated Cyclization","Journal of Organic Chemistry","2006","71","","1172","1180","10.1021/jo052290d","","","0.71069","MoKα","","0.0716","0.0357","","","0.0666","0.0782","","","","","","0.791","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021465","9.9999","0.0004","7.6682","0.0003","14.1917","0.0005","90","","90","","90","","1088.24","0.07","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","C3H7N5","","","- C3 H7 N5 -","- C3 H7 N5 -","- C24 H56 N40 -","8","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0861","0.0522","","","0.1282","0.1477","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021466","6.0853","0.0002","8.1184","0.0003","11.6028","0.0004","90","","99.6469","0.0015","90","","565.11","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N6 O -","- C3 H4 N6 O -","- C12 H16 N24 O4 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0505","0.0431","","","0.1102","0.117","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021467","5.9553","0.0004","13.2837","0.001","17.4438","0.0015","90","","90","","90","","1379.95","0.18","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O2 -","- C3 H6 N6 O2 -","- C24 H48 N48 O16 -","8","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0735","0.0411","","","0.0862","0.0943","","","","","","0.878","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021468","8.6094","0.001","12.5135","0.0009","10.5791","0.0012","90","","106.896","0.013","90","","1090.53","0.19","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H14 N6 O2 -","- C7 H14 N6 O2 -","- C28 H56 N24 O8 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0837","0.0419","","","0.0873","0.0976","","","","","","0.877","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021469","7.4471","0.0009","6.81","0.0006","10.2003","0.0011","90","","110.613","0.009","90","","484.19","0.09","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,6-Dihydro-7H-imidazolo[1,2-d]tetrazole","","- C3 H5 N5 -","- C3 H5 N5 -","- C12 H20 N20 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0417","0.0357","","","0.0955","0.1023","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021470","14.045","0.002","5.7882","0.0018","8.231","0.002","90","","102.285","0.019","90","","653.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N6 O -","- C3 H6 N6 O -","- C12 H24 N24 O4 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0566","0.0419","","","0.11","0.1221","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021471","6.2083","0.0008","8.6833","0.0014","11.651","0.002","90","","102.308","0.013","90","","613.65","0.18","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N6 O2 -","- C3 H4 N6 O2 -","- C12 H16 N24 O8 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0711","0.0524","","","0.1252","0.1384","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021472","9.408","0.0002","10.125","0.0002","14.0952","0.0003","90","","90","","90","","1342.65","0.05","173","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 N2 O5 S -","- C10 H18 N2 O5 S -","- C40 H72 N8 O20 S4 -","4","1","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez-Osés; Jesús M. Peregrina","S~N~2 Reaction of Sulfur Nucleophiles with Hindered Sulfamidates: Enantioselective Synthesis of α-Methylisocysteine","Journal of Organic Chemistry","2006","71","","1692","1695","10.1021/jo051632c","","","0.71073","MoKα","","0.0415","0.036","","","0.0928","0.0957","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021473","15.104","0.0004","6.16","0.0002","16.064","0.0005","90","","117.063","0.001","90","","1330.96","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 N2 O5 S2 -","- C27 H30 N2 O5 S2 -","- C54 H60 N4 O10 S4 -","2","1","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez-Osés; Jesús M. Peregrina","S~N~2 Reaction of Sulfur Nucleophiles with Hindered Sulfamidates: Enantioselective Synthesis of α-Methylisocysteine","Journal of Organic Chemistry","2006","71","","1692","1695","10.1021/jo051632c","","","0.71073","MoKα","","0.0865","0.0551","","","0.1245","0.1416","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021474","9.5204","0.0006","10.3261","0.0007","15.3043","0.001","90","","101.783","0.001","90","","1472.84","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Br S3 -","- C13 H21 Br S3 -","- C52 H84 Br4 S12 -","4","1","","Toshikazu Kitagawa; Yuichi Idomoto; Hiroaki Matsubara; Daisuke Hobara; Takashi Kakiuchi; Takao Okazaki; Koichi Komatsu","Rigid Molecular Tripod with an Adamantane Framework and Thiol Legs. Synthesis and Observation of an Ordered Monolayer on Au(111)","Journal of Organic Chemistry","2006","71","","1362","1369","10.1021/jo051863j","","","0.71073","MoKα","","0.0301","0.027","","","0.0738","0.0749","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021475","9.6218","0.0002","28.36","0.001","11.5099","0.0004","90","","107.566","0.002","90","","2994.3","0.2","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 N7 O2 S2 -","- C27 H37 N7 O2 S2 -","- C108 H148 N28 O8 S8 -","4","1","","Martin Walther; Kurt Wermann; Marion Lutsche; Wolfgang Günther; Helmar Görls; Ernst Anders","Synthesis of Azolyl Carboximidamides as Ligands for Zn(II) and Cu(II): Application of the Zn(II) Complexes as Catalysts for the Copolymerization of Carbon Dioxide and Epoxides","Journal of Organic Chemistry","2006","71","","1399","1406","10.1021/jo052056n","","","0.71073","MoKα","","0.1551","0.0881","","","0.2045","0.2362","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021476","12.837","0.002","22.303","0.002","13.85","0.001","90","","90","","90","","3965.3","0.8","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H48 Cu N8 O5 S2 -","- C34 H48 Cu N9 O6 S2 -","- C136 H192 Cu4 N36 O24 S8 -","4","1","","Martin Walther; Kurt Wermann; Marion Lutsche; Wolfgang Günther; Helmar Görls; Ernst Anders","Synthesis of Azolyl Carboximidamides as Ligands for Zn(II) and Cu(II): Application of the Zn(II) Complexes as Catalysts for the Copolymerization of Carbon Dioxide and Epoxides","Journal of Organic Chemistry","2006","71","","1399","1406","10.1021/jo052056n","","","0.71073","MoKα","","0.054","0.0357","","","0.0916","0.0992","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4021477","6.2686","0.0009","8.196","0.001","6.084","0.002","111.81","0.01","101.01","0.02","110.62","0.01","252.3","0.08","298.2","","298","","","","","","","","","4","P 1","P 1","1","","","","- C10 H17 N O -","- C10 H17 N O -","- C10 H17 N O -","1","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0369","","","","0.0527","","","","","","1.429","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021478","7.489","0.002","13.794","0.003","6.046","0.003","92.8","0.03","104.72","0.03","87.6","0.02","603","0.3","294","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 N O -","- C12 H21 N O -","- C24 H42 N2 O2 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0821","","","","0.1108","","","","","","2.24","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021479","15.645","0.005","15.428","0.002","11.384","0.003","90","","90","","90","","2747","1","294.2","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0528","","","","0.0561","","","","","","1.478","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021480","7.605","0.002","13.704","0.003","6.018","0.002","95.95","0.02","105.14","0.02","83.64","0.02","599.8","0.3","294","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O -","- C12 H19 N O -","- C24 H38 N2 O2 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0681","","","","0.0848","","","","","","1.885","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021481","16.852","0.005","18.09","0.005","9.068","0.003","90","","90","","90","","2764","2","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O -","- C16 H21 N O -","- C128 H168 N8 O8 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0513","","","","0.0579","","","","","","1.484","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021482","15.422","0.005","16.648","0.006","6.804","0.003","90","","90","","90","","1747","1","298","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0457","","","","0.0487","","","","","","1.439","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021483","16.3285","0.0002","13.5208","0.0002","13.9382","0.0002","90","","99.738","0.001","90","","3032.86","0.07","273","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1R,2R,3S)-1-cyano-3-hydroxy-2,3-dimethyl-N-phenylcyclohexanecarboxamide","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C128 H160 N16 O16 -","8","2","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.71073","MoKα","","0.0873","0.0447","","","0.0912","0.1053","","","","","","0.96","","","","has coordinates,has disorder","193989","2020-10-21","18:00:00",""
"4021484","10.085","0.003","18.828","0.005","7.563","0.002","98.64","0.02","103.16","0.02","87.8","0.02","1382.5","0.6","294","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","2","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0525","","","","0.0644","","","","","","1.572","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021485","6.917","0.002","20.548","0.008","8.673","0.003","90","","104.45","0.03","90","","1193.6","0.8","294.2","","294.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C48 H84 N4 O8 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0413","","","","0.0562","","","","","","1.267","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021486","21.761","0.004","7.581","0.002","7.508","0.001","90","","98.84","0.01","90","","1223.9","0.4","294","","294.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C52 H84 N4 O8 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0462","","","","0.0596","","","","","","1.504","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021487","19.047","0.004","16.454","0.004","12.525","0.004","90","","90","","90","","3925","3","294.2","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C184 H184 N8 O24 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0888","","","","0.1193","","","","","","2.168","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021488","7.647","0.002","12.894","0.005","7.616","0.004","93.83","0.04","96.96","0.03","105.74","0.02","713.6","0.5","29","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C26 H38 N2 O10 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0571","","","","0.0615","","","","","","1.353","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021489","6.0211","0.0004","29.3871","0.0018","7.4673","0.0004","90","","104.203","0.002","90","","1280.9","0.13","296","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1R,2R,3S)-1-(cyclopropylmethyl)-2,3- dimethylyclohexanecarbonitrile","","- C13 H21 N O -","- C13 H21 N O -","- C52 H84 N4 O4 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.71073","MoKα","","0.0782","0.0451","","","0.1156","0.1287","","","","","","1.053","","","","has coordinates","193990","2020-10-21","18:00:00",""
"4021490","7.5391","0.0009","14.678","0.002","6.046","0.001","90.52","0.01","105.22","0.01","91.55","0.01","645.2","0.2","294.2","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 N O -","- C13 H21 N O -","- C26 H42 N2 O2 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0545","","","","0.0687","","","","","","1.694","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021491","13.932","0.003","16.279","0.003","18.937","0.004","90","","90","","90","","4295","1.5","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1R,3S,6S,9R)-3-Iodo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3S,6S,9R)-3-Iodo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 I O -","- C13 H23 I O -","- C156 H276 I12 O12 -","12","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0339","0.0242","","","0.0427","0.0449","","","","","","1.017","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021492","13.658","0.004","16.12","0.004","18.84","0.005","90","","90","","90","","4148","1.9","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1R,3S,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3S,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Br O -","- C13 H23 Br O -","- C156 H276 Br12 O12 -","12","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0945","0.0371","","","0.0666","0.0791","","","","","","0.904","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021493","16.422","0.0003","16.422","0.0003","7.6968","0.0003","90","","90","","90","","2075.69","0.1","193","2","193","2","","","","","","","synthesis","4","I -4","I -4","82","(1S*,3S*)-3-Bromo-1,5,5-trimethylcyclohexanol","(1S*,3S*)-3-Bromo-1,5,5-trimethylcyclohexanol","","- C9 H17 Br O -","- C9 H17 Br O -","- C72 H136 Br8 O8 -","8","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0318","0.0278","","","0.071","0.0728","","","","","","1.038","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021494","16.4301","0.0004","16.4301","0.0004","8.272","0.0005","90","","90","","90","","2233.01","0.16","193","2","193","2","","","","","","","synthesis","4","I -4","I -4","82","(1R*,2S*,3R*)-3-Chloro-1,2,5,5-tetramethylcyclohexanol","(1R*,2S*,3R*)-3-Chloro-1,2,5,5-tetramethylcyclohexanol","","- C10 H19 Cl O -","- C10 H19 Cl O -","- C80 H152 Cl8 O8 -","8","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0337","0.0324","","","0.0852","0.0868","","","","","","1.087","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021495","6.624","0.002","8.063","0.003","12.29","0.005","90","","96.189","0.006","90","","652.6","0.4","193","2","193","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","(1R,3R,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3R,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Br O -","- C13 H23 Br O -","- C26 H46 Br2 O2 -","2","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0331","0.0267","","","0.0555","0.0571","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021496","6.516","0.004","8.084","0.005","12.148","0.008","90","","94.748","0.009","90","","637.7","0.7","193","2","193","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","(1R,3R,6S,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3R,6S,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C26 H46 Cl2 O2 -","2","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0436","0.0321","","","0.0618","0.0647","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021497","12.447","0.006","12.447","0.006","49.29","0.05","90","","90","","120","","6613","8","193","2","193","2","","","","","","","synthesis","4","P 61","P 61","169","(1S,2R,3R,6S,9R)-3-Chloro-2,5,5,9-tetramethylbicyclo[4.4.0]decan-1-ol","(1S,2R,3R,6S,9R)-3-Chloro-2,5,5,9-tetramethylbicyclo[4.4.0]decan-1-ol","","- C14 H25 Cl O -","- C14 H25 Cl O -","- C252 H450 Cl18 O18 -","18","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.1037","0.0514","","","0.0903","0.1017","","","","","","0.914","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021498","5.702","0.003","9.187","0.004","24.444","0.012","90","","90","","90","","1280.5","1","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1S,3S,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1S,3S,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C52 H92 Cl4 O4 -","4","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0583","0.0348","","","0.064","0.0687","","","","","","0.935","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021499","5.7016","0.0009","13.263","0.002","17.305","0.003","90","","90","","90","","1308.6","0.4","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1S,3R,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1S,3R,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C52 H92 Cl4 O4 -","4","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0649","0.0411","","","0.0895","0.0957","","","","","","0.973","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021500","6.3934","0.0005","9.9221","0.0008","28.137","0.002","90","","90","0.002","90","","1784.9","0.2","198","2","198","2","","","","","","","XS-IV-83R","5","P 1 21 1","P 2yb","4","Endo-Proline-phosphoramide(3,5-di-Me-Ph).","","","- C18 H28 N3 O P -","- C18 H28 N3 O P -","- C72 H112 N12 O4 P4 -","4","2","","Scott E. Denmark; Jiping Fu; Diane M. Coe; Xiping Su; Norman E. Pratt; Brian D. Griedel","Chiral Phosphoramide-Catalyzed Enantioselective Addition of Allylic Trichlorosilanes to Aldehydes. Preparative and Mechanistic Studies with Monodentate Phosphorus-Based Amides","Journal of Organic Chemistry","2006","71","","1513","1522","10.1021/jo052202p","","","0.71073","MoKα","","0.2487","0.1163","","0.2304","0.1652","","","","1.2","1.288","1.288","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021501","5.9036","0.0013","17.011","0.004","23.974","0.005","90","","90","","90","","2407.6","0.9","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Br O2 -","- C28 H29 Br O2 -","- C112 H116 Br4 O8 -","4","1","","Scott E. Denmark; Jiping Fu; Michael J. Lawler","Chiral Phosphoramide-Catalyzed Enantioselective Addition of Allylic Trichlorosilanes to Aldehydes. Preparative Studies with Bidentate Phosphorus-Based Amides","Journal of Organic Chemistry","2006","71","","1523","1536","10.1021/jo052203h","","","0.71073","MoKα","","0.111","0.0405","","","0.0606","0.072","","","","","","0.9","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021502","9.3773","0.0009","28.293","0.003","10.4971","0.0011","90","","93.167","0.002","90","","2780.8","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O6 S2 -","- C30 H29 N O6 S2 -","- C120 H116 N4 O24 S8 -","4","2","","Gabriela Islas-González; Jordi Benet-Buchholz; Miguel A. Maestro; Antoni Riera; Miquel A. Pericàs","Boron Trifluoride-Induced, New Stereospecific Rearrangements of Chiral Epoxy Ethers. Ready Access to Enantiopure 4-(Diarylmethyl)-1,3-dioxolanes and 4,5-Disubstituted Tetrahydrobenzo[c]oxepin-4-ols","Journal of Organic Chemistry","2006","71","","1537","1544","10.1021/jo052208e","","","0.71073","MoKα","","0.1369","0.0486","","","0.0851","0.1067","","","","","","0.978","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021503","14.8358","0.0016","5.6888","0.0006","17.707","0.002","90","","99.434","0.004","90","","1474.2","0.3","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Benzo[c]oxepin","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Gabriela Islas-González; Jordi Benet-Buchholz; Miguel A. Maestro; Antoni Riera; Miquel A. Pericàs","Boron Trifluoride-Induced, New Stereospecific Rearrangements of Chiral Epoxy Ethers. Ready Access to Enantiopure 4-(Diarylmethyl)-1,3-dioxolanes and 4,5-Disubstituted Tetrahydrobenzo[c]oxepin-4-ols","Journal of Organic Chemistry","2006","71","","1537","1544","10.1021/jo052208e","","","0.71073","MoKα","","0.0996","0.0527","","","0.1109","0.1239","","","","","","0.911","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021504","8.4218","0.0008","9.081","0.0008","9.155","0.0008","97.508","0.007","101.043","0.007","90.621","0.007","680.84","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O -","- C18 H17 N O -","- C36 H34 N2 O2 -","2","1","","Emma L. Cropper; Andrew J. P. White; Agnes Ford; King Kuok (Mimi) Hii","Ligand Effects in the Synthesis of N-Heterocycles by Intramolecular Heck Reactions","Journal of Organic Chemistry","2006","71","","1732","1735","10.1021/jo0522660","","","0.71073","MoKα","","0.0498","0.0489","","","0.1264","0.1271","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021505","16.5637","0.0012","6.9794","0.0006","27.0219","0.0018","90","","100.622","0.006","90","","3070.3","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","","Emma L. Cropper; Andrew J. P. White; Agnes Ford; King Kuok (Mimi) Hii","Ligand Effects in the Synthesis of N-Heterocycles by Intramolecular Heck Reactions","Journal of Organic Chemistry","2006","71","","1732","1735","10.1021/jo0522660","","","0.71073","MoKα","","0.0597","0.0587","","","0.1368","0.1375","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021506","16.6634","0.0019","6.5904","0.0008","20.015","0.002","90","","98.633","0.002","90","","2173.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N2 O3 S -","- C22 H34 N2 O3 S -","- C88 H136 N8 O12 S4 -","4","1","","Larry E. Overman; Emile J. Velthuisen","Scope and Facial Selectivity of the Prins-Pinacol Synthesis of Attached Rings","Journal of Organic Chemistry","2006","71","","1581","1587","10.1021/jo0522862","","","0.71073","MoKα","","0.0576","0.0437","","","0.1133","0.1245","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021507","7.7747","0.0003","10.2153","0.0004","14.7689","0.0006","81.897","0.001","88.927","0.001","68.981","0.001","1083.34","0.07","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N2 O3 S -","- C22 H34 N2 O3 S -","- C44 H68 N4 O6 S2 -","2","1","","Larry E. Overman; Emile J. Velthuisen","Scope and Facial Selectivity of the Prins-Pinacol Synthesis of Attached Rings","Journal of Organic Chemistry","2006","71","","1581","1587","10.1021/jo0522862","","","0.71073","MoKα","","0.0592","0.0404","","","0.0961","0.1081","","","","","","1.046","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021508","11.188","0.003","6.3507","0.0015","16.177","0.004","90","","103.011","0.004","90","","1119.8","0.5","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O3 S -","- C22 H34 N2 O3 S -","- C44 H68 N4 O6 S2 -","2","1","","Larry E. Overman; Emile J. Velthuisen","Scope and Facial Selectivity of the Prins-Pinacol Synthesis of Attached Rings","Journal of Organic Chemistry","2006","71","","1581","1587","10.1021/jo0522862","","","0.71073","MoKα","","0.1614","0.0939","","","0.2159","0.2654","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021509","9.566","0.001","12.145","0.002","23.348","0.004","90","","90","","90","","2712.53","0.65","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O6 S -","- C25 H31 N O6 S -","- C100 H124 N4 O24 S4 -","4","1","","Yin Wang; Qin-Fei He; Hao-Wei Wang; Xuan Zhou; Zhi-Yan Huang; Yong Qin","Highly Diastereoselective Enolate Addition of O-Protected α-Hydroxyacetate to (S~R~)-tert-Butanesulfinylimines: Synthesis of Taxol Side Chain","Journal of Organic Chemistry","2006","71","","1588","1591","10.1021/jo052298n","","","0.71073","MoKα","","0.0655","0.0418","","","0.0866","0.0913","","","","","","0.975","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021510","14.3365","0.0009","19.7335","0.0019","26.4104","0.0019","97.923","0.005","90.04","0.004","106.804","0.005","7077.9","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","3aptolBr","","","- C59.67 H82.67 Br3 N9 O8.67 -","- C52 H42.5 Br3 N8.5 O2.75 -","- C208 H170 Br12 N34 O11 -","4","2","","David R. Turner; Martin J. Paterson; Jonathan W. Steed","A Conformationally Flexible, Urea-Based Tripodal Anion Receptor: Solid-State, Solution, and Theoretical Studies","Journal of Organic Chemistry","2006","71","","1598","1608","10.1021/jo052339f","","","0.71073","MoKα","","0.2527","0.1228","","","0.2976","0.3475","","","","","","0.904","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021511","14.0745","0.0002","26.5397","0.0003","29.3483","0.0004","90","","96.098","0.001","90","","10900.5","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","TUP.PF6/NO3","TUP.PF6/NO3","","- C54 H60 F6 N10.75 O8.5 P1.25 -","- C54 H60 F6 N10.75 O8.5 P1.25 -","- C432 H480 F48 N86 O68 P10 -","8","1","","David R. Turner; Martin J. Paterson; Jonathan W. Steed","A Conformationally Flexible, Urea-Based Tripodal Anion Receptor: Solid-State, Solution, and Theoretical Studies","Journal of Organic Chemistry","2006","71","","1598","1608","10.1021/jo052339f","","","0.71073","MoKα","","0.1169","0.0828","","","0.2247","0.2503","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021512","11.8906","0.0007","12.2442","0.0008","13.4875","0.0007","101.325","0.004","96.59","0.004","117.117","0.003","1666.17","0.17","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H72 F18 N9 O5 P3 -","- C60 H72 F18 N9 O5 P3 -","- C60 H72 F18 N9 O5 P3 -","1","1","","David R. Turner; Martin J. Paterson; Jonathan W. Steed","A Conformationally Flexible, Urea-Based Tripodal Anion Receptor: Solid-State, Solution, and Theoretical Studies","Journal of Organic Chemistry","2006","71","","1598","1608","10.1021/jo052339f","","","0.71073","MoKα","","0.0804","0.0633","","","0.1342","0.1438","","","","","","1.07","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021513","11.6976","0.0014","8.1596","0.001","15.0502","0.0018","90","","107.932","0.002","90","","1366.7","0.3","","","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Aziridino-cyclohexene","(1aR,5aS)-1a-methyl-1-[(4-methylphenyl) sulfonyl]-1a,2,5,5a-tetrahydro-1H-1-benzazirene","","- C14 H17 N O2 S -","- C14 H17 N O2 S -","- C56 H68 N4 O8 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0563","0.049","","","0.1257","0.1301","","","","","","1.128","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021514","21.774","0.005","8.4311","0.0018","16.262","0.003","90","","98.761","0.004","90","","2950.5","1.1","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Aziridino-cyclohexene","(1aR,5aS)-1a,4-dimethyl-1-[(4-methylphenyl) sulfonyl]-1a,2,5,5a-tetrahydro-1H-1-benzazirene","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C120 H152 N8 O16 S8 -","8","2","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0838","0.0706","","","0.1559","0.1657","","","","","","1.265","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021515","12.336","0.008","8.151","0.005","14.536","0.01","90","","104.232","0.011","90","","1416.7","1.6","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Cis-aziridino-epoxy-cyclohexane","(1aS,2aR,3aS,4aR)-2a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0476","0.0413","","","0.1121","0.116","","","","","","1.082","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021516","7.7208","0.0014","18.301","0.003","10.857","0.002","90","","104.458","0.003","90","","1485.6","0.5","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Cis-aziridino-epoxy-cyclohexane","(1aR,2aS,3aR,4aS)-1a,3a-dimethyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0605","0.0496","","","0.1136","0.1181","","","","","","1.123","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021517","6.4314","0.0017","10.997","0.003","24.165","0.006","90","","91.696","0.004","90","","1708.4","0.8","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Cis-aziridino-epoxy-cyclohexane","(1aS,2aS,3aR,4aS)-1a-isopropyl-3a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.1046","0.0856","","","0.164","0.1701","","","","","","1.431","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021518","6.484","0.004","11.763","0.007","18.062","0.011","90","","98.903","0.01","90","","1360.9","1.4","2969","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridino-epoxy-cyclohexane","(1aR,2aR,3aS,4aS)-2a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0468","0.0398","","","0.1066","0.1123","","","","","","1.066","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021519","31.917","0.007","5.9247","0.0013","15.93","0.004","90","","91.371","0.004","90","","3011.4","1.2","296","2","296","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","trans-aziridino-epoxy-cyclohexane","(1aR,2aR,3aS,4aS)-1a,2a-dimethyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C120 H152 N8 O24 S8 -","8","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.1069","0.0866","","","0.223","0.2415","","","","","","0.985","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021520","7.6464","0.0016","28.747","0.006","7.9681","0.0017","90","","114.656","0.003","90","","1591.8","0.6","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridino-epoxide","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0626","0.0561","","","0.1288","0.1325","","","","","","1.163","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021521","7.0977","0.0016","9.111","0.002","12.314","0.003","101.147","0.003","94.924","0.003","106.198","0.003","742","0.3","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","cis-cyclic-aziridino-epoxy-octane","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C30 H38 N2 O6 S2 -","2","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0561","0.0458","","","0.123","0.1281","","","","","","1.066","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021522","6.136","0.002","9.04","0.003","11.057","0.004","100.788","0.005","97.355","0.006","92.065","0.006","596.4","0.4","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","trans-aziridino-epoxide","","","- C12 H12 N O3 S -","- C12 H12 N O3 S -","- C24 H24 N2 O6 S2 -","2","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0436","0.0406","","","0.1108","0.1128","","","","","","1.121","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021523","8.579","0.006","6.023","0.004","13.59","0.009","90","","96.762","0.011","90","","697.4","0.8","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","trans-aziridino-epoxy-cyclohexane","(1aS,2aS,3aR,4aR)-1a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C28 H34 N2 O6 S2 -","2","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0878","0.0739","","","0.1874","0.1931","","","","","","1.159","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021524","15.656","0.004","19.673","0.005","19.736","0.005","90","","90","","90","","6079","3","296","2","296","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","trnas-aziridino-epoxide","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C240 H304 N16 O48 S16 -","16","2","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.1403","0.1021","","","0.1937","0.2064","","","","","","1.274","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021525","6.1762","0.0014","14.029","0.003","17.742","0.004","90","","90","","90","","1537.2","0.6","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","trans-aziridino-epoxide","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0449","0.0398","","","0.0976","0.0999","","","","","","0.998","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021526","11.247","0.002","15.655","0.003","9.4946","0.0018","90","","107.586","0.003","90","","1593.6","0.5","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridino-epoxide","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0638","0.0533","","","0.1444","0.1511","","","","","","1.163","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021527","8.405","0.003","13.343","0.005","15.028","0.005","90","","90","","90","","1685.3","1","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","cis-aziridino-epoxy-carvone","(1aS,4S,5aS)-1a-methyl-4-{(2R)-2-methyl-1-[(4-methylphenyl) sulfonyl]aziran-2-yl}perhydro-1-benzoxiren-2-one","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0283","0.0273","","","0.0676","0.0682","","","","","","1.096","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021528","6.87","0.003","17.753","0.007","18.14","0.007","90","","90","","90","","2212.4","1.6","293","2","293","2","","","","","","","chemical synthesis","4","P 21 21 21","P 2ac 2ab","19","Fred2003","","","- C23 H21 N3 O7 -","- C23 H21 N3 O7 -","- C92 H84 N12 O28 -","4","1","","Frédéric Peyrane; Michèle Cesario; Pascale Clivio","Photochemical Ring Expansion of 4-Azidouracil: a Route to 5H-1,3,5-Triazepin-2,4-dione in the Nucleoside Series","Journal of Organic Chemistry","2006","71","","1742","1745","10.1021/jo0524066","","","0.71073","MoKα","","0.0615","0.0442","","0.0864","","0.0798","","","1.097","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021529","22.013","0.006","12.712","0.004","19.506","0.006","90","","103.427","0.005","90","","5309","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Cl3 N4 O2 -","- C26 H27 Cl3 N4 O2 -","- C208 H216 Cl24 N32 O16 -","8","2","","Yao-Peng Zhao; Chun-Chang Zhao; Li-Zhu Wu; Li-Ping Zhang; Chen-Ho Tung; Yuan-Jiang Pan","First Fluorescent Sensor for Fluoride Based on 2-Ureido-4[1H]-pyrimidinone Quadruple Hydrogen-Bonded AADD Supramolecular Assembly","Journal of Organic Chemistry","2006","71","","2143","2146","10.1021/jo051932u","","","0.71073","MoKα","","0.1747","0.0774","","","0.2001","0.2688","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021530","13.629","0.003","12.626","0.002","16.359","0.004","90","","105.21","0.02","90","","2716.4","1","294","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O5 Si -","- C28 H35 N O5 Si -","- C112 H140 N4 O20 Si4 -","4","1","","Nicolas Pichon; Anne Harrison-Marchand; Loic Toupet; Jacques Maddaluno","Stereocontrolled Synthesis and Cycloaddition of 1,2,4-Trioxygenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","1892","1901","10.1021/jo0521854","","","0.71069","MoKα","","0.09","0.0446","","","0.113","0.1291","","","","","","1.011","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021531","10.3806","0.0002","14.2036","0.0004","19.7427","0.0005","90","","90","","90","","2910.9","0.12","294","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 O5 Si -","- C31 H36 O5 Si -","- C124 H144 O20 Si4 -","4","1","","Nicolas Pichon; Anne Harrison-Marchand; Loic Toupet; Jacques Maddaluno","Stereocontrolled Synthesis and Cycloaddition of 1,2,4-Trioxygenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","1892","1901","10.1021/jo0521854","","","0.71069","MoKα","","0.1104","0.0507","","","0.1255","0.1577","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021532","9.3229","0.0003","13.8767","0.0005","22.3925","0.0011","90","","90","","90","","2896.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","NOE2","NOE2","","- C12 H21 N O5 -","- C24 H42 N2 O10 -","- C96 H168 N8 O40 -","4","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.0697","0.0522","","","0.1145","0.1252","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021533","9.37","0.0004","13.6508","0.0006","9.424","0.0004","90","","90","","90","","1205.4","0.09","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","noe.mom","noe.mom","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C40 H68 N4 O20 -","4","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.1118","0.0582","","","0.1286","0.1503","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021534","9.3753","0.0002","10.5438","0.0003","13.9897","0.0004","104.501","0.0018","100.171","0.0016","109.029","0.001","1214.26","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","noe-2-7","2-OMOM-1-acetamidociclobutilcarboxilato de metilo","","- C20 H34 N2 O10 -","- C20 H34 N2 O10 -","- C40 H68 N4 O20 -","2","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.1212","0.0732","","","0.1987","0.2339","","","","","","1.048","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021535","7.1537","0.0002","17.2234","0.0006","9.5554","0.0003","90","","96.095","0.002","90","","1170.68","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","etoxi-1-acetamidometoxicarbonilciclobutano","cis-2-etoxi-1-acetamidometoxicarbonilciclobutano","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C40 H68 N4 O16 -","4","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.0981","0.0528","","","0.1293","0.1511","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021536","9.7028","0.0013","10.3326","0.0014","22.559","0.003","90","","90","","90","","2261.7","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","04022a","3-[3R-Benzyl-1-(4-methoxybenzyl)-2-oxo-pyrrolidin-3-yl] -4S-phenyl-oxazolidin-2-one (7a)","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Bhooma Raghavan; Rodney L. Johnson","Short Stereoselective Synthesis of α-Substitute γ-Lactams","Journal of Organic Chemistry","2006","71","","2151","2154","10.1021/jo052212q","","","0.71073","MoKα","","0.0366","0.0282","","","0.0719","0.0785","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021537","9.2415","0.0008","11.7262","0.001","11.7251","0.001","90","","110.305","0.001","90","","1191.66","0.18","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","04208a","(3-[3R-Benzyl-1-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-ylmethyl) -2-oxo-pyrrolidin-3-yl]-4S-phenyl-oxazolidin-2-one (15a)","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C54 H60 N4 O12 -","2","1","","Bhooma Raghavan; Rodney L. Johnson","Short Stereoselective Synthesis of α-Substitute γ-Lactams","Journal of Organic Chemistry","2006","71","","2151","2154","10.1021/jo052212q","","","0.71073","MoKα","","0.0527","0.039","","","0.0881","0.0959","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021538","10.083","0.001","9.6407","0.001","25.028","0.003","90","","101.187","0.002","90","","2386.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O Se -","- C30 H26 O Se -","- C120 H104 O4 Se4 -","4","1","","Min Shi; Jian-Mei Lu","Reactions of Vinylidenecyclopropanes with Diphenyl Diselenide in the Presence of AIBN and Further Transformation To Produce New Naphthalene Derivatives","Journal of Organic Chemistry","2006","71","","1920","1923","10.1021/jo0522613","","","0.71073","MoKα","","0.0889","0.0408","","","0.0769","0.0843","","","","","","0.769","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021539","11.602","0.005","7.431","0.003","14.741","0.006","90","","97.244","0.009","90","","1260.7","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2'S,4a'S,7'R,8a'R)-1-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-2,2,2-trifluoro-1-(4- methoxyphenyl)ethanol.","","- C27 H34 F3 N O3 -","- C27 H34 F3 N O3 -","- C54 H68 F6 N2 O6 -","2","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0512","0.036","","","0.0938","0.1024","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021540","10.061","0.003","12.495","0.003","18.164","0.005","90","","90","","90","","2283.4","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,2'S,4a'S,7'R,8a'R)-2-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-1,1,1-trifluoro-3- methylbutan-2-ol","","- C23 H34 F3 N O2 -","- C23 H34 F3 N O2 -","- C92 H136 F12 N4 O8 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0339","0.0281","","","0.0765","0.0814","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021541","8.22","0.003","9.013","0.003","9.635","0.003","68.718","0.006","74.078","0.006","63.603","0.005","590.3","0.4","298","2","298","2","","","","","","","","5","P 1","P 1","1","","(2S,2'S,4a'S,7'R,8a'R)-2-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-1,1,1-trifluorohexan-2- ol","","- C24 H36 F3 N O2 -","- C24 H36 F3 N O2 -","- C24 H36 F3 N O2 -","1","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0374","0.0361","","","0.1011","0.1033","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021542","6.1368","0.001","22.711","0.004","12.799","0.002","90","","90.663","0.003","90","","1783.7","0.5","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O5 -","- C18.966 H23 N O4.595 -","- C75.864 H92 N4 O18.38 -","4","1","","Jeffrey E. Kropf; Ivona C. Meigh; Magnus W. P. Bebbington; Steven M. Weinreb","Studies on a Total Synthesis of the Microbial Immunosuppresive Agent FR901483","Journal of Organic Chemistry","2006","71","","2046","2055","10.1021/jo052466b","","","0.71073","MoKα","","0.0794","0.0671","","","0.1969","0.207","","","","","","1.096","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021543","10.417","0.004","22.057","0.008","12.115","0.005","90","","90.138","0.011","90","","2783.6","1.8","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C96 H160 N16 O32 -","8","4","","Grant R. Krow; Qiuli Huang; Guoliang Lin; Ryan A. Centafont; Andrew M. Thomas; Deepa Gandla; Charles DeBrosse; Patrick J. Carroll","5-Carboxy-2-azabicyclo[2.1.1]hexanes as Precursors of 5-Halo, Amino, Phenyl, and 2-Methoxycarbonylethyl Methanopyrrolidines","Journal of Organic Chemistry","2006","71","","2090","2098","10.1021/jo052506b","","","0.7107","MoKα","","0.0655","0.0602","","","0.1599","0.1661","","","","","","1.114","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021544","9.9344","0.0011","13.5019","0.0015","10.2111","0.0011","90","","102.034","0.003","90","","1339.5","0.3","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 -","- C11 H17 N5 O3 -","- C44 H68 N20 O12 -","4","1","","Grant R. Krow; Qiuli Huang; Guoliang Lin; Ryan A. Centafont; Andrew M. Thomas; Deepa Gandla; Charles DeBrosse; Patrick J. Carroll","5-Carboxy-2-azabicyclo[2.1.1]hexanes as Precursors of 5-Halo, Amino, Phenyl, and 2-Methoxycarbonylethyl Methanopyrrolidines","Journal of Organic Chemistry","2006","71","","2090","2098","10.1021/jo052506b","","","0.71069","MoKα","","0.0436","0.0387","","","0.0979","0.1021","","","","","","1.043","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021545","6.266","0.0011","11.757","0.002","23.212","0.004","90","","90","","90","","1710.1","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound12","(4S)-4-benzyl-3-[(3S)-spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane] -5-en-3-ylcarbonyl]-1,3-oxazolidin-2-one","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Jeffrey T. Kuethe; Dalian Zhao; Guy R. Humphrey; Michel Journet; Arlene E. McKeown","Asymmetric Diels-Alder Reactions of Chiral Cyclopropylidene Imide Dienophiles: Preparation of gem-Dimethyl- and Spirocyclopropane Norbornyl Carboxylic Acids","Journal of Organic Chemistry","2006","71","","2192","2195","10.1021/jo052516c","","","0.71073","MoKα","","0.0535","0.045","","","0.1121","0.1175","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021546","8.7449","0.0007","9.1351","0.0008","20.2771","0.0017","90","","90","","90","","1619.8","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound22","(3aS,8aR)-3-[(3S)-spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane] -5-en-3-ylcarbonyl]-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazo-2-one","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Jeffrey T. Kuethe; Dalian Zhao; Guy R. Humphrey; Michel Journet; Arlene E. McKeown","Asymmetric Diels-Alder Reactions of Chiral Cyclopropylidene Imide Dienophiles: Preparation of gem-Dimethyl- and Spirocyclopropane Norbornyl Carboxylic Acids","Journal of Organic Chemistry","2006","71","","2192","2195","10.1021/jo052516c","","","0.71073","MoKα","","0.0368","0.0336","","","0.0847","0.0869","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021547","10.563","0.002","9.546","0.002","19.385","0.004","90","","105.19","0.03","90","","1886.4","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O -","- C25 H22 O -","- C100 H88 O4 -","4","1","","W. Brian Jennings; Brid M. Farrell; John F. Malone","Stereodynamics and Edge-to-Face CH-π Aromatic Interactions in o-Phenethyl-Substituted Biaryls","Journal of Organic Chemistry","2006","71","","2277","2282","10.1021/jo0520902","","","1.54178","CuKα","","0.0635","0.0455","","","0.1118","0.1229","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021548","7.5263","0.0015","16.602","0.003","7.8093","0.0016","90","","98.89","0.03","90","","964.1","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 O -","- C26 H24 O -","- C52 H48 O2 -","2","1","","W. Brian Jennings; Brid M. Farrell; John F. Malone","Stereodynamics and Edge-to-Face CH-π Aromatic Interactions in o-Phenethyl-Substituted Biaryls","Journal of Organic Chemistry","2006","71","","2277","2282","10.1021/jo0520902","","","1.54178","CuKα","","0.0491","0.0429","","","0.1115","0.1166","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021549","59.445","0.003","10.5079","0.0005","25.8107","0.0011","90","","95.554","0.002","90","","16046.8","1.3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C96 H100 O20 -","- C96 H100 O20 -","- C768 H800 O160 -","8","2","","Enrique M. Rubio; M. Isabel García-Moreno; Patricia Balbuena; Fernando J. Lahoz; Eleuterio Álvarez; Carmen Ortiz Mellet; José M. García Fernández","Spacer-Mediated Synthesis of Contra-Thermodynamic Spiroacetals: Stereoselective Synthesis of C~2~-Symmetric Difructose Dianhydrides","Journal of Organic Chemistry","2006","71","","2257","2266","10.1021/jo052184b","","","0.6934","synchrotron","","0.1122","0.0874","","","0.2239","0.2532","","","","","","1.063","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021550","13.3529","0.001","16.269","0.0012","18.2496","0.0016","85.878","0.005","86.844","0.004","70.947","0.005","3735.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H73 F24 N7 O6 P4 -","- C70 H73 F23.992 N7 O6 P4 -","- C140 H146 F47.984 N14 O12 P8 -","2","1","","Pin-Nan Cheng; Po-Yi Huang; Wan-Sheung Li; Shau-Hua Ueng; Wei-Chung Hung; Yi-Hung Liu; Chien-Chen Lai; Yu Wang; Shie-Ming Peng; Ito Chao; Sheng-Hsien Chiu","Is [N^+^-H···O] Hydrogen Bonding the Most Important Noncovalent Interaction in Macrocycle-Dibenzylammonium Ion Complexes?","Journal of Organic Chemistry","2006","71","","2373","2383","10.1021/jo052411+","","","0.71073","MoKα","","0.1743","0.0669","","","0.1533","0.204","","","","","","0.987","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021551","22.0478","0.0004","23.4873","0.0007","13.2064","0.0006","90","","94.884","0.001","90","","6814","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H69 F24 N5 O7 P4 -","- C65 H69 F24 N5 O7 P4 -","- C260 H276 F96 N20 O28 P16 -","4","1","","Pin-Nan Cheng; Po-Yi Huang; Wan-Sheung Li; Shau-Hua Ueng; Wei-Chung Hung; Yi-Hung Liu; Chien-Chen Lai; Yu Wang; Shie-Ming Peng; Ito Chao; Sheng-Hsien Chiu","Is [N^+^-H···O] Hydrogen Bonding the Most Important Noncovalent Interaction in Macrocycle-Dibenzylammonium Ion Complexes?","Journal of Organic Chemistry","2006","71","","2373","2383","10.1021/jo052411+","","","0.71073","MoKα","","0.1793","0.0599","","","0.136","0.1672","","","","","","0.848","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021552","8.39","0.003","18.948","0.007","13.886","0.005","90","","103.889","0.007","90","","2143","1.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O8 -","- C23 H22 O8 -","- C92 H88 O32 -","4","1","","Vijay Nair; Ani Deepthi; Manojkumar Poonoth; Bindu Santhamma; Sreekumar Vellalath; Beneesh Pattoorpady Babu; Resmi Mohan; Eringathodi Suresh","Reaction of Dimethoxycarbene-DMAD Zwitterion with 1,2-Diones and Anhydrides: A Novel Synthesis of Highly Substituted Dihydrofurans and Spirodihydrofurans","Journal of Organic Chemistry","2006","71","","2313","2319","10.1021/jo052429k","","","0.71073","MoKα","","0.064","0.0549","","","0.1313","0.1363","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021553","38.507","0.003","11.0686","0.0008","13.5293","0.001","90","","90","","90","","5766.5","0.7","300","2","273","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C30 H32 O10 -","- C30 H32 O10 -","- C240 H256 O80 -","8","1","","Vijay Nair; Ani Deepthi; Manojkumar Poonoth; Bindu Santhamma; Sreekumar Vellalath; Beneesh Pattoorpady Babu; Resmi Mohan; Eringathodi Suresh","Reaction of Dimethoxycarbene-DMAD Zwitterion with 1,2-Diones and Anhydrides: A Novel Synthesis of Highly Substituted Dihydrofurans and Spirodihydrofurans","Journal of Organic Chemistry","2006","71","","2313","2319","10.1021/jo052429k","","","0.71073","MoKα","","0.0864","0.0665","","","0.1528","0.1639","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021554","10.495","0.002","11.003","0.002","11.888","0.003","102.636","0.014","115.823","0.01","102.89","0.01","1123.8","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O3 -","- C27 H25 N3 O3 -","- C54 H50 N6 O6 -","2","1","","Esen Bellur; Helmar Görls; Peter Langer","Domino Reactions of 1,2-Diimidoyl-1,2-dichloroethanes. Synthesis of 3-Imino-1,2-dithia-3H-cyclopent-4-enes, 3-Amino-2-thioxo-2,5H-pyrrol-5-ones, 2,3-Diamino-4-thioxo-4H-thiopyrans, and 6-Imino-6H-1,3-oxazines","Journal of Organic Chemistry","2006","71","","2332","2338","10.1021/jo052450l","","","0.71073","MoKα","","0.0637","0.0414","","","0.1093","0.1156","","","","","","0.985","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021555","7.4665","0.0002","14.5957","0.0004","16.4508","0.0005","90","","90","","90","","1792.79","0.09","183","2","183","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C80 H80 N8 O4 S4 -","4","1","","Esen Bellur; Helmar Görls; Peter Langer","Domino Reactions of 1,2-Diimidoyl-1,2-dichloroethanes. Synthesis of 3-Imino-1,2-dithia-3H-cyclopent-4-enes, 3-Amino-2-thioxo-2,5H-pyrrol-5-ones, 2,3-Diamino-4-thioxo-4H-thiopyrans, and 6-Imino-6H-1,3-oxazines","Journal of Organic Chemistry","2006","71","","2332","2338","10.1021/jo052450l","","","0.71073","MoKα","","0.0515","0.0423","","","0.1018","0.1083","","","","","","1.038","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021556","21.8453","0.0005","7.9252","0.0002","12.0822","0.0002","90","","99.811","0.001","90","","2061.18","0.08","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O3 S2 -","- C22 H22 N2 O3 S2 -","- C88 H88 N8 O12 S8 -","4","1","","Esen Bellur; Helmar Görls; Peter Langer","Domino Reactions of 1,2-Diimidoyl-1,2-dichloroethanes. Synthesis of 3-Imino-1,2-dithia-3H-cyclopent-4-enes, 3-Amino-2-thioxo-2,5H-pyrrol-5-ones, 2,3-Diamino-4-thioxo-4H-thiopyrans, and 6-Imino-6H-1,3-oxazines","Journal of Organic Chemistry","2006","71","","2332","2338","10.1021/jo052450l","","","0.71073","MoKα","","0.0616","0.0434","","","0.1096","0.1191","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021557","15.937","0.005","7.227","0.003","10.649","0.003","90","","91","0.02","90","","1226.3","0.7","295","2","295","2","","","","","","","see text","3","P 1 21/a 1","-P 2yab","14","Hypodermin B","1RS-Hydroxy-6,6-dimethyl-7,8-dihydronaphtho[1,2-c]furan-3,9(1H,6H)-dione","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Luke C. Henderson; Wendy A. Loughlin; Ian D. Jenkins; Peter C. Healy; Marc R. Campitelli","Efficient Formal Synthesis of (±)-Hyphodermin B","Journal of Organic Chemistry","2006","71","","2384","2388","10.1021/jo052485l","","","0.71069","MoKα","","0.1238","0.0666","","","0.1823","0.2182","","","","","","1.035","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021558","18.193","0.005","11.808","0.003","9.98","0.003","90","","90","","90","","2143.9","1","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H29 B F2 N2 O2 -","- C21 H29 B F2 N2 O2 -","- C84 H116 B4 F8 N8 O8 -","4","0.5","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.1235","0.1095","","","0.1916","0.1972","","","","","","1.331","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021559","7.2512","0.0015","10.18","0.002","15.873","0.003","90","","91.287","0.004","90","","1171.4","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 B F2 N2 O2 -","- C12 H11 B F2 N2 O2 -","- C48 H44 B4 F8 N8 O8 -","4","1","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.0949","0.0802","","","0.1531","0.1593","","","","","","1.261","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021560","8.465","0.0011","15.953","0.002","7.1898","0.001","90","","112.498","0.002","90","","897","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B F2 N O2 -","- C8 H8 B F2 N O2 -","- C32 H32 B4 F8 N4 O8 -","4","1","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.0575","0.0508","","","0.1126","0.1158","","","","","","1.143","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021561","13.2822","0.0017","10.0025","0.0013","19.084","0.002","90","","93.46","0.002","90","","2530.7","0.6","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 B F2 N2 O2 -","- C13 H13 B F2 N2 O2 -","- C104 H104 B8 F16 N16 O16 -","8","1","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.0548","0.0487","","","0.1176","0.122","","","","","","1.03","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021562","12.314","0.009","5.395","0.004","23.491","0.009","90","","99.5","0.05","90","","1539.1","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","0.71069","MoKα","","0.0861","0.066","","","0.1716","0.1896","","","","","","0.995","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021563","8.2907","0.0007","25.267","0.002","9.8863","0.001","90","","92.895","0.007","90","","2068.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl N O3 S -","- C22 H30 Cl N O3 S -","- C88 H120 Cl4 N4 O12 S4 -","4","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0368","0.0346","","","0.0975","0.0996","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021564","12.0277","0.0008","8.1746","0.0006","32.402","0.002","90","","92.259","0.002","90","","3183.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21.5 N O3.25 S -","- C15 H21 N O3.25 S -","- C120 H168 N8 O26 S8 -","8","2","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","0.71069","MoKα","","0.0873","0.0703","","","0.1538","0.1636","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021565","37.0373","0.0005","8.1352","0.0001","17.3169","0.0003","90","","112.948","0.001","90","","4804.75","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 N O3 S -","- C27 H29 N O3 S -","- C216 H232 N8 O24 S8 -","8","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0505","0.045","","","0.1242","0.1296","","","","","","1.031","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021566","11.702","0.007","19.771","0.011","8.26","0.003","91.731","0.007","94.46","0.02","78.626","0.009","1867.6","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl N O3.5 S -","- C16 H25 Cl N O3.5 S -","- C64 H100 Cl4 N4 O14 S4 -","4","2","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","0.71069","MoKα","","0.1201","0.0711","","","0.1741","0.2066","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021567","12.7573","0.0002","7.1769","0.0001","18.2639","0.0003","90","","103.375","0.001","90","","1626.85","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 N O4 S -","- C15 H23 N O4 S -","- C60 H92 N4 O16 S4 -","4","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0591","0.0534","","","0.1459","0.1529","","","","","","1.06","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021568","7.1655","0.0005","12.5023","0.0008","12.5225","0.0008","72.821","0.004","73.935","0.005","80.046","0.005","1024.84","0.12","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cl N O3 S -","- C22 H30 Cl N O3 S -","- C44 H60 Cl2 N2 O6 S2 -","2","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0489","0.0455","","","0.1284","0.1331","","","","","","1.05","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021569","10.6258","0.0005","14.2621","0.0007","13.7374","0.0007","90","","104.524","0.001","90","","2015.32","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O6 S -","- C20 H20 N2 O6 S -","- C80 H80 N8 O24 S4 -","4","1","","Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen","Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion","Journal of Organic Chemistry","2006","71","","2360","2372","10.1021/jo052535m","","","0.71073","MoKα","","0.1096","0.078","","","0.1958","0.2067","","","","","","1.476","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021570","7.471","0.0005","12.1457","0.0008","12.2613","0.0008","72.842","0.001","89.109","0.002","78.209","0.002","1039.46","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 S -","- C21 H21.22 N2 O6 S -","- C42 H42.44 N4 O12 S2 -","2","1","","Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen","Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion","Journal of Organic Chemistry","2006","71","","2360","2372","10.1021/jo052535m","","","0.71073","MoKα","","0.1169","0.0905","","","0.2154","0.2242","","","","","","1.619","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021571","9.139","0.0014","19.074","0.004","26.46","0.004","90","","90","","90","","4612.5","1.3","295","2","295","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C12 H22 O -","- C12 H22 O -","- C192 H352 O16 -","16","","","Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen","Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion","Journal of Organic Chemistry","2006","71","","2360","2372","10.1021/jo052535m","","","0.71073","MoKα","","0.0911","0.0585","","","0.1302","0.1436","","","","","","1.016","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021572","7.949","0.001","10.221","0.002","19.48","0.002","90","0.01","90","0.009","90","0.01","1582.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl (2aS,7S,7aR,7bR)-7-tert-Butoxy-2a-chlorohexahydro cyclobuta[d]pyrrolo[1,2-b]isoxazole-7b-(1H)-carboxylate","","- C14 H22 Cl N O4 -","- C14 H22 Cl N O4 -","- C56 H88 Cl4 N4 O16 -","4","1","","Julia Revuelta; Stefano Cicchi; Cristina Faggi; Sergei I. Kozhushkov; Armin de Meijere; Alberto Brandi","Synthesis of Enantiopure Indolizinones by Cascade Ring Enlargements of 4'-Chlorospiro[cyclopropane-1,5'-isoxazolidines]","Journal of Organic Chemistry","2006","71","","2417","2423","10.1021/jo052564x","","","0.71073","MoKα","","0.0939","0.0646","","","0.153","0.1724","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021573","10.5576","0.0002","16.3112","0.0005","10.9369","0.0003","90","","108.886","0.002","90","","1782.02","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 O P -","- C9 H11 O P -","- C72 H88 O8 P8 -","8","4","","Marco Oliana; Frank King; Peter N. Horton; M. B. Hursthouse; King Kuok (Mimi) Hii","Practical Synthesis of Chiral Vinylphosphine Oxides by Direct Nucleophilic Substitution. Stereodivergent Synthesis of Aminophosphine Ligands","Journal of Organic Chemistry","2006","71","","2472","2479","10.1021/jo052575q","","","0.71073","MoKα","","0.0516","0.0402","","","0.0933","0.0984","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021574","8.8844","0.0002","9.2378","0.0002","11.7132","0.0003","90","","90","","90","","961.33","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 O P -","- C10 H13 O P -","- C40 H52 O4 P4 -","4","1","","Marco Oliana; Frank King; Peter N. Horton; M. B. Hursthouse; King Kuok (Mimi) Hii","Practical Synthesis of Chiral Vinylphosphine Oxides by Direct Nucleophilic Substitution. Stereodivergent Synthesis of Aminophosphine Ligands","Journal of Organic Chemistry","2006","71","","2472","2479","10.1021/jo052575q","","","0.71073","MoKα","","0.0305","0.0273","","","0.0653","0.0671","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021575","22.9793","0.0017","5.2856","0.0004","34.382","0.003","90","","90","","90","","4176.1","0.5","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C216 H168 N24 O16 -","8","2","","Lori I. Robins; Richard D. Carpenter; James C. Fettinger; Makhluf J. Haddadin; Dino S. Tinti; Mark J. Kurth","Diazocinones: Synthesis and Conformational Analysis","Journal of Organic Chemistry","2006","71","","2480","2485","10.1021/jo052577a","","","0.71073","MoKα","","0.0702","0.0496","","","0.1072","0.1161","","","","","","1.011","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021576","19.899","0.001","20.987","0.001","21.619","0.001","90","","111.143","0.001","90","","8420.8","0.8","100","2","100","2","","","","","","","","10","C 1 2 1","C 2y","5","","","","- C38.5 H48 Cl3 F6 Fe N O P Pd Sb -","- C38.5 H48 Cl3 F6 Fe N O P Pd Sb -","- C308 H384 Cl24 F48 Fe8 N8 O8 P8 Pd8 Sb8 -","8","2","","Felix M. Geisler; Günter Helmchen","Chiral Phosphinooxazolines with a Pentamethylferrocene Backbone- Synthesis and Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","2486","2492","10.1021/jo0526136","","","0.71073","MoKα","","0.0319","0.0271","","","0.0625","0.0645","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021577","9.708","0.0007","19.346","0.001","20.884","0.002","90","","90","","90","","3922.2","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C40 H49 F6 Fe N O P Pd Sb -","- C40 H49 F6 Fe N O P Pd Sb -","- C160 H196 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","4","1","","Felix M. Geisler; Günter Helmchen","Chiral Phosphinooxazolines with a Pentamethylferrocene Backbone- Synthesis and Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","2486","2492","10.1021/jo0526136","","","0.71073","MoKα","","0.0314","0.028","","","0.0644","0.0656","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021578","9.5017","0.0006","9.8087","0.0009","11.8467","0.0013","92.425","0.014","98.361","0.009","113.223","0.009","997.81","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C42 H54 N2 O12 -","2","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.059","0.0483","","","0.1274","0.1347","","","","","","1.036","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021579","9.671","0.003","10.877","0.004","11.586","0.004","87.23","0.03","84.82","0.03","69.79","0.03","1138.8","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C46 H56 O14 -","2","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.0963","0.0732","","","0.1972","0.2168","","","","","","1.017","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021580","15.2133","0.0014","11.0199","0.001","10.072","0.002","90","","100.85","0.012","90","","1658.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.0818","0.0709","","","0.1911","0.2003","","","","","","1.068","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021581","11.822","0.004","10.17","0.003","20.703","0.004","90","","90","","90","","2489.1","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C112 H88 N8 O48 -","8","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.0672","0.0541","","","0.1484","0.1586","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021582","14.19","0.007","16.347","0.007","12.433","0.008","90","","93.14","0.05","90","","2880","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 O8 -","- C31 H36 O8 -","- C124 H144 O32 -","4","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.1088","0.088","","","0.2403","0.2681","","","","","","1.033","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021583","19.1965","0.0008","19.6566","0.0008","28.9209","0.0011","90","","90","","90","","10913","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H72 O15 -","- C52 H72 O15 -","- C416 H576 O120 -","8","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54248","CuKα","","0.1291","0.1078","","","0.2116","0.2221","","","","","","1.453","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021584","8.2262","0.0012","32.985","0.005","9.6563","0.0014","90","","101.254","0.003","90","","2569.8","0.7","298","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 N O3 Si -","- C25 H39 N O3 Si -","- C100 H156 N4 O12 Si4 -","4","1","","Yan Zhang; Yongqiang Wang; Wei-Min Dai","Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides","Journal of Organic Chemistry","2006","71","","2445","2455","10.1021/jo0526486","","","0.71069","MoKα","","","0.0484","","","","0.0976","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021585","7.9142","0.0006","15.37","0.0013","13.0993","0.0011","90","","99.019","0.002","90","","1573.7","0.2","100","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H41 N O6 -","- C35 H41 N O6 -","- C70 H82 N2 O12 -","2","1","","Yan Zhang; Yongqiang Wang; Wei-Min Dai","Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides","Journal of Organic Chemistry","2006","71","","2445","2455","10.1021/jo0526486","","","0.71069","MoKα","","","0.0654","","","","0.1142","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021586","14.0513","0.0009","14.5754","0.0009","15.3593","0.0009","90","","113.306","0.001","90","","2889","0.3","100","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H39 N O6 -","- C30 H39 N O6 -","- C120 H156 N4 O24 -","4","2","","Yan Zhang; Yongqiang Wang; Wei-Min Dai","Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides","Journal of Organic Chemistry","2006","71","","2445","2455","10.1021/jo0526486","","","0.71069","MoKα","","","0.0558","","","","0.1017","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021587","11.1336","0.001","8.6732","0.001","12.584","0.001","90","","111.078","0.004","90","","1133.86","0.19","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","Paquette 1399","","","- C10 H9 Br2 N O2 S -","- C10 H9 Br2 N O2 S -","- C40 H36 Br8 N4 O8 S4 -","4","1","","Robert D. Dura; Leo A. Paquette","Ring Contraction of Bridgehead Sultams by Photoinduced Di-π-methane Rearrangement","Journal of Organic Chemistry","2006","71","","2456","2459","10.1021/jo0526587","","x-ray","0.71073","MoKα","","0.0426","0.0346","","","0.0816","0.0857","","","","","","1.168","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021588","9.2219","0.0005","10.6484","0.0005","17.6602","0.0009","90","","90","","90","","1734.2","0.15","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 I N S2 -","- C16 H26 I N S2 -","- C64 H104 I4 N4 S8 -","4","1","","Amos B. Smith, III; Dae-Shik Kim","A General, Convergent Strategy for the Construction of Indolizidine Alkaloids: Total Syntheses of (-)-Indolizidine 223AB and Alkaloid (-)-205B","Journal of Organic Chemistry","2006","71","","2547","2557","10.1021/jo052314g","","","0.71069","MoKα","","0.0201","0.0197","","","0.0466","0.0469","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021589","10.616","0.003","6.7014","0.0018","10.72","0.003","90","","98.568","0.002","90","","754.1","0.4","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O S2 -","- C15 H23 N O S2 -","- C30 H46 N2 O2 S4 -","2","1","","Amos B. Smith, III; Dae-Shik Kim","A General, Convergent Strategy for the Construction of Indolizidine Alkaloids: Total Syntheses of (-)-Indolizidine 223AB and Alkaloid (-)-205B","Journal of Organic Chemistry","2006","71","","2547","2557","10.1021/jo052314g","","","0.71069","MoKα","","0.0417","0.0365","","","0.0818","0.0873","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021590","11.612","0.0008","12.0439","0.0008","15.4007","0.001","71.055","0.001","82.179","0.001","74.449","0.001","1959.8","0.2","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 F6 N2 O10 S2 -","- C39 H34 F6 N2 O10 S2 -","- C78 H68 F12 N4 O20 S4 -","2","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0674","0.0581","","","0.1622","0.1726","","","","","","1.037","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021591","10.3548","0.0005","10.9171","0.0005","23.6507","0.0012","90","","100.572","0.001","90","","2628.2","0.2","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F3 N O8 S -","- C26 H26 F3 N O8 S -","- C104 H104 F12 N4 O32 S4 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0594","0.0388","","","0.088","0.1001","","","","","","1.016","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4021592","17.3671","0.0006","9.9897","0.0004","21.4536","0.0008","90","","107.871","0.001","90","","3542.4","0.2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 F3 N2 O7 S -","- C38 H35 F3 N2 O7 S -","- C152 H140 F12 N8 O28 S4 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0752","0.0448","","","0.0951","0.1122","","","","","","1.028","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021593","36.9551","0.0017","7.1733","0.0003","27.3839","0.0013","90","","129.196","0.001","90","","5625.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 F3 N2 O7 S -","- C27 H29 F3 N2 O7 S -","- C216 H232 F24 N16 O56 S8 -","8","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0745","0.0535","","","0.1267","0.1399","","","","","","1.047","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021594","5.9464","0.0004","27.0732","0.0016","11.6485","0.0007","90","","97.713","0.001","90","","1858.3","0.2","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0559","0.041","","","0.0976","0.1067","","","","","","1.02","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021595","17.154","0.002","11.0034","0.0015","9.1402","0.0013","90","","99.719","0.002","90","","1700.5","0.4","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0842","0.0603","","","0.1469","0.1625","","","","","","1.08","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021596","14.2781","0.0006","7.141","0.0003","25.8872","0.001","90","","102.004","0.001","90","","2581.74","0.18","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N O5 -","- C31 H29 N O5 -","- C124 H116 N4 O20 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Contiguous Quaternary Carbon Stereocenters by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2600","2608","10.1021/jo0523363","","","0.71073","MoKα","","0.0795","0.041","","","0.0866","0.1062","","","","","","1.026","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021597","12.552","0.002","20.667","0.004","17.58","0.003","90","","110.226","0.003","90","","4279.3","1.2","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 N2 O4 Si2 -","- C46 H56 N2 O4 Si2 -","- C184 H224 N8 O16 Si8 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Contiguous Quaternary Carbon Stereocenters by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2600","2608","10.1021/jo0523363","","","0.71073","MoKα","","0.0818","0.0673","","","0.1687","0.1795","","","","","","1.125","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021598","10.2084","0.0005","11.64","0.0006","13.0573","0.0006","110.317","0.001","97.001","0.001","113.599","0.001","1270.4","0.11","158","2","158","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 N2 O2 -","- C34 H30 N2 O2 -","- C68 H60 N4 O4 -","2","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Contiguous Quaternary Carbon Stereocenters by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2600","2608","10.1021/jo0523363","","","0.71073","MoKα","","0.0626","0.0422","","","0.0975","0.1054","","","","","","1.04","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021599","22.432","0.005","17.535","0.005","14.577","0.005","90","0.005","106.457","0.005","90","0.005","5499","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H62 Cl2 N2 O9 -","- C65 H62 Cl2 N2 O9 -","- C260 H248 Cl8 N8 O36 -","4","1","","Menozzi, Edoardo; Busi, Marco; Massera, Chiara; Ugozzoli, Franco; Zuccaccia, Daniele; Macchioni, Alceo; Dalcanale, Enrico","Metal-Directed Self-Assembly of Cavitand Frameworks","Journal of Organic Chemistry","2006","71","7","2617","2624","10.1021/jo052460m","","","1.54184","CuKα","","0.1007","0.0738","","","0.2124","0.2323","","","","","","1.051","","","","has coordinates","219239","2020-10-21","18:00:00",""
"4021600","23.56","0.08","8.59","0.03","17.47","0.06","90","","129","0.1","90","","2746","16","123.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C144 H120 N24 O16 -","8","1","","Kazuhiro Igarashi; Yohei Yamaguchi; Yuhki Mitsumoto; Shin-ichi Naya; Makoto Nitta","Synthesis, Properties, and NAD^+^-NADH-Type Redox Ability of 14-Substituted 1,3-Dimethyl-5,10-methanocycloundeca[4,5]pyrrolo [2,3-d]pyrimidine-2,4(1,3H)-dionylium Tetrafluoroborates and Their Hydride Adducts","Journal of Organic Chemistry","2006","71","","2690","2698","10.1021/jo052495m","","","0.7107","MoKα","","","0.089","","","","0.13","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021601","7.481","0.003","10.144","0.004","12.684","0.005","88.68","0.03","87.48","0.03","113.86","0.03","878.6","0.6","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 B F4 N3 O2 -","- C19 H18 B F4 N3 O2 -","- C38 H36 B2 F8 N6 O4 -","2","1","","Kazuhiro Igarashi; Yohei Yamaguchi; Yuhki Mitsumoto; Shin-ichi Naya; Makoto Nitta","Synthesis, Properties, and NAD^+^-NADH-Type Redox Ability of 14-Substituted 1,3-Dimethyl-5,10-methanocycloundeca[4,5]pyrrolo [2,3-d]pyrimidine-2,4(1,3H)-dionylium Tetrafluoroborates and Their Hydride Adducts","Journal of Organic Chemistry","2006","71","","2690","2698","10.1021/jo052495m","","","0.7107","MoKα","","","0.033","","","","0.046","","","","","","1.267","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021602","17.01","0.02","8.178","0.008","21.42","0.02","90","","90","","90","","2980","5","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C152 H152 N24 O16 -","8","1","","Kazuhiro Igarashi; Yohei Yamaguchi; Yuhki Mitsumoto; Shin-ichi Naya; Makoto Nitta","Synthesis, Properties, and NAD^+^-NADH-Type Redox Ability of 14-Substituted 1,3-Dimethyl-5,10-methanocycloundeca[4,5]pyrrolo [2,3-d]pyrimidine-2,4(1,3H)-dionylium Tetrafluoroborates and Their Hydride Adducts","Journal of Organic Chemistry","2006","71","","2690","2698","10.1021/jo052495m","","","0.7107","MoKα","","","0.038","","","","0.045","","","","","","1.018","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021603","9.4851","0.0005","9.7208","0.0005","14.4288","0.0008","90","","107.39","0.003","90","","1269.57","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O2 S2 -","- C12 H20 O2 S2 -","- C48 H80 O8 S8 -","4","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.086","0.0757","","","0.1889","0.1964","","","","","","1.049","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021604","7.6871","0.0003","16.3111","0.0006","18.5766","0.0009","90","","90","","90","","2329.23","0.17","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O2 S2 -","- C11 H18 O2 S2 -","- C88 H144 O16 S16 -","8","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.0616","0.0446","","","0.0988","0.1069","","","","","","1.054","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021605","9.7096","0.0002","9.007","0.0003","12.966","0.0003","90","","110.406","0.002","90","","1062.77","0.05","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O2 S2 -","- C10 H14 O2 S2 -","- C40 H56 O8 S8 -","4","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.0408","0.038","","","0.1112","0.1142","","","","","","1.101","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021606","10.556","","10.556","","16.477","","90","","90","","120","","1590","","180","2","180","2","","","","","","","","5","P 31","P 31","144","","","","- C19 H29 N O3 S3 -","- C19 H29 N O3 S3 -","- C57 H87 N3 O9 S9 -","3","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.0435","0.038","","","0.1063","0.113","","","","","","1.174","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021607","13.91","0.005","13.723","0.005","14.141","0.005","90","","107.326","0.006","90","","2577","1.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 B F2 N3 O4 -","- C27 H24 B F2 N3 O4 -","- C108 H96 B4 F8 N12 O16 -","4","0.5","","Xin Qi; Eun Jin Jun; Li Xu; Sung-Jin Kim; Jay Sung Joong Hong; Yeo Joon Yoon; Juyoung Yoon","New BODIPY Derivatives as OFF-ON Fluorescent Chemosensor and Fluorescent Chemodosimeter for Cu^2+^: Cooperative Selectivity Enhancement toward Cu^2+^","Journal of Organic Chemistry","2006","71","","2881","2884","10.1021/jo052542a","","","0.71073","MoKα","","0.0844","0.0733","","","0.2197","0.2305","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021608","14.3644","0.0011","7.036","0.0006","21.5242","0.0018","90","","90.866","0.002","90","","2175.2","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 B F2 N3 O2 -","- C23 H22 B F2 N3 O2.01 -","- C92 H88 B4 F8 N12 O8.04 -","4","1","","Xin Qi; Eun Jin Jun; Li Xu; Sung-Jin Kim; Jay Sung Joong Hong; Yeo Joon Yoon; Juyoung Yoon","New BODIPY Derivatives as OFF-ON Fluorescent Chemosensor and Fluorescent Chemodosimeter for Cu^2+^: Cooperative Selectivity Enhancement toward Cu^2+^","Journal of Organic Chemistry","2006","71","","2881","2884","10.1021/jo052542a","","","0.71073","MoKα","","0.0896","0.063","","","0.1881","0.2111","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021609","7.365","0.0015","12.969","0.003","9.831","0.002","90","","96.68","0.03","90","","932.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C38 H48 N4 O6 -","2","1","","Dusan Hesek; Bruce C. Noll; Shahriar Mobashery","Side Reaction of Significance in Preparation of Peptide- or Peptidomimetic-Based Hydroxamate Enzyme Inhibitors","Journal of Organic Chemistry","2006","71","","2885","2887","10.1021/jo052546f","","","0.71073","MoKα","","0.0303","0.0301","","","0.0845","0.0849","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021610","11.208","0.004","13.751","0.001","11.681","0.002","90","","108.96","0.02","90","","1702.6","0.7","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F6 O -","- C20 H20 F6 O -","- C80 H80 F24 O4 -","4","1","","Julia Leuger; Gaëlle Blond; Roland Fröhlich; Thierry Billard; Günter Haufe; Bernard R. Langlois","Synthetic Applications of α-Fluoroalkylated Enones. 1. Use as Dienophiles in Diels-Alder Cycloadditions","Journal of Organic Chemistry","2006","71","","2735","2739","10.1021/jo052567+","","","1.54178","CuKα","","0.0748","0.046","","","0.1304","0.1425","","","","","","1.004","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021611","7.985","0.002","11.404","0.002","12.996","0.003","113.74","0.03","92.24","0.03","104.11","0.03","1038","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","10-benzyloxy-1,2,3-trimethoxy-6,7-(methylene-1,3-dioxy) anthracene","","- C25 H22 O6 -","- C25 H22 O6 -","- C50 H44 O12 -","2","1","","Piotr Bałczewski; Marek Koprowski; Agnieszka Bodzioch; Bernard Marciniak; Ewa Róžycka-Sokołowska","Unusual Transformation of the Diarylmethanol Derivative into an Unknown 1,2,3,6,7,10-Hexahydroxylated Anthracene System","Journal of Organic Chemistry","2006","71","","2899","2902","10.1021/jo052599x","","","1.5418","CuKα","","0.0609","0.0549","","","0.1484","0.1548","","","","","","1.056","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021612","12.252","0.004","13.211","0.004","17.676","0.005","90","","102.16","0.02","90","","2796.9","1.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 N4 O3 S -","- C27 H40 N4 O3 S -","- C108 H160 N16 O12 S4 -","4","1","","Alexey P. Ilyn; Marina V. Loseva; Vladimir Y. Vvedensky; Elena B. Putsykina; Sergey E. Tkachenko; Dmitri V. Kravchenko; Alexandr V. Khvat; Mikhail Y. Krasavin; Alexandre V. Ivachtchenko","One-Step Assembly of Carbamoyl-Substituted Heteroannelated [1,4]Thiazepines","Journal of Organic Chemistry","2006","71","","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.1816","0.0467","","","0.0835","0.0922","","","","","","0.867","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021613","12.193","0.0014","12.6276","0.0016","15.837","0.002","90","","99.091","0.003","90","","2407.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N3 O4 S -","- C26 H29 N3 O4 S -","- C104 H116 N12 O16 S4 -","4","1","","Alexey P. Ilyn; Marina V. Loseva; Vladimir Y. Vvedensky; Elena B. Putsykina; Sergey E. Tkachenko; Dmitri V. Kravchenko; Alexandr V. Khvat; Mikhail Y. Krasavin; Alexandre V. Ivachtchenko","One-Step Assembly of Carbamoyl-Substituted Heteroannelated [1,4]Thiazepines","Journal of Organic Chemistry","2006","71","","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.0912","0.0531","","","0.1016","0.1108","","","","","","1.071","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021614","10.96","0.002","11.071","0.0019","11.696","0.002","78.064","0.006","67.686","0.005","72.148","0.006","1243.1","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N3 O3 S2 -","- C28 H27 N3 O3 S2 -","- C56 H54 N6 O6 S4 -","2","1","","Alexey P. Ilyn; Marina V. Loseva; Vladimir Y. Vvedensky; Elena B. Putsykina; Sergey E. Tkachenko; Dmitri V. Kravchenko; Alexandr V. Khvat; Mikhail Y. Krasavin; Alexandre V. Ivachtchenko","One-Step Assembly of Carbamoyl-Substituted Heteroannelated [1,4]Thiazepines","Journal of Organic Chemistry","2006","71","","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.0862","0.0589","","","0.1203","0.1284","","","","","","1.062","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021615","8.7276","0.0001","10.6514","0.0001","21.8479","0.0002","90","","90","","90","","2031.01","0.04","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N O7 P -","- C16 H28 N O7 P -","- C64 H112 N4 O28 P4 -","4","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54184","CuKα","","0.0481","0.046","","0.1286","","0.1264","","","1.016","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021616","10.106","0.003","10.272","0.004","19.673","0.006","90","","90","","90","","2042.2","1.2","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N O7 P -","- C16 H28 N O7 P -","- C64 H112 N4 O28 P4 -","4","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54184","CuKα","","0.039","0.0369","","0.103","","0.1015","","","1.041","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021617","12.4409","0.0002","6.8426","0.0001","19.0551","0.0003","90","","93.003","0.001","90","","1619.9","0.04","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C32 H43 N2 O9 P -","- C32 H43 N2 O9 P -","- C64 H86 N4 O18 P2 -","2","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54178","CuKα","","0.0707","0.0601","","","0.1449","0.1498","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021618","7.3743","0.0009","10.88","0.0013","13.1998","0.0016","86.359","0.002","78.295","0.002","78.992","0.002","1017.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Br N O4 -","- C22 H28 Br N O4 -","- C44 H56 Br2 N2 O8 -","2","1","","Douglass F. Taber; Karen V. Taluskie","Computationally Guided Organometallic Chemistry: Preparation of the Heptacyclic Pyrazine Core of Ritterazine N","Journal of Organic Chemistry","2006","71","","2797","2801","10.1021/jo052656m","","","0.71073","MoKα","","0.0574","0.0492","","","0.1235","0.1271","","","","","","1.115","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021619","10.356","0.004","14.18","0.006","14.807","0.005","102.64","0.04","103.02","0.04","110.17","0.04","1880.9","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H48 O14 -","- C40 H48 O14 -","- C80 H96 O28 -","2","1","","Katja Närhi; Johan Franzén; Jan-E. Bäckvall","An Unexpectedly Mild Thermal Alder-Ene-Type Cyclization of Enallenes","Journal of Organic Chemistry","2006","71","","2914","2917","10.1021/jo060013g","","","0.71073","MoKα","","0.0926","0.0519","","","0.137","0.1573","","","","","","0.957","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021620","6.3295","0.0016","11.365","0.003","13.908","0.003","90","","90","","90","","1000.5","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6-Amino-3-(β-D-2-deoxy-erythrofuranosyl)-2-fluuoropyridine","(2R,3R,5R)-5-(6-amino-2-fluoropyridin-3-yl)- tetrahydro-2-(hydroxymethyl)furan-3-ol","","- C10 H13 F N2 O3 -","- C10 H13 F N2 O3 -","- C40 H52 F4 N8 O12 -","4","1","","Zhenhua Sun; Shahadat Ahmed; Larry W. McLaughlin","Syntheses of Pyridine C-Nucleosides as Analogues of the Natural Nucleosides dC and dU","Journal of Organic Chemistry","2006","71","","2922","2925","10.1021/jo060066y","","x-ray","0.71073","MoKα","","0.0359","0.0334","","","","0.0812","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021621","11.587","0.003","5.6641","0.0012","11.939","0.002","90","","96.922","0.004","90","","777.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 F3 O5 -","- C14 H17 F3 O5 -","- C28 H34 F6 O10 -","2","1","","Hua Wang; Xiaoming Zhao; Youhua Li; Long Lu","Asymmetric Synthesis of Four Isomers of 2-C-Trifluoromethylerythritol","Journal of Organic Chemistry","2006","71","","3278","3281","10.1021/jo052282x","","","0.71073","MoKα","","0.1372","0.0652","","","0.1564","0.2067","","","","","","0.772","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021622","7.3581","0.0007","6.781","0.0007","11.7266","0.0012","90","","102.121","0.005","90","","572.06","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N O3 -","- C12 H17 N O3 -","- C24 H34 N2 O6 -","2","1","","Horacio F. Olivo; Ricardo Tovar-Miranda; Efraín Barragán","Synthesis of (-)-Stemoamide Using a Stereoselective anti-Aldol Step","Journal of Organic Chemistry","2006","71","","3287","3290","10.1021/jo052364l","","","0.71073","MoKα","","0.0512","0.0478","","","0.1223","0.1247","","","","","","1.257","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021623","11.6786","0.0014","24.579","0.003","10.7047","0.0012","90","","95.713","0.005","90","","3057.5","0.6","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 N5 O4 -","- C32 H43 N5 O4 -","- C128 H172 N20 O16 -","4","1","","Monika Mazik; Hüseyin Cavga","Carboxylate-Based Receptors for the Recognition of Carbohydrates in Organic and Aqueous Media","Journal of Organic Chemistry","2006","71","","2957","2963","10.1021/jo052479p","","","0.71073","MoKα","","0.0998","0.0525","","","0.1222","0.1385","","","","","","0.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021624","7.773","0.0008","11.172","0.001","16.251","0.004","90","","90","","90","","1411.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl O4 -","- C14 H19 Cl O4 -","- C56 H76 Cl4 O16 -","4","1","","Vishwakarma Singh; Shantanu Pal; Shaikh M. Mobin","Cycloaddition between Electron-Deficient π-Systems, Photochemical and Radical-Induced Reactions: A Novel, General, and Stereoselective Route to Polyfunctionalized Bridged Bicyclo[2.2.2]octanes, Bicyclo[3.3.0]octanes, Bicyclo[4.2.0]octanes, and Tricyclo[4.3.1.0^3,7^]decanes","Journal of Organic Chemistry","2006","71","","3014","3025","10.1021/jo052544v","","","0.71073","MoKα","","0.0527","0.0351","","","0.0848","0.0938","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021625","8.1942","0.0006","8.9362","0.0006","13.4442","0.0009","93.782","0.001","93.303","0.001","116.375","0.001","875.88","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C46 H40 O4 -","2","1","","Chunmei Gao; Derong Cao; Sheyang Xu; Herbert Meier","Acid-Catalyzed Cyclization of Anthracenol Derivatives to Homotriptycenes","Journal of Organic Chemistry","2006","71","","3071","3076","10.1021/jo0526791","","","0.71073","MoKα","","0.0716","0.0424","","","0.101","0.1156","","","","","","1.013","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021626","13.122","0.003","8.981","0.0018","10.755","0.002","90","","123.76","0.03","90","","1053.7","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 I2 -","- C8 H10 I2 -","- C32 H40 I8 -","4","0.5","","Zhenfeng Xi; Zhiyi Song; Guangzhen Liu; Xiaozhong Liu; Tamotsu Takahashi","Preparation of Partially Substituted 1-Halo- and 1,4-Dihalo-1,3-dienes via Reagent-Controlled Desilylation of Halogenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","3154","3158","10.1021/jo060003f","","","0.71073","MoKα","","0.0839","0.0512","","","0.1425","0.1575","","","","","","0.991","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021627","7.6944","0.0015","15.719","0.003","25.11","0.005","90","","90","","90","","3037.2","1","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C16 H12 I2 -","- C16 H12 I2 -","- C128 H96 I16 -","8","1","","Zhenfeng Xi; Zhiyi Song; Guangzhen Liu; Xiaozhong Liu; Tamotsu Takahashi","Preparation of Partially Substituted 1-Halo- and 1,4-Dihalo-1,3-dienes via Reagent-Controlled Desilylation of Halogenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","3154","3158","10.1021/jo060003f","","","0.71073","MoKα","","0.0667","0.0365","","","0.073","0.0793","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021628","13.345","0.003","8.431","0.004","41.094","0.004","90","","90","","90","","4624","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F2 N4 O4 -","- C23 H25 B F2 N4 O4 -","- C184 H200 B8 F16 N32 O32 -","8","1","","Raymond Ziessel; Laure Bonardi; Pascal Retailleau; Gilles Ulrich","Isocyanate-, Isothiocyanate-, Urea-, and Thiourea-Substituted Boron Dipyrromethene Dyes as Fluorescent Probes","Journal of Organic Chemistry","2006","71","","3093","3102","10.1021/jo0600151","","x-ray","1.5418","Cukα","","0.076","0.051","","","0.1363","0.1529","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021629","11.4564","0.0004","11.4564","0.0004","16.2373","0.0012","90","","90","","120","","1845.61","0.16","298","2","298","2","","","","","","","","6","P 32","P 32","145","","","","- C23 H24 F5 N O4 S2 -","- C23 H24 F5 N O4 S2 -","- C69 H72 F15 N3 O12 S6 -","3","1","","Jeremy P. Scott; Steven F. Oliver; Karel M. J. Brands; Sarah E. Brewer; Antony J. Davies; Andrew D. Gibb; David Hands; Stephen P. Keen; Faye J. Sheen; Robert A. Reamer; Robert D. Wilson; Ulf-H. Dolling","Practical Asymmetric Synthesis of a γ-Secretase Inhibitor Exploiting Substrate-Controlled Intramolecular Nitrile Oxide-Olefin Cycloaddition","Journal of Organic Chemistry","2006","71","","3086","3092","10.1021/jo060033i","","","0.71073","MoKα","","0.0617","0.0456","","","0.1025","0.1104","","","","","","1.031","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021630","8.367","0.005","11.281","0.007","13.2","0.005","65.18","0.04","79.23","0.04","69.25","0.04","1056.5","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","PYRENE AMINO ACID","N-(1-pyrenyl)-2-aminobenzoic acid","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Christian Wolf; Shuanglong Liu; Xuefeng Mei; Adam T. August; Michael D. Casimir","Regioselective Copper-Catalyzed Amination of Bromobenzoic Acids Using Aliphatic and Aromatic Amines","Journal of Organic Chemistry","2006","71","","3270","3273","10.1021/jo060034a","","","0.71073","MoKα","","0.081","0.0504","","","0.1295","0.1393","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021631","13.7819","0.0002","16.2114","0.0002","18.7744","0.0003","71.381","0.005","87.314","0.005","85.678","0.005","3962.7","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N4 Ni O2 -","- C54 H36 N4 Ni O2 -","- C216 H144 N16 Ni4 O8 -","4","2","","Christophe Jeandon; Romain Ruppert; Henry J. Callot","Acylation of Nickel meso-Tetraarylporphyrins: Porphyrin to Corrole Ring Contraction and Formation of seco-Porphyrins","Journal of Organic Chemistry","2006","71","","3111","3120","10.1021/jo0600499","","","0.71073","Mo-Kα","","0.121","0.046","","0.187","","0.063","","","3.434","","","1.071","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021632","16.52","0.0006","18.257","0.0009","14.923","0.0009","90","","114.974","0.002","90","","4080","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H38 N4 Ni O2 -","- C55 H38 N4 Ni O2 -","- C220 H152 N16 Ni4 O8 -","4","1","","Christophe Jeandon; Romain Ruppert; Henry J. Callot","Acylation of Nickel meso-Tetraarylporphyrins: Porphyrin to Corrole Ring Contraction and Formation of seco-Porphyrins","Journal of Organic Chemistry","2006","71","","3111","3120","10.1021/jo0600499","","","0.71073","MoKα","","0.13","0.0828","","","0.1559","0.1742","","","","","","1.061","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021633","7.4498","0.0003","10.6899","0.0004","11.6023","0.0003","90","","90","","90","","923.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ferrocenyl azide","","- C10 H9 Fe N3 -","- C10 H9 Fe N3 -","- C40 H36 Fe4 N12 -","4","1","","Peter Walla; Vladimir B. Arion; Udo H. Brinker","Solvent- and Temperature-Tuned Orientation of Ferrocenyl Azide Inside β-Cyclodextrin","Journal of Organic Chemistry","2006","71","","3274","3277","10.1021/jo060102t","","","0.71073","MoKα","","0.0153","0.0148","","","0.039","0.0392","","","","","","1.067","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021634","28.769","0.005","7.5895","0.0013","21.58","0.004","90","","101.375","0.003","90","","4619.4","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr O4 -","- C12 H10 Cr O4 -","- C192 H160 Cr16 O64 -","16","2","","Hechun Lin; Qian Chen; Lidong Cao; Li Yang; Yun-Dong Wu; Chaozhong Li","Effect of M(CO)~3~ (M = Cr, Mn^+^) on Aromatic C-Cl BDE in (η-ArCl)M(CO)~3~ Complexes","Journal of Organic Chemistry","2006","71","","3328","3331","10.1021/jo060154i","","","0.71073","MoKα","","0.108","0.0532","","","0.0971","0.1116","","","","","","0.818","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021635","12.035","0.002","9.5555","0.0018","13.675","0.003","90","","110.512","0.003","90","","1472.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cr N O3 -","- C15 H15 Cr N O3 -","- C60 H60 Cr4 N4 O12 -","4","1","","Hechun Lin; Qian Chen; Lidong Cao; Li Yang; Yun-Dong Wu; Chaozhong Li","Effect of M(CO)~3~ (M = Cr, Mn^+^) on Aromatic C-Cl BDE in (η-ArCl)M(CO)~3~ Complexes","Journal of Organic Chemistry","2006","71","","3328","3331","10.1021/jo060154i","","","0.71073","MoKα","","0.1432","0.0565","","","0.1234","0.1435","","","","","","0.769","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021636","5.6458","0.0002","14.9698","0.0004","22.167","0.0006","90","","90","","90","","1873.48","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Albert Padwa; Qiu Wang","Rhodium(I)-Catalyzed Nucleophilic Ring-Opening Reactions of Oxabicyclo Adducts Derived from the [4 + 2]-Cycloaddition of 2-Imido-Substituted Furans","Journal of Organic Chemistry","2006","71","","3210","3220","10.1021/jo060238r","","","1.54178","CuKα","","0.0365","0.0318","","","0.0813","0.0879","","","","","","1.148","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021637","10.9426","0.0002","5.4801","0.0001","27.9676","0.0006","90","","97.52","0.002","90","","1662.7","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Albert Padwa; Qiu Wang","Rhodium(I)-Catalyzed Nucleophilic Ring-Opening Reactions of Oxabicyclo Adducts Derived from the [4 + 2]-Cycloaddition of 2-Imido-Substituted Furans","Journal of Organic Chemistry","2006","71","","3210","3220","10.1021/jo060238r","","","1.54178","CuKα","","0.0525","0.0453","","","0.1644","0.1919","","","","","","1.068","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021638","15.969","0.0016","5.852","0.0006","21.143","0.002","90","","109.744","0.004","90","","1859.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B N O5 -","- C19 H22 B N O5 -","- C76 H88 B4 N4 O20 -","4","1","","Albert Padwa; Qiu Wang","Rhodium(I)-Catalyzed Nucleophilic Ring-Opening Reactions of Oxabicyclo Adducts Derived from the [4 + 2]-Cycloaddition of 2-Imido-Substituted Furans","Journal of Organic Chemistry","2006","71","","3210","3220","10.1021/jo060238r","","","1.54178","CuKα","","0.0971","0.0662","","","0.1579","0.1729","","","","","","1.105","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021639","8.8777","0.0002","9.1491","0.0002","17.359","0.0004","90","","90","","90","","1409.95","0.05","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0544","0.0416","","0.0533","","0.051","","","1.314","","","1.446","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021640","7.561","0.0002","16.2981","0.0004","17.611","0.0005","90","","90","","90","","2170.2","0.09","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0624","0.0393","","0.0451","","0.0403","","","0.955","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021641","7.7972","0.0001","8.4637","0.0001","18.482","0.0004","90","","90","","90","","1219.69","0.03","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0594","0.041","","0.0512","","0.048","","","1.202","","","1.321","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021642","5.7154","0.0004","28.899","0.002","7.9525","0.0006","90","","101.967","0.003","90","","1285","0.2","200","","200","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.1643","0.0729","","0.0807","","0.0672","","","1.689","","","1.898","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021643","14.4024","0.0003","6.3863","0.0001","18.4534","0.0005","90","","105.924","0.001","90","","1632.18","0.06","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0672","0.0444","","0.06","","0.0554","","","1.27","","","1.455","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021644","8.0557","0.0001","12.5","0.0002","19.094","0.0004","91.8994","0.0007","96.6238","0.0007","103.216","0.0009","1855.75","0.05","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C78 H84 N12 O12 -","6","3","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.1299","0.0436","","0.0575","","0.0423","","","0.929","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021645","6.4005","0.0002","9.6092","0.0003","16.9445","0.0007","97.81","0.001","93.968","0.001","91.459","0.003","1029.37","0.06","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C48 H62 N2 O6 -","2","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0992","0.0399","","0.0539","","0.0426","","","0.93","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021646","7.6385","0.0001","11.8594","0.0001","29.2414","0.0004","90","","90","","90","","2648.92","0.05","200","","200","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 N O3 -","- C29 H37 N O3 -","- C116 H148 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.71073","MoKα","","","0.0353","","","","0.0381","","","","","","1.0422","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021647","12.7675","0.0001","15.2014","0.0001","19.6121","0.0002","90","","90","","90","","3806.39","0.06","200","","200","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H60 N2 O5 S -","- C39 H60 N2 O5 S -","- C156 H240 N8 O20 S4 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.71073","MoKα","","0.0517","0.0276","","0.0385","0.0307","0.0307","","","","","","1.126","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021648","9.1846","0.0005","12.2299","0.0007","13.6313","0.0008","90","","90","","90","","1531.16","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C56 H100 N4 O24 -","4","1","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.0587","0.05","","","0.1282","0.1357","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021649","9.2158","0.0004","9.2268","0.0004","36.499","0.0016","90","","90","","90","","3103.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C112 H200 N8 O48 -","8","2","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.079","0.0576","","","0.1317","0.1441","","","","","","1.112","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021650","10.0458","0.0005","15.1747","0.0008","20.8717","0.0011","90","","90","","90","","3181.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C112 H200 N8 O48 -","8","2","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.1008","0.0574","","","0.1263","0.1462","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021651","11.7344","0.0007","13.0317","0.0008","10.7158","0.0006","90","","90","","90","","1638.65","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 N O7 -","- C14 H25 N O7 -","- C56 H100 N4 O28 -","4","1","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.0756","0.0628","","","0.1485","0.1573","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021652","5.5578","0.0005","14.2895","0.0012","8.6246","0.0007","90","","102.443","0.002","90","","668.9","0.1","150","","150","","","","","","","","?","3","P 1 21/n 1","-P 2yn","14","","","","- C2 Cl4 O2 -","- C2 Cl4 O2 -","- C8 Cl16 O8 -","4","1","","Valeria B. Arce; Carlos O. Della Védova; Anthony J. Downs; Simon Parsons; Rosana M. Romano","Trichloromethyl Chloroformate (""Diphosgene""), ClC(O)OCCl~3~: Structure and Conformational Properties in the Gaseous and Condensed Phases","Journal of Organic Chemistry","2006","71","","3423","3428","10.1021/jo052260a","","","0.71073","MoKα","","","0.0248","","","","0.0271","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021653","11.073","0.002","11.844","0.002","17.13","0.003","106.076","0.003","99.448","0.003","90.43","0.003","2126.1","0.7","298","2","298","2","","","","","","","","5","P 1","P 1","1","","Methyl-4-O-(2,3-di-O-benzyl-4,6-O-[1-cyano-2-(2-iodophenyl)] ethylidene-β-D-mannopyranosyl)-2,3-O-isopropylidene-α-L-rhamnopyranoside","","- C47 H52 I N10 O12 -","- C43 H53.5 I N O11 -","- C86 H107 I2 N2 O22 -","2","2","","David Crich; Albert A. Bowers","4,6-O-[1-Cyano-2-(2-iodophenyl)ethylidene] Acetals. Improved Second-Generation Acetals for the Stereoselective Formation of β-D-Mannopyranosides and Regioselective Reductive Radical Fragmentation to β-D-Rhamnopyranosides. Scope and Limitations","Journal of Organic Chemistry","2006","71","","3452","3463","10.1021/jo0526688","","","0.71073","MoKα","","0.128","0.0686","","","0.1384","0.1656","","","","","","0.909","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021654","9.519","0.008","11.715","0.014","14.964","0.005","104.5","0.06","106.22","0.04","100.07","0.09","1497","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1SR,2RS,3RS,3aSR,8aSR)-5,6,5,6-tetramethoxy-1,3-di(4-pyridyl)- 3a,8a-dihydrospiro{cyclopenta[a]indene-2,2(1H,3H)-indene}-1,8(3H)-dione","","- C34 H32 N2 O7 -","- C34 H30 N2 O7 -","- C68 H60 N4 O14 -","2","1","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71069","MoKα","","0.6403","0.0486","","","0.057","0.1663","","","","","","0.671","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021655","11.904","0.005","21.892","0.011","11.857","0.008","90","","106.53","0.03","90","","2962","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1SR,2RS,3RS,3aSR,8aSR)-5,6,5,6-tetramethoxy-1,3-diphenyl- 3a,8a-dihydrospiro{cyclopenta[a]indene-2,2(1H,3H)indene}-1,8(3H)-dione","","- C36 H32 O6 -","- C36 H32 O6 -","- C144 H128 O24 -","4","1","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71073","MoKα","","0.3089","0.0519","","","0.0516","0.0835","","","","","","0.811","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021656","20.518","0.006","14.615","0.005","15.355","0.007","90","","103.29","0.02","90","","4481","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS,3SR,3aSR,8aSR)-1,3-di(2-pyridyl)-3a,8a- dihydrospiro{cyclopenta[a]indene- 2,2(1H,3H)-indene}-1,8(3H)-dione","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C240 H176 N16 O16 -","8","2","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71073","MoKα","","0.2293","0.0383","","","0.0373","0.0555","","","","","","0.769","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021657","12.426","0.009","17.622","0.005","10.968","0.009","90","","105.33","0.06","90","","2316","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS,3RS,3aSR,8aSR)-1,3-di(2-pyridyl)3a,8a- dihydrospiro{cyclopenta[a]indene-2,2(1H,3H)-indene}-1,8(3H)-dione","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","1","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71073","MoKα","","0.5684","0.0323","","","0.0331","0.12","","","","","","0.662","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021658","28.734","0.005","9.253","0.005","25.67","0.005","90","0.005","119.869","0.005","90","0.005","5918","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 O4 S Se Si -","- C30 H36 O4 S Se Si -","- C240 H288 O32 S8 Se8 Si8 -","8","1","","Philippe James; Kurt Schenk; Yannick Landais","Radical-Mediated 5-Exo-Trig Cyclizations of 3-Silylhepta-1,6-dienes","Journal of Organic Chemistry","2006","71","","3630","3633","10.1021/jo060024+","","","0.71069","MoKα","","0.1548","0.1419","","","0.4052","0.4093","","","","","","3.204","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021659","35.397","0.003","8.1002","0.0007","13.1578","0.0012","90","","93.618","0.002","90","","3765.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","04058a","","","- C18 H25 N O3 S2 -","- C18 H25 N O3 S2 -","- C144 H200 N8 O24 S16 -","8","1","","William G. O'Neal; William P. Roberts; Indranath Ghosh; Hui Wang; Peter A. Jacobi","Studies in Chlorin Chemistry. 3. A Practical Synthesis of C,D-Ring Symmetric Chlorins of Potential Utility in Photodynamic Therapy","Journal of Organic Chemistry","2006","71","","3472","3480","10.1021/jo060041z","","","0.71073","MoKα","","0.0686","0.0536","","","0.1351","0.1441","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021660","22.3786","0.001","16.5405","0.0007","11.1443","0.0005","90","","103.305","0.001","90","","4014.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-[2,3-diphenyl-4-(2,2,2-trifluoroacetyl)piperazino]-2,2,2-trifluoro-1-ethanone","1-[2,3-diphenyl-4-(2,2,2-trifluoroacetyl)piperazino]-2,2,2-trifluoro-1-ethanone","","- C20 H16 F6 N2 O2 -","- C20 H16 F6 N2 O2 -","- C160 H128 F48 N16 O16 -","8","2","","Pothiappan Vairaprakash; Mariappan Periasamy","A Simple Method of Synthesis of (±)-2,3-Diarylpiperazines and a Novel Method of Resolution of (±)-2,3-Diphenylpiperazine","Journal of Organic Chemistry","2006","71","","3636","3638","10.1021/jo060083n","","","0.71073","MoKα","","0.158","0.0799","","","0.2291","0.2847","","","","","","1.02","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021661","9.2088","0.001","35.387","0.004","6.2519","0.0007","90","","90","","90","","2037.3","0.4","273","2","273","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(2S,3S)-2,3-diphenylhexahydropyrazinediium(2R,3R)-2,3-dihydroxybutanediote","(2S,3S)-2,3-diphenylhexahydropyrazinediium(2R,3R)-2,3-dihydroxybutanedioate","","- C20 H28 N2 O8 -","- C20 H28 N2 O8 -","- C80 H112 N8 O32 -","4","1","","Pothiappan Vairaprakash; Mariappan Periasamy","A Simple Method of Synthesis of (±)-2,3-Diarylpiperazines and a Novel Method of Resolution of (±)-2,3-Diphenylpiperazine","Journal of Organic Chemistry","2006","71","","3636","3638","10.1021/jo060083n","","","0.71073","MoKα","","0.0562","0.0483","","","0.1071","0.1108","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021662","9.841","0.0005","9.841","0.0005","22.1322","0.0013","90","","90","","120","","1856.24","0.17","293","2","293","2","","","","","","","","5","P 65","P 65","170","","R-2-Oxo-2-phenyl-benzo[c][1,2]thiazin-8-ol","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C84 H66 N6 O12 S6 -","6","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0316","0.0273","","","0.0692","0.0712","","","","","","1.053","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021663","8.4357","0.0019","18.756","0.004","9.093","0.002","90","","110.79","0.004","90","","1345","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 N O5 P S -","- C30 H28 N O5 P S -","- C60 H56 N2 O10 P2 S2 -","2","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0683","0.0546","","","0.1269","0.1357","","","","","","1.05","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021664","13.6913","0.0018","15.254","0.002","18.401","0.002","90","","90","","90","","3843.2","0.9","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Cd Cl2 I2 N3 O4 S2 -","- C36 H29 Cd Cl2 I2 N3 O4 S2 -","- C144 H116 Cd4 Cl8 I8 N12 O16 S8 -","4","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0584","0.0393","","","0.07","0.0758","","","","","","1.024","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021665","9.7558","0.0009","9.0365","0.0009","26.814","0.003","90","","90","","90","","2363.8","0.4","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C128 H112 N16 -","8","1","","Norio Sakai; Kimiyoshi Annaka; Takeo Konakahara","Direct Synthesis of Polysubstituted Quinoline Derivatives by InBr~3~-Promoted Dimerization of 2-Ethynylaniline Derivatives","Journal of Organic Chemistry","2006","71","","3653","3655","10.1021/jo060245f","","","0.71073","MoKα","","0.0623","0.0526","","","0.1422","0.1714","","","","","","1.146","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021666","11.253","0.001","39.851","0.006","20.366","0.003","90","","94.469","0.003","90","","9105","2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[9-Methyl-2-(4-phenoxy-phenyl)-6,7,8,9-tetrahydro- 5H-pyrido[2,3-b]azepin-4-yl]-benzonitrile","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C464 H400 N48 O16 -","16","8","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.1726","0.0735","","","0.1356","0.1718","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021667","11.4985","0.0002","8.2319","0.0001","19.1003","0.0003","90","","95.956","0.001","90","","1798.17","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[6-(4-Methoxy-phenyl)-1-methyl-2,3-dihydro-1H-pyrrolo [2,3-b]pyridin-4-yl]-benzonitrile","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0421","0.0324","","","0.0807","0.0879","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021668","6.9223","0.0004","11.9648","0.0007","18.529","0.001","90","","90","","90","","1534.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(4-Methoxy-phenyl)-1-methyl-4-pyrimidin-2-yl-2,3-1H-pyrrolo[2,3-b]pyrimidine","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C76 H72 N16 O4 -","4","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0389","0.0379","","","0.1003","0.1013","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021669","11.415","0.003","10.313","0.003","18.66","0.005","90","","93.896","0.007","90","","2191.6","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[2-(4-Phenoxy-phenyl)-8-methyl-5,6,7,8-tetrahydro- [1,8]naphthyridin-4-yl]-benzonitrile","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C112 H92 N12 O4 -","4","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0551","0.0387","","","0.0937","0.1018","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021670","8.9544","0.0006","10.4943","0.0007","11.4673","0.0009","66.502","0.002","71.853","0.002","67.098","0.002","894.61","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxy-phenyl)-9-methyl-4-pyridin-2-yl-6,7,8,9- tetrahydro-5H-pyrido[2,3-b]azepine","","- C22 H23 N3 O -","- C22 H23 N3 O -","- C44 H46 N6 O2 -","2","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0564","0.0404","","","0.1055","0.1131","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021671","30.991","0.0003","6.095","0.0001","26.505","0.0005","90","","125.089","0.0006","90","","4096.64","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N O4 -","- C22 H27 N O4 -","- C176 H216 N8 O32 -","8","1","","Alphonse Tenaglia; Sylvain Marc","CpRuCl(PPh~3~)~2~-Catalyzed Cyclopropanation of Bicyclic Alkenes with Tertiary Propargylic Acetates","Journal of Organic Chemistry","2006","71","","3569","3575","10.1021/jo060276a","","","0.71073","MoKα","","0.1255","0.0667","","","0.1846","0.2282","","","","","","1.032","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021672","9.7776","0.0005","13.6558","0.0005","9.8864","0.0005","90","","101.014","0.0006","90","","1295.7","0.1","173.2","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C34 H34 N2 -","- C34 H34 N2 -","- C68 H68 N4 -","2","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0505","","","","0.1505","","","","","","1.373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021673","8.545","0.002","17.764","0.005","11.252","0.002","90","","110.089","0.003","90","","1604","0.7","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0452","","","","0.1084","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021674","10.1556","0.0004","8.8798","0.0004","16.9199","0.0009","90","","89.478","0.001","90","","1525.8","0.1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N O2 -","- C19 H20 N O2 -","- C76 H80 N4 O8 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0567","","","","0.139","","","","","","1.322","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021675","23.402","0.001","14.6147","0.0006","17.5801","0.0009","90","","137.473","0.0009","90","","4064.2","0.3","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C184 H216 N8 O32 -","8","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0462","","","","0.1365","","","","","","1.217","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021676","10.124","0.004","14.703","0.005","11.485","0.004","90","","110.43","0.02","90","","1602","3","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N O2 -","- C20 H20 N O2 -","- C80 H80 N4 O8 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0446","","","","0.1358","","","","","","1.334","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021677","10.9945","0.0008","15.532","0.001","19.61","0.001","90","","103.689","0.0009","90","","3253.5","0.4","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H40 N2 O5 -","- C39 H40 N2 O5 -","- C156 H160 N8 O20 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.08","","","","0.2146","","","","","","1.769","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021678","10.5311","0.0005","11.2818","0.0007","13.3134","0.0007","90","0.003","108.86","0.002","90","0.003","1496.8","0.1","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0634","","","","0.1805","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021679","9.92","0.0002","13.896","0.0003","17.005","0.0005","87.986","0.001","79.848","0.001","79.04","0.002","2265.32","0.09","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O -","- C13 H20 O -","- C104 H160 O8 -","8","4","","Kao-Hsien Shen; Ching-Fa Yao","Novel and Efficient Method for the Allylation of Carbonyl Compounds and Imines Using Triallylaluminum","Journal of Organic Chemistry","2006","71","","3980","3983","10.1021/jo052385f","","","0.71073","MoKα","","0.1253","0.0599","","","0.1589","0.1955","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021680","9.909","0.0002","13.439","0.0002","22.069","0.0004","90","","93.59","0.0007","90","","2933.1","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O4 -","- C34 H36 O4 -","- C136 H144 O16 -","4","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Filippo M. Perna; Antonio Salomone","Synthesis of 1,3-Dihydrobenzo[c]furans from Ortho-Lithiated Aryloxiranes","Journal of Organic Chemistry","2006","71","","3984","3987","10.1021/jo052645t","","","0.71073","MoKα","","0.1131","0.0878","","","0.2571","0.2771","","","","","","1.083","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021681","6.5866","0.0007","10.7519","0.0011","25.662","0.003","90","","90","","90","","1817.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O6 -","- C17 H18 F3 N O6 -","- C68 H72 F12 N4 O24 -","4","1","","Qi Chen; Xiao-Long Qiu; Feng-Ling Qing","Indium-Mediated Diastereoselective Allylation of D- and L-Glyceraldimines with 4-Bromo-1,1,1-trifluoro-2-butene: Highly Stereoselective Synthesis of 4,4,4-Trifluoroisoleucines and 4,4,4-Trifluorovaline","Journal of Organic Chemistry","2006","71","","3762","3767","10.1021/jo0601157","","","0.71073","MoKα","","0.0842","0.051","","","0.1079","0.1185","","","","","","0.83","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021682","9.2107","0.0012","10.4318","0.0013","20.222","0.003","90","","90","","90","","1943","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F3 N2 O5 -","- C17 H21 F3 N2 O5 -","- C68 H84 F12 N8 O20 -","4","1","","Qi Chen; Xiao-Long Qiu; Feng-Ling Qing","Indium-Mediated Diastereoselective Allylation of D- and L-Glyceraldimines with 4-Bromo-1,1,1-trifluoro-2-butene: Highly Stereoselective Synthesis of 4,4,4-Trifluoroisoleucines and 4,4,4-Trifluorovaline","Journal of Organic Chemistry","2006","71","","3762","3767","10.1021/jo0601157","","","0.71073","MoKα","","0.1229","0.0457","","","0.0823","0.0972","","","","","","0.724","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021683","8.039","0.002","9.123","0.005","11.27","0.003","90","","96.06","0.02","90","","821.9","0.5","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.1214","0.0951","","","0.2396","0.2605","","","","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021684","7.487","","8.4","","10.324","","90","","104.96","","90","","627.3","","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C28 H34 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0653","0.0426","","","0.1141","0.1248","","","","","","1.042","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021685","9.183","0.001","9.649","0.001","14.829","0.003","89.13","0.01","73.905","0.01","61.905","0.01","1103.3","0.3","567","2","567","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C56 H58 N2 O4 -","2","2","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0638","0.0448","","","0.1138","0.1265","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021686","17.077","0.002","6.1","0.002","20.335","0.003","90","","94.74","0.02","90","","2111.1","0.8","294","2","294","2","","","","","","","synthesis as described","4","I 1 2 1","I 2y","5","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0789","0.0477","","","0.1137","0.1318","","","","","","1.054","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021687","7.4204","0.001","9.7672","0.0013","10.349","0.013","90","","105.788","0.011","90","","721.8","0.9","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C32 H42 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0875","0.0534","","","0.1275","0.146","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021688","7.1748","0.0001","12.322","0.0002","12.7561","0.0003","80.9493","0.0006","78.1764","0.0008","78.3594","0.0008","1073.17","0.03","295","","295","","","","","","","","","5","P -1","-P 1","2","","N,N-Diethylethanaminium (1E)-1,3-bis(2-chloro-4-nitrophenyl)triazenide","","- C18 H22 Cl2 N6 O4 -","- C18 H22 Cl2 N6 O4 -","- C36 H44 Cl4 N12 O8 -","2","1","","Andrej Virag; Anton Meden; Marijan Kočevar; Slovenko Polanc","Synthesis and Characterization of New Triazenide Salts","Journal of Organic Chemistry","2006","71","","4014","4017","10.1021/jo060178p","","","0.71073","MoKα","","","0.046","","","","0.041","","","","","","1.43","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4021689","11.529","0.0002","13.8586","0.0003","17.0008","0.0003","90","","100.46","0.0013","90","","2671.18","0.09","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1E)-3-Ethoxy-N,N,N-triethyl-3-oxo-1-propen-1-aminium (1E)- 1,3-bis(2-chloro-4-nitrophenyl)triazenide","","- C23 H28 Cl2 N6 O6 -","- C23 H28 Cl2 N6 O6 -","- C92 H112 Cl8 N24 O24 -","4","1","","Andrej Virag; Anton Meden; Marijan Kočevar; Slovenko Polanc","Synthesis and Characterization of New Triazenide Salts","Journal of Organic Chemistry","2006","71","","4014","4017","10.1021/jo060178p","","","0.71073","MoKα","","","0.056","","","","0.053","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021690","5.7123","0.0011","11.521","0.002","19.939","0.004","90","","90","","90","","1312.2","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Jeff T. Suri; Susumu Mitsumori; Klaus Albertshofer; Fujie Tanaka; Carlos F. Barbas III","Dihydroxyacetone Variants in the Organocatalytic Construction of Carbohydrates: Mimicking Tagatose and Fuculose Aldolases","Journal of Organic Chemistry","2006","71","","3822","3828","10.1021/jo0602017","","","0.71073","MoKα","","0.0424","0.0356","","","0.0856","0.0896","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021691","20.703","0.002","5.5301","0.0005","7.6557","0.0008","90","","90","","90","","876.5","0.15","190","2","190","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H6 F2 O2 -","- C11 H6 F2 O2 -","- C44 H24 F8 O8 -","4","1","","Yi Wang; Donald J. Burton","A Facile, General Synthesis of 3,4-Difluoro-6-substituted-2-pyrones","Journal of Organic Chemistry","2006","71","","3859","3862","10.1021/jo060362a","","","0.71073","MoKα","","0.0566","0.0422","","","0.1002","0.1058","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021692","8.914","0.002","12.872","0.002","14.088","0.002","90","","90","","90","","1616.5","0.4","98.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Ayumu Niida; Hiroaki Tanigaki; Eriko Inokuchi; Yoshikazu Sasaki; Shinya Oishi; Hiroaki Ohno; Hirokazu Tamamura; Zixuan Wang; Stephen C. Peiper; Kazuo Kitaura; Akira Otaka; Nobutaka Fujii","Stereoselective Synthesis of 3,6-Disubstituted-3,6-dihydropyridin-2-ones as Potential Diketopiperazine Mimetics Using Organocopper-Mediated anti-S~N~2' Reactions and Their Use in the Preparation of Low-Molecule CXCR4 Antagonists","Journal of Organic Chemistry","2006","71","","3942","3951","10.1021/jo060390t","","","0.7107","MoKα","","","0.0355","","","","0.0623","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021693","8.683","0.002","10.611","0.002","12.899","0.003","90","","90","","90","","1188.4","0.4","133.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Ayumu Niida; Hiroaki Tanigaki; Eriko Inokuchi; Yoshikazu Sasaki; Shinya Oishi; Hiroaki Ohno; Hirokazu Tamamura; Zixuan Wang; Stephen C. Peiper; Kazuo Kitaura; Akira Otaka; Nobutaka Fujii","Stereoselective Synthesis of 3,6-Disubstituted-3,6-dihydropyridin-2-ones as Potential Diketopiperazine Mimetics Using Organocopper-Mediated anti-S~N~2' Reactions and Their Use in the Preparation of Low-Molecule CXCR4 Antagonists","Journal of Organic Chemistry","2006","71","","3942","3951","10.1021/jo060390t","","","0.7107","MoKα","","","0.0363","","","","0.0714","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021694","37.2189","0.0005","25.8102","0.0004","22.6434","0.0004","90","","115.247","0.001","90","","19674.1","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H111 N9 O15 S3 -","- C81 H105 N9 O15 S3 -","- C648 H840 N72 O120 S24 -","8","1","","David Coquière; Hélène Cadeau; Yannick Rondelez; Michel Giorgi; Olivia Reinaud","Ipso-Chlorosulfonylation of Calixarenes: A Powerful Tool for the Selective Functionalization of the Large Rim","Journal of Organic Chemistry","2006","71","","4059","4065","10.1021/jo052605p","","","0.71073","MoKα","","0.2169","0.1199","","","0.2893","0.3551","","","","","","1.055","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021695","6.05","0.001","9.625","0.002","21.19","0.004","90","","90","","90","","1233.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Lili Lin; Qian Fan; Bo Qin; Xiaoming Feng","Highly Enantio- and Diastereoselective Brassard Type Hetero-Diels-Alder Approach to 5-Methyl-Containing α,β-Unsaturated δ-Lactones","Journal of Organic Chemistry","2006","71","","4141","4146","10.1021/jo060046w","","","0.71073","MoKα","","0.1337","0.047","","","0.055","0.0666","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021696","11.465","0.001","11.569","0.002","14.849","0.002","110.7","0.01","91.91","0.01","96.29","0.01","1825.8","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","2","","Renata Marcia de Figueiredo; Roland Fröhlich; Mathias Christmann","N,N'-Carbonyldiimidazole-Mediated Cyclization of Amino Alcohols to Substituted Azetidines and Other N-Heterocycles","Journal of Organic Chemistry","2006","71","","4147","4154","10.1021/jo060130b","","","1.54178","CuKα","","0.131","0.0749","","","0.1832","0.2267","","","","","","1.009","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021697","18.2861","0.0006","9.5825","0.0003","23.9084","0.0008","90","","110.824","0.001","90","","3915.7","0.2","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C55 H38 Cl2 -","- C55 H38 Cl2 -","- C220 H152 Cl8 -","4","1","","Rajib Mondal; Bipin K. Shah; Douglas C. Neckers","Synthesis and Photophysical Properties of Dihydroheptacenes: New Blue-Emitting Materials","Journal of Organic Chemistry","2006","71","","4085","4091","10.1021/jo0601314","","","0.71073","MoKα","","0.0737","0.0625","","","0.1476","0.1541","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021698","8.683","0.002","10.611","0.002","12.899","0.003","90","","90","","90","","1188.4","0.4","133.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Ayumu Niida; Makiko Mizumoto; Tetsuo Narumi; Eriko Inokuchi; Shinya Oishi; Hiroaki Ohno; Akira Otaka; Kazuo Kitaura; Nobutaka Fujii","Synthesis of (Z)-Alkene and (E)-Fluoroalkene-Containing Diketopiperazine Mimetics Utilizing Organocopper-Mediated Reduction-Alkylation and Diastereoselectivity Examination Using DFT Calculations","Journal of Organic Chemistry","2006","71","","4118","4129","10.1021/jo060202z","","","0.7107","MoKα","","","0.0363","","","","0.0714","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021699","8.914","0.002","12.872","0.002","14.088","0.002","90","","90","","90","","1616.5","0.4","98.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Ayumu Niida; Makiko Mizumoto; Tetsuo Narumi; Eriko Inokuchi; Shinya Oishi; Hiroaki Ohno; Akira Otaka; Kazuo Kitaura; Nobutaka Fujii","Synthesis of (Z)-Alkene and (E)-Fluoroalkene-Containing Diketopiperazine Mimetics Utilizing Organocopper-Mediated Reduction-Alkylation and Diastereoselectivity Examination Using DFT Calculations","Journal of Organic Chemistry","2006","71","","4118","4129","10.1021/jo060202z","","","0.7107","MoKα","","","0.0355","","","","0.0623","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021700","6.8927","0.0001","8.8506","0.0002","12.6185","0.0003","75.92","0.001","80.014","0.001","75.82","0.001","718.59","0.03","100","2","100","2","","","","","","","synthesized","5","P 1","P 1","1","","","","- C26 H30 Cl2 N8 O6 -","- C26 H30 Cl2 N8 O6 -","- C26 H30 Cl2 N8 O6 -","1","1","","May Xiao-Wu Jiang; Bohan Jin; Jennifer L. Gage; Alain Priour; Gordon Savela; Marvin J. Miller","Substrate-Dependent Dihydroxylation of Substituted Cyclopentenes: Toward the Syntheses of Carbocyclic Sinefungin and Noraristeromycin","Journal of Organic Chemistry","2006","71","","4164","4169","10.1021/jo060224l","","x-ray","0.71073","MoKα","","0.0274","0.0264","","","0.0681","0.0689","","","","","","1.059","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021701","11.2761","0.0005","23.5451","0.0009","26.7168","0.0011","90","","90","","90","","7093.2","0.5","100","2","100","2","","","","","","","synthesized","5","C 2 2 21","C 2c 2","20","","","","- C33 H45 Cl N5 O9 -","- C33 H43 Cl N5 O8 -","- C264 H344 Cl8 N40 O64 -","8","1","","May Xiao-Wu Jiang; Bohan Jin; Jennifer L. Gage; Alain Priour; Gordon Savela; Marvin J. Miller","Substrate-Dependent Dihydroxylation of Substituted Cyclopentenes: Toward the Syntheses of Carbocyclic Sinefungin and Noraristeromycin","Journal of Organic Chemistry","2006","71","","4164","4169","10.1021/jo060224l","","x-ray","0.71073","MoKα","","0.044","0.0368","","","0.0838","0.0868","","","","","","1.037","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021702","6.3331","0.0009","20.91","0.004","13.268","0.003","90","","103.735","0.006","90","","1706.8","0.6","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18.5 F3 N3 O8.25 -","- C13 H18.5 F3 N3 O8.25 -","- C52 H74 F12 N12 O33 -","4","2","","T. Santhosh Kumar; Andreas S. Madsen; Jesper Wengel; Patrick J. Hrdlicka","Synthesis and Hybridization Studies of 2'-Amino-α-L-LNA and Tetracyclic ""Locked LNA""","Journal of Organic Chemistry","2006","71","","4188","4201","10.1021/jo060331f","","","0.71073","MoKα","","0.1181","0.0899","","","0.2369","0.2551","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021703","13.449","0.002","20.433","0.004","9.746","0.003","90","","107.333","0.002","90","","2556.8","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(2-butylimidazol-1-yl)-2-chloropurine","","- C12 H13 Cl N6 -","- C12 H13 Cl N6 -","- C96 H104 Cl8 N48 -","8","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0413","0.0349","","","0.0928","0.0979","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021704","28.454","0.006","12.209","0.002","7.1539","0.0014","90","","95.85","0.03","90","","2472.3","0.8","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-(1,2,4-triazol-4-yl)purine.pyridine","","- C12 H10 N8 -","- C12 H10 N8 -","- C96 H80 N64 -","8","2","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0511","0.0338","","","0.0904","0.1017","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021705","8.6769","0.0008","14.8384","0.0014","25.297","0.002","90","","90","","90","","3257","0.5","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","9-(5-O-acetyl-β-D-ribofuranosyl)-6-(imidazol-1-yl)purine","","- C15 H16 N6 O5 -","- C15 H16 N6 O5 -","- C120 H128 N48 O40 -","8","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0294","0.0289","","","0.0776","0.0782","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021706","9.702","0.003","10.67","0.003","29.835","0.008","90","","90","","90","","3088.4","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-2-chloro-6- (4,5-diphenylimidazol-1-yl)purine","","- C31 H27 Cl N6 O7 -","- C31 H27 Cl N6 O7 -","- C124 H108 Cl4 N24 O28 -","4","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0448","0.0281","","","0.0604","0.0675","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021707","9.9025","0.0017","13.057","0.0015","19.969","0.002","90","","90","","90","","2582","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","9-(5-O-tert-butyldimethylsilyl-2,3-dideoxy-3-iodo- β-D-threo-pentofuranosyl)-6-(2,5-dimethylpyrrol-1-yl)purine","","- C22 H32 I N5 O2 Si -","- C22 H32 I N5 O2 Si -","- C88 H128 I4 N20 O8 Si4 -","4","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0942","0.0488","","","0.0743","0.0863","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021708","5","0.001","9.13","0.002","10.483","0.003","90","","91.434","0.011","90","","478.4","0.2","150","2","150","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","Paquette 1404","","","- C9 H18 O5 -","- C9 H18 O5 -","- C18 H36 O10 -","2","1","","Leo A. Paquette; Yunlong Zhang","From Common Carbohydrates to Enantiopure Cyclooctane Polyols and Glycomimetics via Deoxygenative Zirconocene Ring Contraction","Journal of Organic Chemistry","2006","71","","4353","4363","10.1021/jo051989g","","x-ray","0.71073","MoKα","","0.0471","0.0389","","","0.0887","0.093","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021709","7.5","0.001","10.249","0.002","29.643","0.006","90","","90","","90","","2278.6","0.7","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","Paquette 1365","","","- C22 H36 O6 Si -","- C22 H36 O6 Si -","- C88 H144 O24 Si4 -","4","1","","Leo A. Paquette; Yunlong Zhang","From Common Carbohydrates to Enantiopure Cyclooctane Polyols and Glycomimetics via Deoxygenative Zirconocene Ring Contraction","Journal of Organic Chemistry","2006","71","","4353","4363","10.1021/jo051989g","","x-ray","0.71073","MoKα","","0.0664","0.0458","","","0.0992","0.1075","","","","","","1.069","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021710","11.2797","0.0011","11.9022","0.0011","13.0227","0.0012","90","","90","","90","","1748.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0442","0.0336","","","0.1008","0.1129","","","","","","0.826","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021711","14.553","0.004","13.477","0.003","11.77","0.003","90","","108.896","0.005","90","","2184","0.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C104 H116 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0761","0.0524","","","0.1311","0.148","","","","","","0.931","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021712","10.2983","0.0008","10.946","0.0009","13.785","0.0012","90","","90","","90","","1553.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0778","0.0645","","","0.1901","0.2024","","","","","","1.45","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021713","6.9263","0.0006","12.6281","0.001","18.6474","0.0015","90","","90","","90","","1631","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0377","0.0346","","","0.1158","0.1195","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021714","24.233","0.005","13.861","0.003","18.487","0.004","90","","107.5","0.03","90","","5922","2","123","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C81 H46 Cl4 O12 -","- C81 H46 Cl4 O12 -","- C324 H184 Cl16 O48 -","4","1","","Fudong Wang; Zuo Xiao; Zhipeng Yao; Zhenshan Jia; Shaohua Huang; Liangbing Gan; Jiang Zhou; Gu Yuan; Shiwei Zhang","Lewis Acid Promoted Preparation of Isomerically Pure Fullerenols from Fullerene Peroxides C~60~(OOt-Bu)~6~ and C~60~(O)(OOt-Bu)~6~","Journal of Organic Chemistry","2006","71","","4374","4382","10.1021/jo060012o","","","0.71073","MoKα","","0.1739","0.082","","","0.1931","0.2205","","","","","","1.009","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021715","13.301","0.003","14.292","0.003","18.349","0.004","99.32","0.03","94.56","0.03","108.96","0.03","3222.5","1.1","123","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C84.5 H52 O13 S5 -","- C84.5 H52 O13 S5 -","- C169 H104 O26 S10 -","2","1","","Fudong Wang; Zuo Xiao; Zhipeng Yao; Zhenshan Jia; Shaohua Huang; Liangbing Gan; Jiang Zhou; Gu Yuan; Shiwei Zhang","Lewis Acid Promoted Preparation of Isomerically Pure Fullerenols from Fullerene Peroxides C~60~(OOt-Bu)~6~ and C~60~(O)(OOt-Bu)~6~","Journal of Organic Chemistry","2006","71","","4374","4382","10.1021/jo060012o","","","0.71073","MoKα","","0.1043","0.0773","","","0.2138","0.2317","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021716","12.427","0.003","12.482","0.003","20.495","0.004","78.28","0.03","89.97","0.03","78.6","0.03","3049","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cl2 N3 O4 -","- C32 H31 Cl2 N3 O4 -","- C128 H124 Cl8 N12 O16 -","4","2","","Ying Cheng; Bo Wang; Lan-Qing Cheng","High Nucleophilicity of Cyclic Amidocarbene toward Aryl Isocyanates, New Approach to Spiro[azetidinone-4,3'-indolinone] Derivatives","Journal of Organic Chemistry","2006","71","","4418","4427","10.1021/jo060265h","","","0.71073","MoKα","","0.1537","0.0699","","","0.1747","0.2055","","","","","","1.011","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021717","12.156","0.002","13.886","0.003","17.364","0.004","90","","103.23","0.03","90","","2853.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Br2 N3 O3 -","- C30 H27 Br2 N3 O3 -","- C120 H108 Br8 N12 O12 -","4","1","","Ying Cheng; Bo Wang; Lan-Qing Cheng","High Nucleophilicity of Cyclic Amidocarbene toward Aryl Isocyanates, New Approach to Spiro[azetidinone-4,3'-indolinone] Derivatives","Journal of Organic Chemistry","2006","71","","4418","4427","10.1021/jo060265h","","","0.71073","MoKα","","0.1427","0.0526","","","0.1225","0.1471","","","","","","0.833","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021718","17.945","0.004","8.919","0.0018","28.366","0.006","90","","105.7","0.03","90","","4370.6","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H36 Br2 Cl N3 O4 -","- C50 H36 Br2 Cl N3 O4 -","- C200 H144 Br8 Cl4 N12 O16 -","4","1","","Ying Cheng; Bo Wang; Lan-Qing Cheng","High Nucleophilicity of Cyclic Amidocarbene toward Aryl Isocyanates, New Approach to Spiro[azetidinone-4,3'-indolinone] Derivatives","Journal of Organic Chemistry","2006","71","","4418","4427","10.1021/jo060265h","","","0.71073","MoKα","","0.1076","0.0679","","","0.2042","0.2341","","","","","","1.046","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021719","19.1714","0.0002","19.1714","0.0002","23.39","0.0003","90","","90","","90","","8596.82","0.17","150","","150","","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","","","- C22 H30 N2 O2 Os -","- C22 H30 N2 O2 Os -","- C352 H480 N32 O32 Os16 -","16","1","","Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker","New Osmium-Based Reagent for the Dihydroxylation of Alkenes","Journal of Organic Chemistry","2006","71","","4481","4489","10.1021/jo060301c","","","0.71073","MoKα","","0.0431","0.0272","","0.051","0.0299","0.0299","","","","","","1.0711","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021720","9.3653","0.0002","17.3355","0.0004","16.0132","0.0003","90","","94.3128","0.001","90","","2592.42","0.09","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N2 O3 Os -","- C26 H38 N2 O3 Os -","- C104 H152 N8 O12 Os4 -","4","1","","Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker","New Osmium-Based Reagent for the Dihydroxylation of Alkenes","Journal of Organic Chemistry","2006","71","","4481","4489","10.1021/jo060301c","","","0.71073","MoKα","","0.041","0.0277","","0.0404","0.0321","0.0321","","","","","","1.0623","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021721","6.1505","0.0002","12.5027","0.0002","16.6071","0.0003","90","","90","","90","","1277.05","0.05","150","","150","","","","","","","","?","5","P b c n","-P 2n 2ab","60","","","","- C10 H22 N2 O2 Os -","- C10 H22 N2 O2 Os -","- C40 H88 N8 O8 Os4 -","4","0.5","","Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker","New Osmium-Based Reagent for the Dihydroxylation of Alkenes","Journal of Organic Chemistry","2006","71","","4481","4489","10.1021/jo060301c","","","0.71073","MoKα","","0.0341","0.0225","","0.0348","0.0302","0.0302","","","","","","1.0531","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021722","15.0702","0.0006","9.4707","0.0004","17.8664","0.0007","90","","91.564","0.001","90","","2549.04","0.18","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-3,5-di(bromomethyl)-4-tert-butylmorpholine","","- C10 H19 Br2 N O -","- C10 H19 Br2 N O -","- C80 H152 Br16 N8 O8 -","8","2","","Matthias D'hooghe; Tim Vanlangendonck; Karl W. Törnroos; Norbert De Kimpe","Novel Synthesis of cis-3,5-Disubstituted Morpholine Derivatives","Journal of Organic Chemistry","2006","71","","4678","4681","10.1021/jo060313y","","","0.71073","MoKα","","0.033","0.0229","","","0.0476","0.0512","","","","","","1.016","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021723","14.6581","0.0011","12.0535","0.0009","9.6751","0.0007","90","","90","","90","","1709.4","0.2","298","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-(1-tert-Butyl-1-methoxy-2,2-dimethyl-propyl)-2-isopropyl-benzene 4","","- C19 H32 O -","- C19 H32 O -","- C76 H128 O4 -","4","0.5","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti","Structure, Conformation, and Stereodynamics of the Atropisomers of Highly Hindered Benzyl Ethers","Journal of Organic Chemistry","2006","71","","4490","4496","10.1021/jo0603173","","","0.71073","MoKα","","0.0541","0.0412","","","0.1414","0.152","","","","","","1.023","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021724","15.698","0.003","9.7251","0.0016","16.164","0.003","90","","108.106","0.003","90","","2345.6","0.7","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N4 O6 -","- C26 H26 N4 O6 -","- C104 H104 N16 O24 -","4","0.5","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0566","0.0459","","","0.1128","0.1204","","","","","","1.02","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021725","18.3914","0.0016","12.5889","0.0011","32.662","0.003","90","","122.009","0.004","90","","6412.4","1","292","2","273","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C60 H70 N8 O21 -","- C60 H70 N8 O21 -","- C240 H280 N32 O84 -","4","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.1153","0.0638","","","0.0937","0.0995","","","","","","1.031","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021726","29.7596","0.0018","29.7596","0.0018","14.0373","0.0016","90","","90","","90","","12431.9","1.8","292","2","292","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C32 H37 N5 O6 -","- C32 H37 N5 O6 -","- C512 H592 N80 O96 -","16","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0769","0.0452","","","0.1179","0.1302","","","","","","0.928","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021727","9.8669","0.0013","10.4332","0.0013","15.6359","0.0019","98.861","0.002","93.896","0.002","102.489","0.002","1544.2","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 Cl N4 O10 -","- C31 H34 Cl N4 O10 -","- C62 H68 Cl2 N8 O20 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0923","0.0605","","","0.1714","0.2119","","","","","","1.037","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021728","8.4288","0.0016","11.561","0.002","13.722","0.003","94.82","0.003","98.701","0.003","90.263","0.004","1316.9","0.4","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N6 O10 -","- C26 H24 N6 O10 -","- C52 H48 N12 O20 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0734","0.0578","","","0.163","0.1803","","","","","","1.039","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021729","9.945","0.0008","22.6112","0.0017","25.928","0.002","90","","95.379","0.002","90","","5804.6","0.8","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl3 N12 O20 -","- C53 H49 Cl3 N12 O20 -","- C212 H196 Cl12 N48 O80 -","4","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.1164","0.0606","","","0.159","0.1766","","","","","","0.914","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021730","9.9585","0.0008","10.4964","0.0009","14.6205","0.0012","71.555","0.002","86.28","0.002","78.775","0.002","1422","0.2","292","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N6 O12 -","- C28 H28 N6 O12 -","- C56 H56 N12 O24 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.1075","0.0695","","","0.1892","0.2308","","","","","","1.035","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021731","12.9697","0.0015","15.7345","0.0018","28.299","0.003","90","","101.549","0.002","90","","5658.1","1.1","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N6 O12 -","- C28 H28 N6 O12 -","- C224 H224 N48 O96 -","8","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0983","0.0577","","","0.1342","0.154","","","","","","1.026","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021732","10.139","0.012","12.672","0.015","13.818","0.017","78.23","0.02","68.9","0.02","70.97","0.02","1558","3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 Cl N4 O10 -","- C31 H34 Cl N4 O10 -","- C62 H68 Cl2 N8 O20 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0937","0.0614","","","0.175","0.219","","","","","","1.044","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021733","9.6701","0.0012","13.4476","0.0016","13.6194","0.0016","89.008","0.002","72.456","0.002","73.091","0.002","1610.9","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H35 Cl3 N4 O8 -","- C31 H35 Cl3 N4 O8 -","- C62 H70 Cl6 N8 O16 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0937","0.0609","","","0.1665","0.1982","","","","","","0.993","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021734","22.813","0.005","14.951","0.003","18.936","0.004","90","","90","","90","","6458","2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H34 Cl3 N4 O9.5 -","- C29 H34 Cl3 N4 O9.5 -","- C232 H272 Cl24 N32 O76 -","8","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0934","0.0733","","","0.1754","0.1918","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021735","9.7628","0.0009","12.5244","0.0011","13.9344","0.0012","102.227","0.002","94.988","0.002","99.295","0.002","1630.3","0.3","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C68 H96 O16 -","- C68 H96 O16 -","- C68 H96 O16 -","1","0.5","","Shigeo Kohmoto; Yasunobu Someya; Hyuma Masu; Kentaro Yamaguchi; Keiki Kishikawa","Liquid Crystal and Crystal Structure of Octahomotetraoxacalix[4]arenes","Journal of Organic Chemistry","2006","71","","4509","4515","10.1021/jo060355m","","","0.71073","MoKα","","0.1149","0.0715","","","0.1973","0.2268","","","","","","1.073","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021736","9.5109","0.0007","9.1849","0.0007","12.3031","0.0009","90","","100.176","0.001","90","","1057.85","0.14","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(1R*,2S*,3S*)-3-(4-Hydroxyphenyl)-cyclohex-4-ene-1,2-diol","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","David Crich; Daniel Grant; Donald J. Wink","Expedient Two-Step Synthesis of Phenolic Cyclitols from Benzene","Journal of Organic Chemistry","2006","71","","4521","4524","10.1021/jo0603734","","","0.71073","MoKα","","0.0529","0.0445","","","0.1184","0.1231","","","","","","1.037","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021737","19.799","0.003","6.541","0.0011","17.571","0.003","90","","107.194","0.003","90","","2173.8","0.6","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1R,2S,3r,4R,5S)-3-(2-Hydroxyphenyl)-1,2,4,5-cyclohexanetetraol","","- C12 H16 O5 -","- C12 H16 O5 -","- C96 H128 O40 -","8","1","","David Crich; Daniel Grant; Donald J. Wink","Expedient Two-Step Synthesis of Phenolic Cyclitols from Benzene","Journal of Organic Chemistry","2006","71","","4521","4524","10.1021/jo0603734","","","0.71073","MoKα","","0.0677","0.063","","","0.1503","0.1525","","","","","","1.226","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021738","10.087","0.003","5.4955","0.0015","14.843","0.004","90","","97.321","0.015","90","","816.1","0.4","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 -","- C18 H30 O2 -","- C36 H60 O4 -","2","1","","Vikram C. Purohit; Robyn D. Richardson; Jeffrey W. Smith; Daniel Romo","Practical, Catalytic, Asymmetric Synthesis of β-Lactones via a Sequential Ketene Dimerization/Hydrogenation Process: Inhibitors of the Thioesterase Domain of Fatty Acid Synthase","Journal of Organic Chemistry","2006","71","","4549","4558","10.1021/jo060392d","","","1.54178","CuKα","","0.0964","0.0615","","","0.139","0.154","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021739","10.571","0.003","10.934","0.003","12.616","0.004","71.74","0.03","75.85","0.04","66.9","0.03","1261.3","0.7","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","4,5-Diethylcarboxy-2,7-bis(1,1-dimethylethyl)- 9,9-dimethyl-xanthene","","- C27 H34 O5 -","- C27 H34 O5 -","- C54 H68 O10 -","2","1","","Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer","Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites","Journal of Organic Chemistry","2006","71","","4559","4564","10.1021/jo060394y","","","0.71073","MoKα","","0.1333","0.0887","","","0.2116","0.2486","","","","","","0.896","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021740","11.407","0.003","14.078","0.004","17.325","0.004","96.17","0.03","93.52","0.03","100.92","0.03","2706.4","1.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","2,7-Bis(1,1-dimethylethyl)-9,9-dimethyl-4,5-bis(1-(2,3-dimethylphenyl amino)-3-(2,3-dimethylphenylimino)iso-propenyl)-xanthene","","- C63 H76 N4 O2 -","- C63 H70 N4 O2 -","- C126 H140 N8 O4 -","2","1","","Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer","Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites","Journal of Organic Chemistry","2006","71","","4559","4564","10.1021/jo060394y","","","0.71073","MoKα","","0.1114","0.0593","","","0.1396","0.1581","","","","","","0.869","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021741","17.47","0.002","28.695","0.004","27.5","0.003","90","","90","","90","","13786","3","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dilithium 2,7-Bis(1,1-dimethylethyl)9,9-dimethyl-4,5-bis(1-(2,3-dimethyl phenylamido)-3-(2,3-dimethylphenylimino)iso-propenyl)-xanthene","","- C73 H98 Li2 N4 O4 -","- C73 H98 Li2 N4 O4 -","- C584 H784 Li16 N32 O32 -","8","1","","Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer","Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites","Journal of Organic Chemistry","2006","71","","4559","4564","10.1021/jo060394y","","","0.71073","MoKα","","0.1582","0.0907","","","0.2299","0.2549","","","","","","0.87","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021742","9.071","0.002","14.515","0.003","17.209","0.004","90","","95.318","0.005","90","","2256.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4c","N-cyclohexyl-1-[N'-carbamoyl-N-(2-oxo-2-phenylacetyl) hydrazino]cyclohexanecarboxamide","","- C22 H30 N4 O4 -","- C22 H30 N4 O4 -","- C88 H120 N16 O16 -","4","1","","María Sañudo; Stefano Marcaccini; Sara Basurto; Tomás Torroba","Synthesis of 3-Hydroxy-6-oxo[1,2,4]triazin-1-yl Alaninamides, a New Class of Cyclic Dipeptidyl Ureas","Journal of Organic Chemistry","2006","71","","4578","4584","10.1021/jo060434y","","","0.71073","MoKα","","0.182","0.1052","","","0.3034","0.3495","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021743","11.367","0.004","15.514","0.005","11.871","0.004","90","","116.88","0.004","90","","1867.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5a","N-Cyclohexyl-2-(3-hydroxy-6-oxo-5- phenyl-6H-[1,2,4]triazin-1-yl)isobutyramide","","- C19 H24 N4 O3 -","- C19 H24 N4 O3 -","- C76 H96 N16 O12 -","4","1","","María Sañudo; Stefano Marcaccini; Sara Basurto; Tomás Torroba","Synthesis of 3-Hydroxy-6-oxo[1,2,4]triazin-1-yl Alaninamides, a New Class of Cyclic Dipeptidyl Ureas","Journal of Organic Chemistry","2006","71","","4578","4584","10.1021/jo060434y","","","0.71073","MoKα","","0.1322","0.0788","","","0.2226","0.2495","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021744","7.912","0.002","9.492","0.001","12.597","0.002","102.24","0.01","99.95","0.02","96.12","0.02","900.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H10 F6 O4 -","- C21 H10 F6 O4 -","- C42 H20 F12 O8 -","2","1","","Vyacheslav Ya. Sosnovskikh; Vladislav Yu. Korotaev; Dmitry L. Chizhov; Igor B. Kutyashev; Danil S. Yachevskii; Olga N. Kazheva; Oleg A. Dyachenko; Valery N. Charushin","Reaction of Polyhaloalkyl-Substituted Chromones, Pyrones, and Furanones with Salicylaldehydes as a Direct Route to Fused 2H-Chromenes","Journal of Organic Chemistry","2006","71","","4538","4543","10.1021/jo060459x","","","0.7107","MoKα","","0.0397","0.0355","","","0.0912","0.0942","","","","","","1.045","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021745","11.053","0.002","12.222","0.002","13.902","0.002","90","","97.37","0.02","90","","1862.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H10 F6 O4 -","- C21 H10 F6 O4 -","- C84 H40 F24 O16 -","4","1","","Vyacheslav Ya. Sosnovskikh; Vladislav Yu. Korotaev; Dmitry L. Chizhov; Igor B. Kutyashev; Danil S. Yachevskii; Olga N. Kazheva; Oleg A. Dyachenko; Valery N. Charushin","Reaction of Polyhaloalkyl-Substituted Chromones, Pyrones, and Furanones with Salicylaldehydes as a Direct Route to Fused 2H-Chromenes","Journal of Organic Chemistry","2006","71","","4538","4543","10.1021/jo060459x","","","0.7107","MoKα","","0.0446","0.0343","","","0.0869","0.0921","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021746","9.0507","0.0015","6.9774","0.0012","14.452","0.002","90","","103.996","0.003","90","","885.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","","Cristiano Raminelli; Zhijian Liu; Richard C. Larock","Regioselective Synthesis of 3-(2-Hydroxyaryl)pyridines via Arynes and Pyridine N-Oxides","Journal of Organic Chemistry","2006","71","","4689","4691","10.1021/jo060523a","","","0.71073","MoKα","","0.0443","0.038","","","0.109","0.1162","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021747","7.4164","0.0018","12.426","0.003","20.103","0.005","90","","90","","90","","1852.6","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C96 H64 N16 O8 -","8","2","","Cristiano Raminelli; Zhijian Liu; Richard C. Larock","Regioselective Synthesis of 3-(2-Hydroxyaryl)pyridines via Arynes and Pyridine N-Oxides","Journal of Organic Chemistry","2006","71","","4689","4691","10.1021/jo060523a","","","0.71073","MoKα","","0.0379","0.0332","","","0.086","0.0896","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021748","14.6298","0.001","25.9566","0.001","18.5998","0.001","90","0.01","111.751","0.01","90","0.01","6560.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H33 O6 -","- C39 H33 O6 -","- C312 H264 O48 -","8","1","","Arkasish Bandyopadhyay; Babu Varghese; Sethuraman Sankararaman","Synthesis of 1,4-Cyclohexadiene-Based Acetylenic Macrocycles with Cadiot-Chodkiewicz Coupling. Structure of a Tub-Shaped Tetrameric Container","Journal of Organic Chemistry","2006","71","","4544","4548","10.1021/jo0605290","","","1.5418","CuKα","","0.1926","0.1085","","","0.2421","0.268","","","","","","0.866","","","","has coordinates","259535","2020-12-04","06:04:51",""
"4021749","14.832","0.006","25.376","0.008","12.737","0.004","90","","90","","90","","4794","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C52 H48 O10 -","- C52 H48 O10 -","- C208 H192 O40 -","4","0.5","","Arkasish Bandyopadhyay; Babu Varghese; Sethuraman Sankararaman","Synthesis of 1,4-Cyclohexadiene-Based Acetylenic Macrocycles with Cadiot-Chodkiewicz Coupling. Structure of a Tub-Shaped Tetrameric Container","Journal of Organic Chemistry","2006","71","","4544","4548","10.1021/jo0605290","","","0.71069","MoKα","","0.1521","0.0583","","","0.1436","0.1715","","","","","","1.022","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021750","12.524","0.003","8.4105","0.0017","14.315","0.003","90","","112.12","0.03","90","","1396.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-bis(hexoxy)-1,2-bis(2,6-dibromopyrid-4-yl)ethane","","- C12 H16 Br2 N O -","- C12 H16 Br2 N O -","- C48 H64 Br8 N4 O4 -","4","1","","Chad M. Amb; Seth C. Rasmussen","6,6'-Dibromo-4,4'-di(hexoxymethyl)-2,2'- bipyridine: A New Solubilizing Building Block for Macromolecular and Supramolecular Applications","Journal of Organic Chemistry","2006","71","","4696","4699","10.1021/jo060557i","","","0.71073","MoKα","","0.1279","0.0379","","","0.0708","0.0969","","","","","","0.977","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021751","8.6992","0.0003","6.3159","0.0002","39.6797","0.0015","90","","90","","90","","2180.13","0.13","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","2","","Fatiah Issa; Joshua Fischer; Peter Turner; Mark J. Coster","Regioselective Reduction of 3-Methoxymaleimides: An Efficient Method for the Synthesis of Methyl 5-Hydroxytetramates","Journal of Organic Chemistry","2006","71","","4703","4705","10.1021/jo0605750","","","0.71073","MoKα","","0.052","0.0365","","","0.0678","0.0689","","","","","","1.184","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021752","9.721","0.001","9.8697","0.0006","14.583","0.001","88.249","0.004","74.925","0.004","86.837","0.004","1348.7","0.2","113.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 N6 O14 -","- C58 H66 N6 O14 -","- C58 H66 N6 O14 -","1","0.5","","Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol","Journal of Organic Chemistry","2006","71","","4723","4733","10.1021/jo0600196","","","0.7107","MoKα","","","0.0455","","","","0.1144","","","","","","1.274","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021753","8.061","0.004","24.011","0.01","15.935","0.007","90","","104.634","0.0015","90","","2984","2","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C72 H68 N4 O14 -","- C72 H68 N4 O14 -","- C144 H136 N8 O28 -","2","0.5","","Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol","Journal of Organic Chemistry","2006","71","","4723","4733","10.1021/jo0600196","","","0.7107","MoKα","","","0.0478","","","","0.1297","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021754","8.765","0.005","12.877","0.006","13.308","0.006","63.612","0.012","83.379","0.016","78.521","0.015","1318.1","1.1","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H60 N4 O13 -","- C62 H60 N4 O13 -","- C62 H60 N4 O13 -","1","0.5","","Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol","Journal of Organic Chemistry","2006","71","","4723","4733","10.1021/jo0600196","","","0.7107","MoKα","","","0.0436","","","","0.1351","","","","","","1.004","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021755","8.2594","0.0004","14.7704","0.0008","20.8394","0.0009","90.058","0.004","89.99","0.004","89.935","0.004","2542.3","0.2","100","","100","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 F N2 O4 -","- C30 H29 F N2 O4 -","- C120 H116 F4 N8 O16 -","4","1","","Tilak Chandra; Xiang Zou; Edward J. Valente; Kenneth L. Brown","Regio- and Stereoselective Glycosylation: Synthesis of 5-Haloimidazole α-Ribonucleosides","Journal of Organic Chemistry","2006","71","","5000","5003","10.1021/jo060087s","","x-ray","0.71073","MoKα","","0.0463","0.0378","","","0.0924","0.0953","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021756","10.47","0.002","36.98","0.006","6.81","0.0008","90","","97.12","0.007","90","","2616.4","0.7","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 N2 O2 -","- C30 H35 N2 O2 -","- C120 H140 N8 O8 -","4","1","","Yozo Miura; Yoshikazu Muranaka; Yoshio Teki","New Method for the Synthesis of N-tert-Alkoxyarylaminyl Radicals","Journal of Organic Chemistry","2006","71","","4786","4794","10.1021/jo0600959","","","0.7107","MoKα","","","0.0941","","","","0.2242","","","","","","1.434","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021757","49.366","0.005","9.5302","0.0009","11.6401","0.0011","90","","98.786","0.005","90","","5412","0.9","203","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 Cl2 N2 O -","- C29 H31 Cl2 N2 O -","- C232 H248 Cl16 N16 O8 -","8","1","","Yozo Miura; Yoshikazu Muranaka; Yoshio Teki","New Method for the Synthesis of N-tert-Alkoxyarylaminyl Radicals","Journal of Organic Chemistry","2006","71","","4786","4794","10.1021/jo0600959","","","0.7107","MoKα","","0.0838","0.075","","","0.1601","0.1646","","","","","","1.183","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021758","21.1411","0.0008","12.4781","0.0005","8.2457","0.0003","90","","108.638","0.002","90","","2061.15","0.14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H30 N8 O2 -","- C17 H30 N8 O2 -","- C68 H120 N32 O8 -","4","0.5","","David J. R. Brook; Gordon T. Yee","Radical-Radical Interaction through a Saturated Link: Methylenebis-6-oxoverdazyl","Journal of Organic Chemistry","2006","71","","4889","4895","10.1021/jo060165b","","","0.71073","MoKα","","0.0614","0.0435","","","0.1111","0.1233","","","","","","1.039","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021759","6.043","0.0005","6.9857","0.0005","21.1694","0.0018","90","","94.074","0.001","90","","891.4","0.12","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl3 N2 -","- C7 H5 Cl3 N2 -","- C28 H20 Cl12 N8 -","4","1","","Tomas Martinu; William P. Dailey","Reactivity of 1-Chloro-3-phenyldiazirines","Journal of Organic Chemistry","2006","71","","5012","5015","10.1021/jo060341g","","","0.71069","MoKα","","0.0283","0.0264","","","0.0694","0.0706","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021760","12.5066","0.0011","6.4952","0.0006","12.8842","0.0012","90","","116.588","0.002","90","","935.94","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C40 H42 N2 O10 -","2","1","","Benito Alcaide; Pedro Almendros; Amparo Luna; M. Rosario Torres","Proline-Catalyzed Diastereoselective Direct Aldol Reaction between 4-Oxoazetidine-2-carbaldehydes and Ketones","Journal of Organic Chemistry","2006","71","","4818","4822","10.1021/jo0604235","","","0.71073","MoKα","","0.0929","0.0402","","","0.07","0.0837","","","","","","0.851","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021761","13.592","0.002","5.98","0.0009","13.892","0.002","90","","119.223","0.002","90","","985.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C44 H46 N2 O10 -","2","1","","Benito Alcaide; Pedro Almendros; Amparo Luna; M. Rosario Torres","Proline-Catalyzed Diastereoselective Direct Aldol Reaction between 4-Oxoazetidine-2-carbaldehydes and Ketones","Journal of Organic Chemistry","2006","71","","4818","4822","10.1021/jo0604235","","","0.71073","MoKα","","0.152","0.0517","","","0.101","0.1264","","","","","","0.825","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021762","7.543","0.0001","10.508","0.0002","21.921","0.0004","90","","90","","90","","1737.5","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 S -","- C20 H20 O4 S -","- C80 H80 O16 S4 -","4","1","","Don Antoine Lanfranchi; Gilles Hanquet","Asymmetric Diels-Alder Reactions of a New Enantiomerically Pure Sulfinylquinone: A Straightforward Access to Functionalized Wieland-Miescher Ketone Analogues with (R) Absolute Configuration","Journal of Organic Chemistry","2006","71","","4854","4861","10.1021/jo060486n","","","0.71073","MoKα","","0.048","0.0372","","","0.088","0.0937","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021763","8.938","0.005","9.571","0.004","9.327","0.005","90","","94.63","0.02","90","","795.3","0.7","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C30 H50 N2 O8 -","2","1","","Yoshikazu Sasaki; Ayumu Niida; Takashi Tsuji; Akira Shigenaga; Nobutaka Fujii; Akira Otaka","Stereoselective Synthesis of (Z)-Alkene-Containing Proline Dipeptide Mimetics","Journal of Organic Chemistry","2006","71","","4969","4979","10.1021/jo0606002","","","0.7107","MoKα","","","0.05","","","","0.098","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021764","5.209","0.001","8.188","0.002","18.667","0.006","90","","90","","90","","796.1","0.4","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O -","- C9 H13 N O -","- C36 H52 N4 O4 -","4","1","","Yoshikazu Sasaki; Ayumu Niida; Takashi Tsuji; Akira Shigenaga; Nobutaka Fujii; Akira Otaka","Stereoselective Synthesis of (Z)-Alkene-Containing Proline Dipeptide Mimetics","Journal of Organic Chemistry","2006","71","","4969","4979","10.1021/jo0606002","","","0.7107","MoKα","","","0.057","","","","0.156","","","","","","1.016","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021765","11.8863","0.0014","5.3819","0.0007","22.632","0.003","90","","101.436","0.002","90","","1419","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Osajaxanthone","","","- C18 H14 O5 -","- C18 H14 O5 -","- C72 H56 O20 -","4","1","","Mukulesh Mondal; Vedavati G. Puranik; Narshinha P. Argade","Facile Synthesis of 1,3,7-Trihydroxyxanthone and Its Regioselective Coupling Reactions with Prenal: Simple and Efficient Access to Osajaxanthone and Nigrolineaxanthone F","Journal of Organic Chemistry","2006","71","","4992","4995","10.1021/jo0606655","","","0.71073","MoKα","","0.068","0.0338","","","0.0724","0.0807","","","","","","0.842","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021766","18.5994","0.0009","10.662","0.0005","14.7627","0.0007","90","","102.537","0.001","90","","2857.7","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","NigrolineaxanthoneF","","","- C18 H14 O5 -","- C18 H14 O5 -","- C144 H112 O40 -","8","1","","Mukulesh Mondal; Vedavati G. Puranik; Narshinha P. Argade","Facile Synthesis of 1,3,7-Trihydroxyxanthone and Its Regioselective Coupling Reactions with Prenal: Simple and Efficient Access to Osajaxanthone and Nigrolineaxanthone F","Journal of Organic Chemistry","2006","71","","4992","4995","10.1021/jo0606655","","","0.71073","MoKα","","0.0479","0.0424","","","0.1095","0.1157","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021767","6.5552","0.0001","7.6732","0.0001","12.5769","0.0002","90","","98.603","0.001","90","","625.492","0.016","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H15 N -","- C16 H15 N -","- C32 H30 N2 -","2","1","","Manyam Praveen Kumar; Rai-Shung Liu","Zn(OTf)~2~-Catalyzed Cyclization of Proparyl Alcohols with Anilines, Phenols, and Amides for Synthesis of Indoles, Benzofurans, and Oxazoles through Different Annulation Mechanisms","Journal of Organic Chemistry","2006","71","","4951","4955","10.1021/jo0606711","","","0.71073","MoKα","","0.0588","0.0397","","","0.0908","0.1136","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021768","7.3484","0.0002","10.8617","0.0003","17.3118","0.0005","79.781","0.001","88.252","0.001","82.925","0.001","1349.43","0.07","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","2","","Manyam Praveen Kumar; Rai-Shung Liu","Zn(OTf)~2~-Catalyzed Cyclization of Proparyl Alcohols with Anilines, Phenols, and Amides for Synthesis of Indoles, Benzofurans, and Oxazoles through Different Annulation Mechanisms","Journal of Organic Chemistry","2006","71","","4951","4955","10.1021/jo0606711","","","0.71073","MoKα","","0.1492","0.0815","","","0.241","0.2831","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021769","8.2284","0.0005","14.6764","0.0009","21.4924","0.0013","90","","90","","90","","2595.5","0.3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O S -","- C14 H17 N O S -","- C112 H136 N8 O8 S8 -","8","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0371","0.0308","","","0.08","0.0851","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021770","8.1328","0.0004","9.4467","0.0004","20.376","0.0009","90","","90","","90","","1565.45","0.12","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O S -","- C17 H24 O S -","- C68 H96 O4 S4 -","4","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0292","0.0276","","","0.0728","0.0738","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021771","14.3874","0.0014","5.6698","0.0006","24.607","0.003","90","","90","","90","","2007.3","0.4","163","2","163","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H15 F O -","- C12 H15 F O -","- C96 H120 F8 O8 -","8","2","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0635","0.0503","","","0.1352","0.1454","","","","","","1.046","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021772","6.1056","0.0007","11.1995","0.0014","12.5523","0.0015","93.171","0.002","101.992","0.002","105.393","0.002","803.9","0.17","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H26 O2 S -","- C17 H26 O2 S -","- C34 H52 O4 S2 -","2","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0554","0.0386","","","0.0957","0.107","","","","","","1.049","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021773","8.738","0.009","30.34","0.03","13.872","0.014","90","","91.031","0.016","90","","3677","6","148","2","148","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C144 H216 N8 O16 S8 -","8","2","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.2956","0.2421","","","0.5343","0.5669","","","","","","1.469","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021774","16.8009","0.0018","11.0584","0.0012","20.623","0.002","90","","90","","90","","3831.6","0.7","163","2","163","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H28 O S -","- C22 H28 O S -","- C176 H224 O8 S8 -","8","2","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0467","0.0335","","","0.0729","0.0808","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021775","11.8808","0.0005","19.7939","0.0007","11.3706","0.0004","105.173","0.001","92.806","0.002","84.887","0.001","2569.6","0.2","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 F6 N O11 P -","- C50 H64 F6 N O11 P -","- C100 H128 F12 N2 O22 P2 -","2","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.092","","","","0.265","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021776","18.9561","0.0003","31.016","0.0005","16.5337","0.0003","90","","90","","90","","9720.9","0.3","296.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H63 N O11 -","- C52 H63 N O11 -","- C416 H504 N8 O88 -","8","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.045","","","","0.145","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021777","14.9969","0.0002","29.4294","0.0004","11.8503","0.0001","90","","90","","90","","5230.1","0.1","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H64 N2 O11 -","- C56 H64 N2 O11 -","- C224 H256 N8 O44 -","4","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.045","","","","0.121","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021778","14.6538","0.0004","19.8519","0.0005","15.3287","0.0005","90","","93.445","0.001","90","","4451.1","0.2","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H59 N O11 -","- C46 H55 N O11 -","- C184 H220 N4 O44 -","4","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.065","","","","0.191","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021779","8.5368","0.0008","8.8167","0.001","14.2494","0.0015","86.753","0.008","83.833","0.007","62.065","0.007","942.03","0.17","295","2","","","","","","","","","","2","P -1","-P 1","2","","","","- C24 H28 -","- C24 H28 -","- C48 H56 -","2","1","","Chao Chen; Chanjuan Xi; Yuanyuan Liu; Xiaoyin Hong","Generation of Benzocyclobutadiene Derivatives from Zirconaindene Derivatives","Journal of Organic Chemistry","2006","71","","5373","5376","10.1021/jo060334s","","","0.71073","MoKα","","0.0779","0.0487","","","0.0932","0.1082","","","","","","1.049","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021780","26.953","0.003","26.953","0.003","9.978","0.003","90","","90","","90","","7249","2","295","2","293","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","9,10,diphenylphenanthrene","","- C26 H18 -","- C26 H18 -","- C416 H288 -","16","1","","Chao Chen; Chanjuan Xi; Yuanyuan Liu; Xiaoyin Hong","Generation of Benzocyclobutadiene Derivatives from Zirconaindene Derivatives","Journal of Organic Chemistry","2006","71","","5373","5376","10.1021/jo060334s","","","0.71073","MoKα","","0.3153","0.08","","","0.0889","0.1412","","","","","","0.795","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021781","5.7186","0.0003","11.3015","0.0005","32.3981","0.0016","90","","90","","90","","2093.85","0.18","298","2","298","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Lucile A. Gandon; Alexander G. Russell; Tatyana Güveli; Angela E. Brodwolf; Benson M. Kariuki; Neil Spencer; John S. Snaith","Synthesis of 2,4-Disubstituted Piperidines via Radical Cyclization: Unexpected Enhancement in Diastereoselectivity with Tris(trimethylsilyl)silane","Journal of Organic Chemistry","2006","71","","5198","5207","10.1021/jo060495w","","","1.54178","CuKα","","0.0566","0.0421","","","0.1056","0.115","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021782","8.2329","0.0011","12.4797","0.0016","20.963","0.003","90","","94.791","0.005","90","","2146.3","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H55 N3 O10 S -","- C44 H51 N3 O10 S -","- C88 H102 N6 O20 S2 -","2","1","","Lucile A. Gandon; Alexander G. Russell; Tatyana Güveli; Angela E. Brodwolf; Benson M. Kariuki; Neil Spencer; John S. Snaith","Synthesis of 2,4-Disubstituted Piperidines via Radical Cyclization: Unexpected Enhancement in Diastereoselectivity with Tris(trimethylsilyl)silane","Journal of Organic Chemistry","2006","71","","5198","5207","10.1021/jo060495w","","","1.54178","CuKα","","0.1308","0.1045","","","0.2861","0.3196","","","","","","1.272","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021783","5.439","0.005","8.173","0.001","15.782","0.002","90","","92.39","0.003","90","","700.9","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-methyl-5-oxo-1-phenylhex-1-en-3-yl acetate","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.0601","0.049","","","0.1231","0.1359","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021784","5.466","0.001","9.27","0.001","24.217","0.003","90","","90","","90","","1227.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-methyl-6-phenylhex-5-ene-2,4-diol","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.1022","0.0807","","","0.1918","0.2152","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021785","31.54","0.005","5.608","0.005","8.403","0.005","90","0.005","102.653","0.005","90","0.005","1450.2","1.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","4-hydroxy-3-methyl-6-phenyl-5-en-2-yl acetate","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.0667","0.0609","","","0.1728","0.1854","","","","","","1.125","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021786","8.1665","0.0012","12.191","0.003","25.975","0.006","90","","94.916","0.014","90","","2576.5","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 O3 S -","- C33 H30 O3 S -","- C132 H120 O12 S4 -","4","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0716","0.0433","","","0.0963","0.11","","","","","","1.012","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021787","13.398","0.003","10.8","0.003","18.235","0.004","90","","91.853","0.015","90","","2637.2","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 O3 S -","- C33 H30 O3 S -","- C132 H120 O12 S4 -","4","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0877","0.0492","","","0.1113","0.1321","","","","","","1.02","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021788","10.838","0.008","11.321","0.008","11.438","0.007","109.08","0.04","94.84","0.04","95.86","0.03","1309","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 O3 S -","- C35 H26 O3 S -","- C70 H52 O6 S2 -","2","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.1537","0.1198","","","0.3556","0.3764","","","","","","1.031","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021789","10.228","0.004","10.607","0.003","14.554","0.005","76.54","0.02","87.73","0.02","62.9","0.02","1363","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 O3 S -","- C35 H26 O3 S -","- C70 H52 O6 S2 -","2","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0853","0.0459","","","0.1007","0.1203","","","","","","1.013","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021790","14.174","0.002","13.068","0.002","14.911","0.003","90","","90","","90","","2761.9","0.8","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C35 H26 O3 S -","- C35 H26 O3 S -","- C140 H104 O12 S4 -","4","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0905","0.0493","","","0.0996","0.1179","","","","","","1.006","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021791","8.0947","0.0004","8.6895","0.0005","13.3367","0.0007","96.89","0.002","103.349","0.002","96.254","0.002","897.04","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","","Mateo Alajarín; José Cabrera; Aurelia Pastor; Pilar Sánchez-Andrada; Delia Bautista","On the [2+2] Cycloaddition of 2-Aminothiazoles and Dimethyl Acetylenedicarboxylate. Experimental and Computational Evidence of a Thermal Disrotatory Ring Opening of Fused Cyclobutenes","Journal of Organic Chemistry","2006","71","","5328","5339","10.1021/jo060664c","","","0.71073","MoKα","","0.0459","0.0429","","","0.1053","0.1075","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021792","8.6472","0.0006","12.6628","0.0008","15.9518","0.0011","90","","95.773","0.002","90","","1737.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O4 S -","- C18 H20 N2 O4 S -","- C72 H80 N8 O16 S4 -","4","1","","Mateo Alajarín; José Cabrera; Aurelia Pastor; Pilar Sánchez-Andrada; Delia Bautista","On the [2+2] Cycloaddition of 2-Aminothiazoles and Dimethyl Acetylenedicarboxylate. Experimental and Computational Evidence of a Thermal Disrotatory Ring Opening of Fused Cyclobutenes","Journal of Organic Chemistry","2006","71","","5328","5339","10.1021/jo060664c","","","0.71073","MoKα","","0.0342","0.032","","","0.0849","0.0869","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021793","13.156","0.0002","15.007","0.0002","21.406","0.0004","90","","106.766","0.001","90","","4046.58","0.11","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N6 O8 S4 -","- C40 H38 N6 O8 S4 -","- C160 H152 N24 O32 S16 -","4","0.5","","Václav Št'astný; Ivan Stibor; Ivana Císarřová; Jan Sýkora; Michaela Pojarová; Pavel Lhoták","Synthesis of Unique Cagelike Thiacalix[4]arene Derivatives in a 1,3-Alternate Conformation","Journal of Organic Chemistry","2006","71","","5404","5406","10.1021/jo0607358","","","0.71073","MoKα","","0.0526","0.0415","","0.0601","0.0507","0.0507","","","","","","1.0662","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021794","13.38","0.0003","14.444","0.0003","15.927","0.0004","78.831","0.0014","70.965","0.0011","87.133","0.0014","2854.36","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H57.2 N4 O10 S4 -","- C64 H57.2 N4 O10 S4 -","- C128 H114.4 N8 O20 S8 -","2","1","","Václav Št'astný; Ivan Stibor; Ivana Císarřová; Jan Sýkora; Michaela Pojarová; Pavel Lhoták","Synthesis of Unique Cagelike Thiacalix[4]arene Derivatives in a 1,3-Alternate Conformation","Journal of Organic Chemistry","2006","71","","5404","5406","10.1021/jo0607358","","","0.71073","MoKα","","0.0623","0.0412","","0.0652","0.0486","0.0486","","","","","","1.1044","","","","has coordinates,has disorder","208244","2020-10-21","18:00:00",""
"4021795","21.518","0.0001","27.62","0.0002","18.686","0.0002","90","","107.492","0.0004","90","","10592.1","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H65 Cl N4 O8 S4 -","- C52.5 H65 Cl N4 O8 S4 -","- C420 H520 Cl8 N32 O64 S32 -","8","2","","Václav Št'astný; Ivan Stibor; Ivana Císarřová; Jan Sýkora; Michaela Pojarová; Pavel Lhoták","Synthesis of Unique Cagelike Thiacalix[4]arene Derivatives in a 1,3-Alternate Conformation","Journal of Organic Chemistry","2006","71","","5404","5406","10.1021/jo0607358","","","0.71073","MoKα","","0.0756","0.0506","","0.0758","0.059","0.059","","","","","","1.0892","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021796","8.4065","0.0003","16.0349","0.0007","9.6956","0.0004","90","","91.027","0.001","90","","1306.73","0.09","90","1","90","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 Br2 N O6 -","- C27 H27 Br2 N O6 -","- C54 H54 Br4 N2 O12 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0254","0.0216","","","0.0467","0.0474","","","","","","0.985","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021797","20.5888","0.0005","6.8523","0.0002","15.1405","0.0003","90","","111.949","0.001","90","","1981.19","0.08","90","0.1","90","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H18 Br2 O5 -","- C22 H18 Br2 O5 -","- C88 H72 Br8 O20 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0186","0.0179","","","0.045","0.0452","","","","","","1.044","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021798","7.2726","0.0002","15.5701","0.0005","10.5727","0.0003","90","","102.539","0.001","90","","1168.65","0.06","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","7-(4-Bromo-phenyl)-2-oxa-bicyclo[4.1.0]heptane- 7-carboxylic acid methyl ester","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0155","0.0152","","","0.038","0.038","","","","","","0.931","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021799","10.788","0.0002","9.0472","0.0002","11.5689","0.0002","90","","94.443","0.001","90","","1125.75","0.04","90","2","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 Br2 O5 -","- C24 H22 Br2 O5 -","- C48 H44 Br4 O10 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0238","0.0212","","","0.0503","0.0508","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021800","9.0996","0.0008","9.6184","0.0009","16.7505","0.0015","90","","90","","90","","1466.1","0.2","90","1","90","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[4-Bromophenyl]-1a,6a-dihydro-1H-6-oxacyclopropa[a]indene-1-carboxylic acid methyl ester","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0209","0.018","","","0.0405","0.0412","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021801","9.4056","0.0008","9.2688","0.0009","19.5943","0.0015","90","","93.333","0.003","90","","1705.3","0.3","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H36 Br N O8 -","- C39 H36 Br N O8 -","- C78 H72 Br2 N2 O16 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0489","0.0407","","","0.087","0.089","","","","","","1.265","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021802","9.0453","0.0012","9.4904","0.0013","12.2205","0.0017","103.268","0.002","96.557","0.002","109.701","0.002","940","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 I N5 -","- C17 H22 I N5 -","- C34 H44 I2 N10 -","2","1","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.0356","0.0318","","","0.0752","0.0767","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021803","13.5919","0.0014","19.444","0.002","20.692","0.002","67.405","0.002","74.981","0.002","75.348","0.002","4803.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H27 B Cl F4 N5 Pd -","- C20 H19.5 B Cl F4 N5 Pd -","- C160 H156 B8 Cl8 F32 N40 Pd8 -","8","4","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.1714","0.07","","","0.1729","0.1981","","","","","","0.88","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021804","16.2963","0.0018","8.7755","0.0009","17.3718","0.0019","90","","99.707","0.002","90","","2448.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl N5 O2 -","- C24 H32 Cl N5 O2 -","- C96 H128 Cl4 N20 O8 -","4","1","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.1006","0.0523","","","0.11","0.1243","","","","","","0.853","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021805","22.812","0.003","15.838","0.002","14.956","0.002","90","","90","","90","","5403.8","1.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H34 Cl2 N5 O1.5 Pd -","- C26 H29 Cl2 N5 O1.5 Pd -","- C208 H232 Cl16 N40 O12 Pd8 -","8","1","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.1166","0.0603","","","0.1545","0.1712","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021806","11.579","0.002","7.248","0.0014","11.656","0.002","90","","103.7","0.03","90","","950.4","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H23 O10 -","- C16 H22 O10 -","- C32 H44 O20 -","2","1","","Jialong Yuan; Kristof Lindner; Holger Frauenrath","1-O-Vinyl Glycosides via Tebbe Olefination, Their Use as Chiral Auxiliaries and Monomers","Journal of Organic Chemistry","2006","71","","5457","5467","10.1021/jo0600510","","","1.54178","CuKα","","0.1465","0.1087","","","0.2648","0.3243","","","","","","1.336","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021807","9.667","0.0019","10.054","0.002","12.664","0.003","90","","108.47","0.03","90","","1167.4","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl2 O11 -","- C18 H24 Cl2 O11 -","- C36 H48 Cl4 O22 -","2","1","","Jialong Yuan; Kristof Lindner; Holger Frauenrath","1-O-Vinyl Glycosides via Tebbe Olefination, Their Use as Chiral Auxiliaries and Monomers","Journal of Organic Chemistry","2006","71","","5457","5467","10.1021/jo0600510","","","1.54178","CuKα","","0.0756","0.0737","","","0.1903","0.1946","","","","","","1.167","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021808","6.542","0.0008","11.3679","0.0012","11.5336","0.0012","79.169","0.007","75.112","0.008","85.849","0.01","813.92","0.16","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Br Cl N O2 -","- C16 H17 Br Cl N O2 -","- C32 H34 Br2 Cl2 N2 O4 -","2","1","","Albert Padwa; Kenneth R. Crawford; Christopher S. Straub; Susan N. Pieniazek; K. N. Houk","Halo Substituent Effects on Intramolecular Cycloadditions Involving Furanyl Amides","Journal of Organic Chemistry","2006","71","","5432","5439","10.1021/jo0602322","","","1.54178","CuKα","","0.0364","0.035","","","0.0899","0.0909","","","","","","1.122","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021809","9.6959","0.001","9.2239","0.0006","36.216","0.003","90","","92.532","0.008","90","","3235.8","0.5","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br Cl N O2 -","- C16 H17 Br Cl N O2 -","- C128 H136 Br8 Cl8 N8 O16 -","8","2","","Albert Padwa; Kenneth R. Crawford; Christopher S. Straub; Susan N. Pieniazek; K. N. Houk","Halo Substituent Effects on Intramolecular Cycloadditions Involving Furanyl Amides","Journal of Organic Chemistry","2006","71","","5432","5439","10.1021/jo0602322","","","1.54178","CuKα","","0.0658","0.046","","","0.1139","0.1266","","","","","","1.033","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021810","11.4799","0.0009","11.002","0.0008","13.6671","0.0011","90","","102.557","0.002","90","","1684.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50 O4 Si2 -","- C32 H50 O4 Si2 -","- C64 H100 O8 Si4 -","2","1","","Paula Álvarez-Bercedo; Juan Murga; Miguel Carda; J. Alberto Marco","Stereoselective Synthesis of the Published Structure of Feigrisolide A. Structural Revision of Feigrisolides A and B","Journal of Organic Chemistry","2006","71","","5766","5769","10.1021/jo060314q","","","0.71073","MoKα","","0.1644","0.0601","","","0.0918","0.1196","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021811","9.879","0.005","9.971","0.005","13.983","0.006","65.57","0.02","72.71","0.02","82.83","0.03","1197.5","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","compound 11b","","","- C23 H21 Cl4 O3 P Si -","- C23 H21 Cl4 O3 P Si -","- C46 H42 Cl8 O6 P2 Si2 -","2","1","","Shohei Sase; Naokazu Kano; Takayuki Kawashima","Pentacoordinate 1H-Phosphirenes: Reactivity, Bonding Properties, and Substituent Effects on Their Structures and Thermal Stability","Journal of Organic Chemistry","2006","71","","5448","5456","10.1021/jo060358z","","","0.7107","MoKα","","0.0465","0.0353","","","0.0872","0.0951","","","","","","1.072","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021812","11.908","0.014","13.215","0.015","16.772","0.019","90","","90","","90","","2639","5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound15","","","- C26 H16 Br Cl4 O3 P -","- C26 H16 Br Cl4 O3 P -","- C104 H64 Br4 Cl16 O12 P4 -","4","1","","Shohei Sase; Naokazu Kano; Takayuki Kawashima","Pentacoordinate 1H-Phosphirenes: Reactivity, Bonding Properties, and Substituent Effects on Their Structures and Thermal Stability","Journal of Organic Chemistry","2006","71","","5448","5456","10.1021/jo060358z","","","0.7107","MoKα","","0.1906","0.1557","","","0.3205","0.3419","","","","","","1.19","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021813","10.049","0.003","10.577","0.003","13.329","0.005","70.756","0.017","74.706","0.018","61.338","0.015","1164.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","compound 4a","","","- C26 H15 Cl4 O2 P -","- C26 H15 Cl4 O2 P -","- C52 H30 Cl8 O4 P2 -","2","1","","Shohei Sase; Naokazu Kano; Takayuki Kawashima","Pentacoordinate 1H-Phosphirenes: Reactivity, Bonding Properties, and Substituent Effects on Their Structures and Thermal Stability","Journal of Organic Chemistry","2006","71","","5448","5456","10.1021/jo060358z","","","0.7107","MoKα","","0.0374","0.0307","","","0.0749","0.079","","","","","","1.036","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021814","5.3816","0.0018","8.385","0.003","27.511","0.009","90","","90","","90","","1241.4","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1a","","","- C16 H12 O Se -","- C16 H12 O Se -","- C64 H48 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","0.0254","0.0234","","","0.0457","0.0466","","","","","","1.059","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021815","8.365","0.003","5.537","0.002","38.84","0.003","90","","94.81","0.02","90","","1792.8","1","292.2","","292.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 O2 Se -","- C23 H18 O2 Se -","- C92 H72 O8 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0452","","","0.0329","","","","","1.568","1.568","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021816","9.167","0.001","10.057","0.002","7.759","0.001","106.35","0.01","97.32","0.01","84.94","0.01","679.8","0.2","292.2","","292.2","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl O Se -","- C16 H11 Cl O Se -","- C32 H22 Cl2 O2 Se2 -","2","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.03","","","0.0314","","","","","1.156","1.156","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021817","13.592","0.003","14.685","0.003","7.444","0.001","102.74","0.02","98.73","0.02","71.54","0.02","1369.3","0.5","292.2","","292.2","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N O3 Se -","- C16 H11 N O3 Se -","- C64 H44 N4 O12 Se4 -","4","2","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0419","","","0.0307","","","","","1.528","1.528","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021818","8.03","0.002","17.143","0.002","10.335","0.002","90","","99.31","0.02","90","","1404.1","0.4","298.2","","298.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl2 O Se -","- C16 H10 Cl2 O Se -","- C64 H40 Cl8 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0488","","","0.0513","","","","","1.087","1.087","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021819","4.936","0.002","11.336","0.005","13.923","0.006","108.452","0.006","98.946","0.005","93.199","0.004","725.4","0.5","103","2","103","2","","","","","","","","5","P -1","-P 1","2","4b","","","- C17 H13 Br O2 Se -","- C17 H13 Br O2 Se -","- C34 H26 Br2 O4 Se2 -","2","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","0.0292","0.0245","","","0.0512","0.0533","","","","","","1.061","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021820","24.671","0.004","14.074","0.004","8.717","0.003","89","","89","","90","","3026","2","292.2","","292.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Se -","- C20 H14 Se -","- C160 H112 Se8 -","8","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0435","","","0.0312","","","","","1.757","1.757","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021821","8.401","0.002","29.632","0.004","5.448","0.004","90","","90","","90","","1356.2","0.9","292.2","","292.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O Se -","- C17 H14 O Se -","- C68 H56 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0408","","","0.0411","","","","","1.796","1.796","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021822","7.241","0.002","8.759","0.003","22.891","0.002","90","","93.14","0.02","90","","1449.7","0.5","292.2","","292.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F O2 Se -","- C17 H13 F O2 Se -","- C68 H52 F4 O8 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0331","","","0.0357","","","","","1.843","1.843","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021823","12.955","0.002","7.278","0.002","19.129","0.002","90","","99.985","0.01","90","","1776.4","0.5","292.2","","292.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl O Se -","- C20 H19 Cl O Se -","- C80 H76 Cl4 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0412","","","0.0346","","","","","1.857","1.857","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021824","17.592","0.004","7.785","0.003","24.445","0.003","90","0.02","114.25","0.01","90.01","0.03","3052","1","292.2","","292.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 O Se -","- C20 H14 O Se -","- C160 H112 O8 Se8 -","8","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0349","","","0.037","","","","","1.798","1.798","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021825","7.128","0.0005","11.738","0.0009","17.068","0.003","90","","90","","90","","1428.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 B N P -","- C12 H23 B N P -","- C48 H92 B4 N4 P4 -","4","1","","Jean-Valère Naubron; Laurent Giordano; Frédéric Fotiadu; Thomas Bürgi; Nicolas Vanthuyne; Christian Roussel; Gérard Buono","Chromatographic Resolution, Solution and Crystal Phase Conformations, and Absolute Configuration of tert-Butyl(dimethylamino)phenylphosphine-Borane Complex","Journal of Organic Chemistry","2006","71","","5586","5593","10.1021/jo0605647","","","0.71073","MoKα","","0.0445","0.0389","","","0.097","0.1009","","","","","","1.113","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021826","9.35","0.003","20.265","0.006","9.956","0.003","90","","113.142","0.0011","90","","1734.6","1","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 O4 P -","- C19 H21 O4 P -","- C76 H84 O16 P4 -","4","1","","Yoshihiro Matano; Tooru Miyajima; Takashi Nakabuchi; Yuichiro Matsutani; Hiroshi Imahori","A Convenient Method for the Synthesis of 2,5-Difunctionalized Phospholes Bearing Ester Groups","Journal of Organic Chemistry","2006","71","","5792","5795","10.1021/jo0605748","","","0.7107","MoKα","","","0.0503","","","","0.1221","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021827","7.995","0.008","9.958","0.01","12.6","0.01","100.03","0.01","92.439","0.008","97.54","0.01","977","1","200.2","","","","","","","","","","","5","P -1","-P 1","2","EDT-TnbU","2-{4-(N1'-n-Butyluracil-5'-yl)-1,3-dithiole-2-ylidene}-5,6-dihydro- 1,3-dithiole[4,5-b][1,4]dithiin","","- C16 H16 N2 O2 S6 -","- C16 H16 N2 O2 S6 -","- C32 H32 N4 O4 S12 -","2","1","","Yasushi Morita; Eigo Miyazaki; Yoshikazu Umemoto; Kozo Fukui; Kazuhiro Nakasuji","Two-Dimensional Networks of Ethylenedithiotetrathiafulvalene Derivatives with the Hydrogen-Bonded Functionality of Uracil, and Channel Structure of Its Tetracyanoquinodimethane Complex","Journal of Organic Chemistry","2006","71","","5631","5637","10.1021/jo060748l","","","0.7107","MoKα","","","0.0414","","","","0.1182","","","","","","2.419","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021828","36.01","0.02","5.545","0.003","23.48","0.01","90","","125.16","0.02","90","","3833","3","200.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","EDT-TphU","2-{4-(N1'-n-Phenyluracil-5'-yl)-1,3-dithiole-2-ylidene}-5,6-dihydro- 1,3-dithiole[4,5-b][1,4]dithiin","","- C18 H12 N2 O2 S6 -","- C18 H12 N2 O2 S6 -","- C144 H96 N16 O16 S48 -","8","1","","Yasushi Morita; Eigo Miyazaki; Yoshikazu Umemoto; Kozo Fukui; Kazuhiro Nakasuji","Two-Dimensional Networks of Ethylenedithiotetrathiafulvalene Derivatives with the Hydrogen-Bonded Functionality of Uracil, and Channel Structure of Its Tetracyanoquinodimethane Complex","Journal of Organic Chemistry","2006","71","","5631","5637","10.1021/jo060748l","","","0.7107","MoKα","","","0.0501","","","","0.1099","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021829","4.518","0.002","14.316","0.005","18.966","0.006","89.77","0.01","89.155","0.01","86.373","0.009","1224.2","0.7","113.2","","","","","","","","","","","5","P -1","-P 1","2","EDT-TnbU-TCNQ","2-{4-(N1'-n-Butyluracil-5'-yl)-1,3-dithiole-2-ylidene}-5,6-dihydro- 1,3-dithiole[4,5-b][1,4]dithiin Tetracyanoquinodimethane Complex","","- C44 H36 N8 O4 S12 -","- C44 H36 N8 O4 S12 -","- C44 H36 N8 O4 S12 -","1","0.5","","Yasushi Morita; Eigo Miyazaki; Yoshikazu Umemoto; Kozo Fukui; Kazuhiro Nakasuji","Two-Dimensional Networks of Ethylenedithiotetrathiafulvalene Derivatives with the Hydrogen-Bonded Functionality of Uracil, and Channel Structure of Its Tetracyanoquinodimethane Complex","Journal of Organic Chemistry","2006","71","","5631","5637","10.1021/jo060748l","","","0.7107","MoKα","","","0.0636","","","","0.1373","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021830","6.6934","0.0001","29.198","0.0005","26.3649","0.0006","90","","96.4756","0.0006","90","","5119.72","0.16","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H66 N12 O6 -","- C45 H66 N12 O6 -","- C180 H264 N48 O24 -","4","1","","Philippe Le Grel; Arnaud Salaün; Michel Potel; Barbara Le Grel; Fredéric Lassagne","Aza-β^3^-Cyclohexapeptides: Pseudopeptidic Macrocycles with Interesting Conformational and Configurational Properties Slow Pyramidal Nitrogen Inversion in 24-Membered Rings!","Journal of Organic Chemistry","2006","71","","5638","5645","10.1021/jo0608467","","x-ray","0.71069","MoKα","","0.1766","0.0593","","","0.1362","0.1791","","","","","","0.965","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021831","9.8078","0.0003","11.5104","0.0003","12.6508","0.0004","100.932","0.0011","109.33","0.0011","98.4297","0.0013","1288.98","0.07","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C54 H60 N12 O6 -","- C54 H60 N12 O6 -","- C54 H60 N12 O6 -","1","0.5","","Philippe Le Grel; Arnaud Salaün; Michel Potel; Barbara Le Grel; Fredéric Lassagne","Aza-β^3^-Cyclohexapeptides: Pseudopeptidic Macrocycles with Interesting Conformational and Configurational Properties Slow Pyramidal Nitrogen Inversion in 24-Membered Rings!","Journal of Organic Chemistry","2006","71","","5638","5645","10.1021/jo0608467","","x-ray","0.71069","MoKα","","0.071","0.0448","","","0.1164","0.1327","","","","","","1.026","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021832","25.344","0.003","10.264","0.001","19.173","0.002","90","","123.41","0.01","90","","4163.3","0.9","150","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 N12 O6 -","- C36 H56 N12 O6 -","- C144 H224 N48 O24 -","4","0.5","","Philippe Le Grel; Arnaud Salaün; Michel Potel; Barbara Le Grel; Fredéric Lassagne","Aza-β^3^-Cyclohexapeptides: Pseudopeptidic Macrocycles with Interesting Conformational and Configurational Properties Slow Pyramidal Nitrogen Inversion in 24-Membered Rings!","Journal of Organic Chemistry","2006","71","","5638","5645","10.1021/jo0608467","","x-ray","0.71069","MoKα","","0.0486","0.0412","","","0.1074","0.1137","","","","","","1.041","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021833","13.9628","0.0005","11.9516","0.0004","15.2533","0.0005","90","","116.052","0.001","90","","2286.81","0.13","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Syn-N-[(cis-1-benzenesulfonyl-2-chloro-3-(4-chlorophenyl) aziridin-2-yl)phenylmethyl]isopropylamine","","- C24 H24 Cl2 N2 O2 S -","- C24 H24 Cl2 N2 O2 S -","- C96 H96 Cl8 N8 O8 S4 -","4","1","","Nicola Giubellina; Sven Mangelinckx; Karl W. Törnroos; Norbert De Kimpe","Synthesis of 2-Chloro-2-imidoylaziridines via Aza-Darzens-type Reaction of 3,3-Dichloro-1-azaallylic Anions and N-(Arylsulfonyl)imines","Journal of Organic Chemistry","2006","71","","5881","5887","10.1021/jo060241a","","","0.71073","MoKα","","0.0334","0.0296","","","0.0796","0.0829","","","","","","1.036","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021834","33.411","0.004","7.6918","0.0006","32.527","0.005","90","","93.011","0.004","90","","8347.8","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","chlorin45","","","- C45 H36 F3 N7 O6 -","- C45 H36 F3 N7 O6 -","- C360 H288 F24 N56 O48 -","8","1","","Michał Gałȩzowski; Daniel T. Gryko","Synthesis of Locked meso-β-Substituted Chlorins via 1,3-Dipolar Cycloaddition","Journal of Organic Chemistry","2006","71","","5942","5950","10.1021/jo060545x","","","0.71073","MoKα","","0.1187","0.0653","","","0.1517","0.1737","","","","","","0.935","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021835","8.7553","0.001","11.861","0.002","14.22","0.002","90.409","0.01","90.473","0.01","111.535","0.01","1373.5","0.4","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 I N2 O -","- C28 H39 I N2 O -","- C56 H78 I2 N4 O2 -","2","1","","Attila Paczal; Attila C. Bényei; András Kotschy","Modular Synthesis of Heterocyclic Carbene Precursors","Journal of Organic Chemistry","2006","71","","5969","5979","10.1021/jo060594+","","x-ray","0.71073","MoKα","","0.056","0.0496","","","0.1366","0.1416","","","","","","1.015","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021836","5.502","0.007","6.094","0.007","12.278","0.014","95.19","0.01","91.88","0.01","108.79","0.01","387.3","0.8","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C17 H23 N O4 -","1","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0373","0.0368","","","0.089","0.0893","","","","","","1.239","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021837","15.041","0.017","15.047","0.017","14.156","0.016","90","","90","","90","","3204","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C136 H184 N8 O32 -","8","2","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0666","0.0568","","","0.1371","0.1422","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021838","10.311","0.012","11.648","0.013","13.537","0.015","90","","90","","90","","1626","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0908","0.0756","","","0.155","0.1624","","","","","","1.262","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021839","6.24","0.009","10.604","0.012","19.21","0.02","90","","90","","90","","1271","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0578","0.0448","","","0.1126","0.1195","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021840","8.4981","0.0012","8.948","0.0013","11.3983","0.0016","90","","109.065","0.002","90","","819.2","0.2","571","2","571","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,7-Diisopropyl-4a,10a-dihydro-thianthrene","","- C18 H20 S2 -","- C18 H20 S2 -","- C36 H40 S4 -","2","1","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti","Ring Inversion Dynamics of Derivatives of Thianthrene Di- and Tetraoxide","Journal of Organic Chemistry","2006","71","","6248","6250","10.1021/jo0606610","","","0.71073","MoKα","","0.0413","0.0395","","","0.1061","0.1081","","","","","","1.064","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021841","10.899","0.0003","5.554","0.0001","17.6497","0.0003","90","","107.704","0.0014","90","","1017.79","0.04","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.044","0.0333","","0.0478","0.0421","0.0421","","","","","","1.0045","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021842","17.9961","0.0005","8.5436","0.0002","13.6219","0.0004","90","","94.962","0.0015","90","","2086.54","0.1","200","","200","","","","","","","","local","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C88 H112 O32 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0638","0.0372","","0.0265","0.0238","0.0238","","","","","","1.0403","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021843","11.1852","0.0004","12.1545","0.0005","14.9021","0.0005","90","","90","","90","","2025.95","0.13","200","","200","","","","","","","","local","3","P b c n","-P 2n 2ab","60","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C104 H96 O16 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0718","0.0319","","0.0699","0.0366","0.0366","","","","","","1.1094","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021844","14.0629","0.0003","5.2062","0.0001","14.6596","0.0003","90","","93.5888","0.0011","90","","1071.19","0.04","200","","200","","","","","","","","?","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0413","0.0305","","0.0423","0.0386","0.0386","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021845","5.8162","0.0001","19.9828","0.0006","21.1044","0.0006","90","","90","","90","","2452.84","0.11","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0644","0.0353","","0.0612","0.0389","0.0389","","","","","","1.1352","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021846","5.1908","0.0002","10.1089","0.0005","11.0009","0.0006","90.472","0.002","103.348","0.003","103.337","0.003","545.36","0.05","200","","200","","","","","","","","?","3","P -1","-P 1","2","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C28 H28 O4 -","2","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0377","0.0358","","0.0412","0.0397","0.0397","","","","","","1.1143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021847","11.7727","0.0002","9.2254","0.0002","12.0539","0.0003","90","","106.374","0.0014","90","","1256.05","0.05","200","","200","","","","","","","","local","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0475","0.0345","","0.0494","0.0412","0.0412","","","","","","1.0484","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021848","7.666","0.0018","9.906","0.002","11.42","0.003","80.496","0.003","82.929","0.004","88.154","0.004","848.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","","Yugang Chen; Mark G. Steinmetz","Photoactivation of Amino-Substituted 1,4-Benzoquinones for Release of Carboxylate and Phenolate Leaving Groups Using Visible Light","Journal of Organic Chemistry","2006","71","","6053","6060","10.1021/jo060790g","","","0.71073","MoKα","","0.1015","0.0601","","","0.1424","0.1625","","","","","","0.999","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021849","8.6303","0.0006","7.5224","0.0005","17.1285","0.0012","90","","98.932","0.001","90","","1098.51","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl2 N O2 -","- C11 H11 Cl2 N O2 -","- C44 H44 Cl8 N4 O8 -","4","1","","Yugang Chen; Mark G. Steinmetz","Photoactivation of Amino-Substituted 1,4-Benzoquinones for Release of Carboxylate and Phenolate Leaving Groups Using Visible Light","Journal of Organic Chemistry","2006","71","","6053","6060","10.1021/jo060790g","","","0.71073","MoKα","","0.0308","0.028","","","0.0791","0.0811","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021850","27.19","0.003","11.435","0.001","14.976","0.002","90","","113.257","0.009","90","","4278","1","153.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 S4 Si2 -","- C20 H20 S4 Si2 -","- C160 H160 S32 Si16 -","8","1","","Yoshihiro Miyake; Mo Wu; M. Jalilur Rahman; Yoshiyuki Kuwatani; Masahiko Iyoda","Efficient Construction of Biaryls and Macrocyclic Cyclophanes via Electron-Transfer Oxidation of Lipshutz Cuprates","Journal of Organic Chemistry","2006","71","","6110","6117","10.1021/jo0608063","","","0.7107","MoKα","","","0.0322","","","","0.1031","","","","","","1.163","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021851","11.358","0.002","15.466","0.004","9.749","0.002","90","","90","","90","","1712.5","0.6","298.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Yoshihiro Miyake; Mo Wu; M. Jalilur Rahman; Yoshiyuki Kuwatani; Masahiko Iyoda","Efficient Construction of Biaryls and Macrocyclic Cyclophanes via Electron-Transfer Oxidation of Lipshutz Cuprates","Journal of Organic Chemistry","2006","71","","6110","6117","10.1021/jo0608063","","","0.7107","MoKα","","","0.0606","","","","0.2111","","","","","","1.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021852","29.66","0.012","4.99","0.002","22.643","0.01","90","","126.593","0.006","90","","2691","2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C36 H36 O4 -","- C36 H36 O4 -","- C144 H144 O16 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.1146","0.0594","","","0.096","0.1109","","","","","","0.916","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021853","13.635","0.003","7.9222","0.0014","20.448","0.004","90","","90.694","0.003","90","","2208.7","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 O4 -","- C26 H34 O4 -","- C104 H136 O16 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0645","0.0468","","","0.1186","0.1279","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021854","11.2907","0.0006","11.2907","0.0006","79.253","0.008","90","","90","","120","","8749.5","1.1","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C23 H26 O2 -","- C23 H26 O2 -","- C414 H468 O36 -","18","0.5","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0561","0.0504","","","0.1394","0.1455","","","","","","0.969","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021855","4.7571","0.0009","14.256","0.003","15.113","0.003","90","","91.62","0.003","90","","1024.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","0.5","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0635","0.0448","","","0.1176","0.1283","","","","","","1.027","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021856","8.0925","0.0007","22.9034","0.0019","10.7566","0.0009","90","","111.796","0.001","90","","1851.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Br2 O4 -","- C20 H18 Br2 O4 -","- C80 H72 Br8 O16 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0454","0.0303","","","0.0692","0.0727","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021857","26.881","0.003","4.4185","0.0004","13.2856","0.0013","90","","90","","90","","1578","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H14 Br2 O2 -","- C18 H14 Br2 O2 -","- C72 H56 Br8 O8 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.038","0.0295","","","0.061","0.0634","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021858","9.0744","0.0008","12.5038","0.0012","19.0417","0.0018","90","","90","","90","","2160.6","0.3","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","","Yi-Heng Sun; Xu-Hui Zhu; Zhao Chen; Yong Zhang; Yong Cao","Potential Solution Processible Phosphorescent Iridium Complexes toward Applications in Doped Light-Emitting Diodes: Rapid Syntheses and Optical and Morphological Characterizations","Journal of Organic Chemistry","2006","71","","6281","6284","10.1021/jo060840h","","","0.71073","MoKα","","0.0437","0.0335","","","0.0757","0.0816","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021859","7.2373","0.0004","13.5582","0.0008","19.6995","0.0011","90","","90","","90","","1933.01","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0414","0.0328","","","0.0765","0.0813","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021860","7.9606","0.0005","9.3051","0.0006","25.7461","0.0016","90","","90","","90","","1907.1","0.2","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0463","0.0371","","","0.0945","0.0995","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021861","6.5874","0.0007","12.1639","0.0013","32.34","0.003","90","","90","","90","","2591.3","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O3 Si -","- C30 H37 N O3 Si -","- C120 H148 N4 O12 Si4 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0333","0.03","","","0.076","0.0785","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021862","7.3446","0.0002","10.1754","0.0003","16.0336","0.0005","90","","94.1618","0.0015","90","","1195.1","0.06","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C23 H33 N O8 -","- C23 H33 N O8 -","- C46 H66 N2 O16 -","2","1","","Timothy J. Donohoe; Caroline L. Rigby; Rhian E. Thomas; William F. Nieuwenhuys; Farrah L. Bhatti; Andrew R. Cowley; Gurdip Bhalay; Ian D. Linney","An Enzymatic Approach to the Desymmetrization of Disubstituted Pyrrolines","Journal of Organic Chemistry","2006","71","","6298","6301","10.1021/jo060926a","","","0.71073","MoKα","","","0.0346","","","","0.0399","","","","","","1.0484","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021863","7.4421","0.0003","6.2276","0.0003","23.7398","0.001","90","","98.6773","0.0013","90","","1087.66","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 F3 N O8 -","- C20 H26 F3 N O8 -","- C40 H52 F6 N2 O16 -","2","1","","Timothy J. Donohoe; Caroline L. Rigby; Rhian E. Thomas; William F. Nieuwenhuys; Farrah L. Bhatti; Andrew R. Cowley; Gurdip Bhalay; Ian D. Linney","An Enzymatic Approach to the Desymmetrization of Disubstituted Pyrrolines","Journal of Organic Chemistry","2006","71","","6298","6301","10.1021/jo060926a","","","0.71073","MoKα","","0.0716","0.0611","","0.1633","0.1568","0.1568","","","","","","1.0975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021864","5.6798","0.0008","14.991","0.002","20.777","0.004","90","","90","","90","","1769.1","0.4","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54178","CuKα","","0.0744","0.0688","","0.1912","0.1787","","","","1.044","1.05","1.05","","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021865","12.203","0.003","11.0105","0.0018","12.2933","0.0017","90","","98.444","0.013","90","","1633.8","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H43 N O8 -","- C30 H43 N O8 -","- C60 H86 N2 O16 -","2","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54178","CuKα","","0.0739","0.0564","","","0.1501","0.166","","","","","","1.023","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021866","5.7926","0.0004","21.7959","0.0014","24.7014","0.0015","90","","90","","90","","3118.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 N O9 -","- C30 H45 N O9 -","- C120 H180 N4 O36 -","4","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54248","CuKα","","0.0458","0.0332","","","0.067","0.0716","","","","","","0.942","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021867","9.166","0.003","15.547","0.005","10.174","0.004","90","","110.783","0.006","90","","1355.6","0.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Scott E. Denmark; Justin I. Montgomery","A General Synthesis of N-Vinyl Nitrones","Journal of Organic Chemistry","2006","71","","6211","6220","10.1021/jo060975n","","","0.71073","MoKα","","0.0676","0.0407","","","0.089","0.0969","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021868","8.406","0.003","17.081","0.005","10.259","0.003","90","","94.155","0.005","90","","1469.2","0.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Scott E. Denmark; Justin I. Montgomery","A General Synthesis of N-Vinyl Nitrones","Journal of Organic Chemistry","2006","71","","6211","6220","10.1021/jo060975n","","","0.71073","MoKα","","0.065","0.0392","","","0.0948","0.1034","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021869","8.634","0.006","10.072","0.007","23.622","0.016","90","","90","","90","","2054","2","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Scott E. Denmark; Justin I. Montgomery","A General Synthesis of N-Vinyl Nitrones","Journal of Organic Chemistry","2006","71","","6211","6220","10.1021/jo060975n","","","0.71073","MoKα","","0.0506","0.0341","","","0.0804","0.0867","","","","","","1.025","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021870","10.3615","0.0004","8.4311","0.0004","18.5887","0.0006","90","","98.806","0.0007","90","","1604.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl2 N O2 -","- C18 H13 Cl2 N O2 -","- C72 H52 Cl8 N4 O8 -","4","1","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0633","0.0382","","","0.0987","0.1073","","","","","","0.824","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021871","19.877","0.004","18.927","0.004","8.0012","0.0016","90","","90","","90","","3010.2","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0614","0.0474","","","0.1278","0.1322","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021872","10.3","0.002","14.278","0.003","11.79","0.002","90","","114.4","0.03","90","","1578.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C72 H56 Cl4 N4 O12 -","4","1","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0835","0.0493","","","0.1266","0.1374","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021873","7.9843","0.0016","19.014","0.004","10.55","0.002","90","","109.99","0.03","90","","1505.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0921","0.0671","","","0.171","0.1904","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021874","9.335","0.004","11.521","0.005","17.934","0.008","90","","99.614","0.006","90","","1901.6","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl O Pd S2 -","- C21 H19 Cl O Pd S2 -","- C84 H76 Cl4 O4 Pd4 S8 -","4","1","","Warren W. Gerhardt; Marcus Weck","Investigations of Metal-Coordinated Peptides as Supramolecular Synthons","Journal of Organic Chemistry","2006","71","","6333","6341","10.1021/jo060395q","","","0.71073","MoKα","","0.038","0.0319","","","0.0754","0.0784","","","","","","1.084","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021876","4.7602","0.0003","13.4131","0.0009","29.517","0.003","90","","90","","90","","1884.6","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N4 O6 -","- C20 H18 N4 O6 -","- C80 H72 N16 O24 -","4","1","","Warren W. Gerhardt; Marcus Weck","Investigations of Metal-Coordinated Peptides as Supramolecular Synthons","Journal of Organic Chemistry","2006","71","","6333","6341","10.1021/jo060395q","","","1.54178","CuKα","","0.0648","0.0392","","","0.062","0.0666","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021877","13.2293","0.0004","4.8292","0.0001","15.8456","0.0004","90","","100.164","0.001","90","","996.44","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N4 O6 -","- C21 H20 N4 O6 -","- C42 H40 N8 O12 -","2","1","","Warren W. Gerhardt; Marcus Weck","Investigations of Metal-Coordinated Peptides as Supramolecular Synthons","Journal of Organic Chemistry","2006","71","","6333","6341","10.1021/jo060395q","","","1.54178","CuKα","","0.0327","0.0305","","","0.0702","0.0714","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021878","9.373","0.006","9.802","0.005","10.391","0.008","71.79","0.04","70.18","0.04","72.29","0.04","831.9","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","MART064","[(R,S)-2-morpholino-3-spiro-1'-cyclohexyl-6-nitro-3,4-dihydro-2H- = 1,4-benzoxazine : 5f","","- C17 H23 N3 O4 -","- C17 H23 N3 O4 -","- C34 H46 N6 O8 -","2","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.0677","0.0504","","","0.124","0.1377","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021879","10.734","0.004","10.465","0.004","15.663","0.006","90","","107.34","0.02","90","","1679.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MART063","[(R,S)-2-morpholino-3-spiro-1'-cyclohexyl-3,4-dihydro-2H- = 1,4-benzoxazin-6-yl]nitrile: 5e","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.0869","0.0483","","","0.1096","0.1286","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021880","31.003","0.013","7.393","0.004","20.004","0.008","90","","112.19","0.03","90","","4245","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MART061","[(R,S)-3,3-dimethyl-5-hydroxy-2-isobutylamino-3,4-dihydro-2H- = 1,4-benzoxazin-6-yl] [2,6-dimethylphenyl] methanone : 3h.","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C184 H240 N16 O24 -","8","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.135","0.0623","","","0.1557","0.1944","","","","","","1.03","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021881","14.022","0.013","10.92","0.009","12.843","0.012","90","","92.64","0.05","90","","1964","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MART062","[(R,S)-3,3-dimethyl-5-hydroxy-2-isobutylamino-3,4-dihydro-2H- = 1,4-benzoxazin-6-yl] [4-fluorophenyl] methanone : 3f","","- C21 H25 F N2 O3 -","- C21 H25 F N2 O3 -","- C84 H100 F4 N8 O12 -","4","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.1491","0.0658","","","0.1643","0.2129","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021882","9.1682","0.0014","13.934","0.002","14.818","0.002","103.742","0.002","102.728","0.002","103.863","0.002","1706.3","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H42 Br N3 O3 -","- C39 H42 Br N3 O3 -","- C78 H84 Br2 N6 O6 -","2","1","","Wannaporn Disadee; Tsutomu Ishikawa; Masatoshi Kawahata; Kentaro Yamaguchi","Guanidinium Ylide Mediated Aziridination: Identification of a Spiro Imidazolidine-Oxazolidine Intermediate","Journal of Organic Chemistry","2006","71","","6600","6603","10.1021/jo060531r","","","0.71073","MoKα","","0.0684","0.0468","","","0.1162","0.1279","","","","","","1.027","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021883","15.461","0.003","19.71","0.004","5.7408","0.0011","90","","90","","90","","1749.4","0.6","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 O4 P -","- C21 H19 O4 P -","- C84 H76 O16 P4 -","4","1","","Babak Kaboudin; Hamideh Haghighat; Tsutomu Yokomatsu","A Novel Method for the Separation of Bis(α-hydroxyalkyl)phosphinic Acid Diastereoisomers via Formation of Novel Cyclic Phosphinic Acids","Journal of Organic Chemistry","2006","71","","6604","6606","10.1021/jo060547h","","","0.71073","MoKα","","0.0646","0.0415","","","0.0797","0.0874","","","","","","1.025","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021884","12.5986","0.0006","8.2876","0.0004","20.2572","0.001","90","","90","","90","","2115.1","0.18","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Benjamin D. Stevens; Christopher J. Bungard; Scott G. Nelson","Strategies for Expanding Structural Diversity Available from Olefin Isomerization-Claisen Rearrangement Reactions","Journal of Organic Chemistry","2006","71","","6397","6402","10.1021/jo0605851","","","0.71073","MoKα","","0.0567","0.0481","","","0.1299","0.136","","","","","","1.247","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021885","10.359","0.0005","21.7109","0.001","16.1006","0.0007","90","","106.263","0.001","90","","3476.2","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H20 O3 -","- C20.5 H20 O3 -","- C164 H160 O24 -","8","2","","Benjamin D. Stevens; Christopher J. Bungard; Scott G. Nelson","Strategies for Expanding Structural Diversity Available from Olefin Isomerization-Claisen Rearrangement Reactions","Journal of Organic Chemistry","2006","71","","6397","6402","10.1021/jo0605851","","","0.71073","MoKα","","0.1535","0.0764","","","0.1658","0.1899","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021886","16.09","0.007","10.544","0.004","17.881","0.007","90","0.0015","104.605","0.0017","90","0.0015","2936","2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 Cl2 O8 -","- C36 H26 Cl2 O8 -","- C144 H104 Cl8 O32 -","4","1","","Terunobu Saitoh; Suguru Yoshida; Junji Ichikawa","Naphthalene-1,8-diylbis(diphenylmethylium) as an Organic Two-Electron Oxidant: Benzidine Synthesis via Oxidative Self-Coupling of N,N-Dialkylanilines","Journal of Organic Chemistry","2006","71","","6414","6419","10.1021/jo060662s","","","0.7107","MoKα","","0.0593","0.0527","","","0.142","0.1467","","","","","","1.054","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021887","31.582","0.0008","7.466","0.0002","11.068","0.0002","90","","109.485","0.002","90","","2460.27","0.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H31 N O -","- C30 H31 N O -","- C120 H124 N4 O4 -","4","1","","José M. Concellón; Pablo L. Bernad; Virginia del Solar; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz","Synthesis of Enantiopure (αS,βS)- or (αR,βR)-Amino Alcohols by Complete Regioselective Opening of Aminoepoxides by Organolithium Reagents LiAlH~4~ ir LiAlD~4~","Journal of Organic Chemistry","2006","71","","6420","6426","10.1021/jo0606756","","","1.54184","CuKα","","0.0513","0.0338","","","0.0778","0.0883","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021888","11.63","0.0005","11.7664","0.0005","17.036","0.0008","90","","108.827","0.001","90","","2206.53","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N4 O4 -","- C20 H32 N4 O4 -","- C80 H128 N16 O16 -","4","2","","Vincenzo Giulio Albano; Marco Bandini; Magda Monari; Eleonora Marcucci; Fabio Piccinelli; Achille Umani-Ronchi","Synthesis and Crystallographic Characterization of Chiral Bis-oxazoline-amides. Fine-Tunable Ligands for Pd-Catalyzed Asymmetric Alkylations","Journal of Organic Chemistry","2006","71","","6451","6458","10.1021/jo060767v","","","0.71073","MoKα","","0.1579","0.0627","","","0.1551","0.1928","","","","","","0.852","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021889","9.3241","0.0006","24.0941","0.0015","27.4957","0.0017","90","","90","","90","","6177.1","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H74 B2 F8 N4 O6 Pd2 -","- C58 H74 B2 F8 N4 O6 Pd2 -","- C232 H296 B8 F32 N16 O24 Pd8 -","4","1","","Vincenzo Giulio Albano; Marco Bandini; Magda Monari; Eleonora Marcucci; Fabio Piccinelli; Achille Umani-Ronchi","Synthesis and Crystallographic Characterization of Chiral Bis-oxazoline-amides. Fine-Tunable Ligands for Pd-Catalyzed Asymmetric Alkylations","Journal of Organic Chemistry","2006","71","","6451","6458","10.1021/jo060767v","","","0.71073","MoKα","","0.1092","0.0741","","","0.1779","0.1993","","","","","","1.023","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021890","6.8302","0.0007","21.142","0.002","23.441","0.003","90","","90","","90","","3384.9","0.6","150","1","150","1","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C31 H34 F12 N4 O P2 S -","- C31 H34 F12 N4 O P2 S -","- C124 H136 F48 N16 O4 P8 S4 -","4","0.25","","Hai-Bo Yang; Neeladri Das; Feihe Huang; Adam M. Hawkridge; David D. Díaz; Atta M. Arif; M. G. Finn; David C. Muddiman; Peter J. Stang","Incorporation of 2,6-Di(4,4'-dipyridyl)-9-thiabicyclo[3.3.1]nonane into Discrete 2D Supramolecules via Coordination-Driven Self-Assembly","Journal of Organic Chemistry","2006","71","","6644","6647","10.1021/jo0608117","","","0.71073","MoKα","","0.127","0.0758","","","0.1807","0.2126","","","","","","1.047","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021891","8.7399","0.0018","8.9692","0.0018","9.1427","0.0019","62.293","0.004","65.552","0.004","69.368","0.004","566.1","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","1","0.5","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1266","0.0516","","","0.1009","0.1191","","","","","","0.752","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021892","7.726","0.0019","7.977","0.002","42.958","0.011","90","","90","","90","","2647.4","1.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H24 N2 O2 S2 -","- C34 H24 N2 O2 S2 -","- C136 H96 N8 O8 S8 -","4","0.5","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1978","0.0674","","","0.1358","0.1657","","","","","","0.851","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021893","7.7042","0.0013","18.073","0.003","14.668","0.003","90","","98.44","0.004","90","","2020.3","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 B N O -","- C27 H20 B N O -","- C108 H80 B4 N4 O4 -","4","2","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1618","0.0435","","","0.0695","0.0898","","","","","","0.719","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021894","12.403","0.004","13.052","0.004","18.606","0.006","104.016","0.007","102.524","0.006","103.065","0.006","2726.6","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56.5 H41.5 Cl7.5 N3 O3 -","- C54 H39 N3 O3 -","- C108 H78 N6 O6 -","2","1","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1836","0.0791","","","0.1966","0.2263","","","","","","0.761","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021895","7.0433","0.0003","11.6066","0.0004","14.5664","0.0008","90","","101.33","0.002","90","","1167.57","0.09","93.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O2 S -","- C13 H16 O2 S -","- C52 H64 O8 S4 -","4","1","","Yuji Miyahara","A New General Route to Thiophenophanes: Synthesis and Properties of [n](2,5)Thiophenophane-1,n-diones","Journal of Organic Chemistry","2006","71","","6516","6521","10.1021/jo060889n","","","0.7107","MoKα","","","0.0339","","","","0.1169","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021896","15.803","0.003","22.033","0.004","19.949","0.003","90","","103.148","0.004","90","","6763.9","1.9","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Zn4{(R)-3,3'-bis(Ph2P=O)-BINOLate}(m4-O)](CH2Cl2)3","","","- C135 H96 Cl6 O13 P6 Zn4 -","- C135 H96 Cl6 O13 P6 Zn4 -","- C270 H192 Cl12 O26 P12 Zn8 -","2","1","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71073","MoKα","","0.1168","0.0709","","","0.1812","0.2066","","","","","","1.087","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021897","10.709","0.005","18.515","0.005","53.426","0.005","90","0.005","90.282","0.005","90","0.005","10593","6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(R)-3,3'-bis(diphenylphosphinoyl)-BINOL","","","- C44 H32 O4 P2 -","- C44 H32 O4 P2 -","- C528 H384 O48 P24 -","12","3","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71069","MoKα","","0.0686","0.0555","","","0.132","0.1391","","","","","","1.018","","","","has coordinates","259535","2020-12-04","06:04:52",""
"4021898","24.535","0.006","6.0496","0.0015","23.504","0.006","90","","98.006","0.005","90","","3454.6","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(S)-3,3'-bis(diphenylphosphinoyl)-BINOL","","","- C44 H32 O4 P2 -","- C44 H32 O4 P2 -","- C176 H128 O16 P8 -","4","1","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71073","MoKα","","0.1402","0.0703","","","0.1147","0.1389","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021899","30.19","0.003","23.5668","0.0018","25.858","0.002","90","","115.333","0.002","90","","16629","2","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,3,5,7,9-penta-tert-butylcorannulene","","- C40 H50 -","- C39.93 H49.9 -","- C798.6 H998 -","20","5","","Yulia Sevryugina; Andrey Yu. Rogachev; Edward A. Jackson; Lawrence T. Scott; Marina A. Petrukhina","X-ray and Density Functional Theory Structural Study of 1,3,5,7,9-Penta-tert-butylcorannulene, C~40~H~50~","Journal of Organic Chemistry","2006","71","","6615","6618","10.1021/jo060933z","","","0.71073","MoKα","","0.2313","0.1692","","","0.299","0.3267","","","","","","1.122","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021900","8.3006","0.0002","10.7427","0.0002","14.3728","0.0004","90","","95.137","0.001","90","","1276.49","0.05","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound X","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Laura A. McAllister; Kristy L. Turner; Stephen Brand; Mark Stefaniak; David J. Procter","Solid Phase Approaches to N-Heterocycles Using a Sulfur Linker Cleaved by SmI~2~","Journal of Organic Chemistry","2006","71","","6497","6507","10.1021/jo060940n","","","0.71073","MoKα","","0.0555","0.0425","","","0.1064","0.1146","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021901","4.811","0.005","7.525","0.008","10.678","0.011","83.007","0.012","85.592","0.013","78.525","0.012","375.5","0.7","373","2","373","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 O3 S2 -","- C6 H6 O3 S2 -","- C12 H12 O6 S4 -","2","1","","Nicolas Eghbali; D. Scott Bohle; David N. Harpp","Synthesis of New Cyclic Dialkoxy Disulfides","Journal of Organic Chemistry","2006","71","","6659","6661","10.1021/jo060944s","","","0.71073","MoKα","","0.0348","0.0333","","","0.1043","0.1066","","","","","","0.961","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021902","9.8124","0.0013","10.8017","0.0014","11.0897","0.0013","113.836","0.003","115.303","0.003","91.97","0.003","941","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O3 -","- C20 H22 N4 O3 -","- C40 H44 N8 O6 -","2","1","","Laura D. Shirtcliff; Jazmin Rivers; Michael M. Haley","Synthesis of 2H-Indazoles via Lewis Acid Promoted Cyclization of 2-(Phenylazo)benzonitriles","Journal of Organic Chemistry","2006","71","","6619","6622","10.1021/jo060965m","","","0.71073","MoKα","","0.0838","0.0483","","","0.1024","0.1209","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021903","9.0546","0.001","23.673","0.002","14.153","0.002","90","","104.083","0.005","90","","2942.4","0.6","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C71 H72 Cl2 O8 -","- C71 H72 Cl2 O8 -","- C142 H144 Cl4 O16 -","2","1","","Kazunori Tsubaki; Hiroyuki Tanaka; Kazuto Takaishi; Masaya Miura; Hiroshi Morikawa; Takumi Furuta; Kiyoshi Tanaka; Kaoru Fuji; Takahiro Sasamori; Norihiro Tokitoh; Takeo Kawabata","Bottom-Up Synthesis of Optically Active Oligonaphthalenes: Three Different Pathways for Controlling Axial Chirality","Journal of Organic Chemistry","2006","71","","6579","6587","10.1021/jo060974v","","","0.7107","MoKα","","","0.054","","","","0.146","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021904","32.441","0.001","15.9505","0.0005","9.9787","0.0003","90","","90","","90","","5163.5","0.3","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H34 Cr O5 Si -","- C26 H34 Cr O5 Si -","- C208 H272 Cr8 O40 Si8 -","8","2","","William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell","Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes","Journal of Organic Chemistry","2006","71","","6542","6546","10.1021/jo060994x","","","0.71073","MoKα","","0.0345","0.0292","","","0.0717","0.075","","","","","","1.039","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021905","9.7249","0.0004","21.6847","0.0009","14.6103","0.0006","90","","102.439","0.001","90","","3008.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cr O5 Si2 -","- C28 H42 Cr O5 Si2 -","- C112 H168 Cr4 O20 Si8 -","4","1","","William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell","Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes","Journal of Organic Chemistry","2006","71","","6542","6546","10.1021/jo060994x","","","0.71073","MoKα","","0.0448","0.0354","","","0.0903","0.0955","","","","","","1.071","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021906","17.5783","0.0016","18.3011","0.0018","21.379","0.002","90","","90","","90","","6877.5","1.2","83","3","83","3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H42 Cr O6 Si -","- C37 H42 Cr O6 Si -","- C296 H336 Cr8 O48 Si8 -","8","1","","William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell","Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes","Journal of Organic Chemistry","2006","71","","6542","6546","10.1021/jo060994x","","","0.71073","MoKα","","0.0594","0.0448","","","0.109","0.1189","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021907","8.7767","0.0018","22.603","0.005","10.482","0.002","90","","90.287","0.003","90","","2079.3","0.7","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H29 B F N O -","- C24 H29 B F N O -","- C96 H116 B4 F4 N4 O4 -","4","2","","Peter Shapland; Edwin Vedejs","Isopinocampheylborane Derivatives with >99% ee via the DMAP Complex","Journal of Organic Chemistry","2006","71","","6666","6669","10.1021/jo061002q","","","0.71073","MoKα","","0.0661","0.0427","","","0.0861","0.0921","","","","","","0.991","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021908","12.4457","0.0006","15.6835","0.0009","20.44","0.001","106.507","0.003","96.998","0.004","102.985","0.003","3653.1","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H112 O14 P4 Pt2 -","- C70.5 H110 O14 P4 Pt1.9 -","- C141 H220 O28 P8 Pt3.8 -","2","1","","Feihe Huang; Hai-Bo Yang; Neeladri Das; Umamageswaran Maran; Atta M. Arif; Harry W. Gibson; Peter J. Stang","Incorporating a Flexible Crown Ether into Neutral Discrete Self-Assemblies Driven by Metal Coordination","Journal of Organic Chemistry","2006","71","","6623","6625","10.1021/jo061007n","","","0.71073","MoKα","","0.1041","0.0718","","","0.1813","0.2116","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021909","10.4332","0.0003","16.4733","0.0004","21.4199","0.0006","90","","90.01","0.001","90","","3681.42","0.17","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 O3 -","- C20 H26 N2 O3 -","- C160 H208 N16 O24 -","8","2","","Alexander Deiters; Martin Pettersson; Stephen F. Martin","General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids","Journal of Organic Chemistry","2006","71","","6547","6561","10.1021/jo061032t","","","0.71073","MoKα","","0.1995","0.058","","","0.0853","0.104","","","","","","1.065","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021910","12.8635","0.0003","12.1962","0.0003","21.3633","0.0006","90","","90","","90","","3351.6","0.15","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","1","","Alexander Deiters; Martin Pettersson; Stephen F. Martin","General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids","Journal of Organic Chemistry","2006","71","","6547","6561","10.1021/jo061032t","","","0.71073","MoKα","","0.1075","0.0532","","","0.0942","0.1113","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021911","11.0013","0.0002","11.1975","0.0002","12.6806","0.0003","107.147","0.001","108.1","0.001","98.967","0.001","1365.12","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O5 S2 -","- C28 H36 N2 O5 S2 -","- C56 H72 N4 O10 S4 -","2","1","","Alexander Deiters; Martin Pettersson; Stephen F. Martin","General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids","Journal of Organic Chemistry","2006","71","","6547","6561","10.1021/jo061032t","","","0.71073","MoKα","","0.1019","0.0574","","","0.1121","0.1322","","","","","","1.001","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021912","18.57","0.003","9.8463","0.0014","18.461","0.003","90","","100.472","0.003","90","","3319.2","0.8","113.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 N3 O6 -","- C20 H11 N3 O6 -","- C160 H88 N24 O48 -","8","1","","Chun Zhang; Chuan-Feng Chen","Synthesis and Structure of 2,6,14- and 2,7,14-Trisubstituted Triptycene Derivatives","Journal of Organic Chemistry","2006","71","","6626","6629","10.1021/jo061067t","","","0.7107","MoKα","","","0.0548","","","","0.1508","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021913","12.6019","0.0015","16.4583","0.0019","20.154","0.002","90","","90","","90","","4180.1","0.9","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 I6 -","- C45 H22 I6 -","- C180 H88 I24 -","4","1","","Chun Zhang; Chuan-Feng Chen","Synthesis and Structure of 2,6,14- and 2,7,14-Trisubstituted Triptycene Derivatives","Journal of Organic Chemistry","2006","71","","6626","6629","10.1021/jo061067t","","","0.71073","MoKα","","0.0648","0.04","","","0.101","0.1124","","","","","","1.08","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021914","7.172","0.002","10.348","0.003","11.029","0.003","90","","104.856","0.011","90","","791.2","0.4","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","Paquette 1402","","","- C7 H11 N O3 S -","- C7 H11 N O3 S -","- C28 H44 N4 O12 S4 -","4","1","","Adam J. Preston; Judith C. Gallucci; Leo A. Paquette","Synthesis and Selected Reactions of a Bicyclic Sultam Having Sulfur at the Apex Position","Journal of Organic Chemistry","2006","71","","6573","6578","10.1021/jo0611162","","x-ray","0.71073","MoKα","","0.0467","0.0371","","","0.0813","0.0847","","","","","","1.042","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021915","8.448","0.002","8.554","0.002","27.028","0.006","90","","90.982","0.007","90","","1952.9","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","Paquette 1473","","","- C19 H26 N4 O4 S -","- C19 H26 N4 O4 S -","- C76 H104 N16 O16 S4 -","4","2","","Adam J. Preston; Judith C. Gallucci; Leo A. Paquette","Synthesis and Selected Reactions of a Bicyclic Sultam Having Sulfur at the Apex Position","Journal of Organic Chemistry","2006","71","","6573","6578","10.1021/jo0611162","","x-ray","0.71073","MoKα","","0.051","0.0365","","","0.0705","0.0759","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021916","7.9412","0.0009","12.6199","0.0014","13.4644","0.0015","90","","100.658","0.002","90","","1326.1","0.3","173","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Br O5 -","- C14 H15 Br O5 -","- C56 H60 Br4 O20 -","4","1","","Soo-Im Chung; Joobeom Seo; Cheon-Gyu Cho","Tandem Diels-Alder Cycloadditions of 2-Pyrone-5-acrylates for the Efficient Synthesis of Novel Tetracyclolactones","Journal of Organic Chemistry","2006","71","","6701","6704","10.1021/jo061119e","","","0.71073","MoKα","","0.0456","0.0319","","","0.0742","0.0799","","","","","","1.039","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021917","6.5969","0.0008","9.805","0.0012","11.5438","0.0015","87.85","0.015","83.935","0.015","88.231","0.015","741.71","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","9-Acetyl-Triamantan","","","- C20 H26 O -","- C20 H26 O -","- C40 H52 O2 -","2","1","","Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson; Andrey A. Fokin","Functionalized Nanodiamonds: Triamantane and [121]Tetramantane","Journal of Organic Chemistry","2006","71","","6709","6720","10.1021/jo052646l","","","0.71073","MoKα","","0.0686","0.041","","","0.1119","0.1243","","","","","","0.991","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021918","9.614","0.002","8.0531","0.0018","12.265","0.003","90","","99.09","0.03","90","","937.7","0.4","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,16-Diacetyl-Tetramantan","","","- C26 H32 O2 -","- C26 H32 O2 -","- C52 H64 O4 -","2","0.5","","Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson; Andrey A. Fokin","Functionalized Nanodiamonds: Triamantane and [121]Tetramantane","Journal of Organic Chemistry","2006","71","","6709","6720","10.1021/jo052646l","","","0.71073","MoKα","","0.1023","0.0621","","","0.162","0.185","","","","","","1.153","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021919","25.46","0.008","10.292","0.006","16.264","0.006","90","","98.503","0.011","90","","4215","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H46 Mn3 N4 O12 -","- C40 H41 Mn2.989 N4 O12 -","- C160 H164 Mn11.956 N16 O48 -","4","1","","Byungman Kang; Min Kim; Junseong Lee; Youngkyu Do; Sukbok Chang","Trimanganese Complexes Bearing Bidentate Nitrogen Ligands as a Highly Efficient Catalyst Precursor in the Epoxidation of Alkenes","Journal of Organic Chemistry","2006","71","","6721","6727","10.1021/jo060709+","","","0.71073","MoKα","","0.0553","0.0414","","","0.0964","0.1041","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021920","11.4098","0.0014","12.4332","0.0014","26.421","0.003","90","","98.624","0.003","90","","3705.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Mn3 N4 O12 -","- C36 H34 Mn3.004 N4 O12 -","- C144 H136 Mn12.016 N16 O48 -","4","0.5","","Byungman Kang; Min Kim; Junseong Lee; Youngkyu Do; Sukbok Chang","Trimanganese Complexes Bearing Bidentate Nitrogen Ligands as a Highly Efficient Catalyst Precursor in the Epoxidation of Alkenes","Journal of Organic Chemistry","2006","71","","6721","6727","10.1021/jo060709+","","","0.71073","MoKα","","0.1039","0.0785","","","0.2114","0.231","","","","","","1.038","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021921","10.8344","0.0015","18.814","0.003","8.0715","0.0011","90","","96.537","0.003","90","","1634.6","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N -","- C20 H18 F3 N -","- C80 H72 F12 N4 -","4","1","","Rajendra Prasad Korivi; Chien-Hong Cheng","Nickel-Catalyzed Cyclization of 2-Iodoanilines with Aroylalkynes: An Efficient Route for Quinoline Derivatives","Journal of Organic Chemistry","2006","71","","7079","7082","10.1021/jo060800d","","","0.71073","MoKα","","0.1174","0.0686","","","0.1928","0.2097","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021922","10.6031","0.0007","11.5144","0.0008","18.735","0.0013","90","","98.822","0.001","90","","2260.3","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H55 N O9 S -","- C48 H55 N O9 S -","- C96 H110 N2 O18 S2 -","2","1","","Andrea Guerrini; Greta Varchi; Arturo Battaglia","Stereoselective One-Pot Synthesis of Constrained N,O-Orthogonally Protected C-Glycosyl Norstatines [C(1')-Aminoglycosyl-1,3-dioxolan-4-ones]","Journal of Organic Chemistry","2006","71","","6785","6795","10.1021/jo0608164","","","0.71073","MoKα","","0.0393","0.0371","","","0.1018","0.104","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021923","15.8067","0.0008","17.1839","0.0008","34.6122","0.0017","90","","90","","90","","9401.4","0.8","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H63 N2 O9 S Si2 -","- C35 H63 N2 O9 S Si2 -","- C280 H504 N16 O72 S8 Si16 -","8","2","","Andrea Guerrini; Greta Varchi; Arturo Battaglia","Stereoselective One-Pot Synthesis of Constrained N,O-Orthogonally Protected C-Glycosyl Norstatines [C(1')-Aminoglycosyl-1,3-dioxolan-4-ones]","Journal of Organic Chemistry","2006","71","","6785","6795","10.1021/jo0608164","","","0.71073","MoKα","","0.2846","0.0927","","","0.2114","0.3167","","","","","","0.965","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021924","36.6969","0.0005","11.5239","0.0002","15.7065","0.0002","90","","102.023","0.0007","90","","6496.45","0.17","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cu N4 O -","- C40 H36 Cu N4 O -","- C320 H288 Cu8 N32 O8 -","8","1","","Joydev K. Laha; Chinnasamy Muthiah; Masahiko Taniguchi; Jonathan S. Lindsey","A New Route for Installing the Isocyclic Ring on Chlorins Yielding 13^1^-Oxophorbines","Journal of Organic Chemistry","2006","71","","7049","7052","10.1021/jo0608265","","","0.71073","MolybdenumKα","","0.07","0.054","","0.147","0.055","","","","","2.07","2.07","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021925","19.6992","0.0013","29.454","0.002","6.1556","0.0002","90","","90","","90","","3571.6","0.4","298","","","","","","","","","","Synthesis","4","P 21 21 2","P 2 2ab","18","","","","- C35 H47 N5 O6 -","- C35 H47 N5 O6 -","- C140 H188 N20 O24 -","4","1","","Anna S. Norgren; Frank Büttner; Samran Prabpai; Palangpon Kongsaeree; Per I. Arvidsson","β^2^-Amino Acids in the Design of Conformationally Homogeneous cyclo-Peptide Scaffolds","Journal of Organic Chemistry","2006","71","","6814","6821","10.1021/jo060854n","","x-ray","0.71073","MoKα","","0.1532","0.1204","","","0.3076","0.3416","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021926","15.419","0.0009","7.0236","0.0004","30.8348","0.0018","90","","90","","90","","3339.3","0.3","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.068","0.0405","","","0.0922","0.1062","","","","","","1.012","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021927","8.5415","0.0011","11.5119","0.0015","13.4368","0.0018","113.89","0.002","94.826","0.002","91.961","0.002","1200.4","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N4 O6 -","- C25 H32 N4 O6 -","- C50 H64 N8 O12 -","2","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0502","0.0364","","","0.0922","0.1016","","","","","","1.018","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021928","8.0052","0.0015","11.777","0.002","12.237","0.002","87.037","0.004","84.042","0.003","86.669","0.003","1144.3","0.4","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N2 O5 -","- C25 H32 N2 O5 -","- C50 H64 N4 O10 -","2","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0593","0.0383","","","0.0917","0.1046","","","","","","1.01","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021929","14.1248","0.0018","11.8471","0.0015","19.754","0.003","90","","98.782","0.002","90","","3266.9","0.7","171","2","171","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C128 H176 N16 O40 -","8","2","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.1304","0.05","","","0.1271","0.1819","","","","","","1.021","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021930","8.8274","0.0014","42.094","0.007","7.8988","0.0013","90","","104.349","0.003","90","","2843.5","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C120 H168 N8 O24 -","8","2","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0562","0.0421","","","0.0987","0.1082","","","","","","1.085","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021931","6.6669","0.0009","32.636","0.005","6.7762","0.001","90","","104.551","0.002","90","","1427.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0551","0.0412","","","0.1007","0.1097","","","","","","1.054","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021932","7.5049","0.0006","9.4498","0.0007","19.6691","0.0016","90","","94.676","0.001","90","","1390.29","0.19","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 O2 -","- C14 H28 O2 -","- C56 H112 O8 -","4","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0426","0.0352","","","0.0965","0.1038","","","","","","1.031","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021933","11.812","0.003","10.601","0.003","22.291","0.006","90","","100.453","0.005","90","","2745.1","1.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H27 O2.5 -","- C13 H27 O2.5 -","- C104 H216 O20 -","8","2","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.1141","0.0482","","","0.0985","0.1295","","","","","","1.058","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021934","11.3709","0.0017","15.214","0.003","7.2459","0.0009","90","","90.484","0.011","90","","1253.5","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O S2 -","- C11 H13 N3 O S2 -","- C44 H52 N12 O4 S8 -","4","2","","Shinji Yamada; Tomoko Misono; Yuko Iwai; Ayako Masumizu; Yukiko Akiyama","New Class of Pyridine Catalyst Having a Conformation Switch System: Asymmetric Acylation of Various sec-Alcohols","Journal of Organic Chemistry","2006","71","","6872","6880","10.1021/jo060989t","","","1.54178","CuKα","","0.0439","0.0397","","","0.1101","0.1133","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021935","9.6935","0.0011","11.6333","0.0014","8.035","0.0011","108.982","0.009","100.171","0.01","70.47","0.009","805.17","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Br N3 O S2 -","- C12 H16 Br N3 O S2 -","- C24 H32 Br2 N6 O2 S4 -","2","1","","Shinji Yamada; Tomoko Misono; Yuko Iwai; Ayako Masumizu; Yukiko Akiyama","New Class of Pyridine Catalyst Having a Conformation Switch System: Asymmetric Acylation of Various sec-Alcohols","Journal of Organic Chemistry","2006","71","","6872","6880","10.1021/jo060989t","","","1.54178","CuKα","","0.0782","0.077","","","0.2759","0.2808","","","","","","1.053","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021936","14.0776","0.0017","15.6931","0.0019","18.185","0.002","90","","106.286","0.003","90","","3856.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 N6 -","- C48 H42 N6 -","- C192 H168 N24 -","4","1","","Rosa M. Claramunt; Pilar Cornago; Verónica Torres; Elena Pinilla; M. Rosario Torres; André Samat; Vladimir Lokshin; Magali Valés; José Elguero","The Structure of Pyrazoles in the Solid State: A Combined CPMAS, NMR, and Crystallographic Study","Journal of Organic Chemistry","2006","71","","6881","6891","10.1021/jo0609935","","","0.71073","MoKα","","0.2871","0.0642","","","0.1296","0.198","","","","","","0.788","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021937","12.1905","0.0012","5.1933","0.0005","23.579","0.002","90","","103.88","0.002","90","","1449.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F3 N2 -","- C17 H13 F3 N2 -","- C68 H52 F12 N8 -","4","1","","Rosa M. Claramunt; Pilar Cornago; Verónica Torres; Elena Pinilla; M. Rosario Torres; André Samat; Vladimir Lokshin; Magali Valés; José Elguero","The Structure of Pyrazoles in the Solid State: A Combined CPMAS, NMR, and Crystallographic Study","Journal of Organic Chemistry","2006","71","","6881","6891","10.1021/jo0609935","","","0.71073","MoKα","","0.0815","0.0436","","","0.1102","0.124","","","","","","0.93","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021938","6.7244","0.0013","8.0417","0.0016","13.879","0.003","76.24","0.03","89.16","0.03","83.32","0.03","724","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Chuang-Chuang Li; Cui-Hua Wang; Bo Liang; Xin-Hao Zhang; Lu-Jiang Deng; Shuang Liang; Jia-Hua Chen; Yun-Dong Wu; Zhen Yang","Synthetic Study of 1,3-Butadiene-Based IMDA Approach to Construct a [5-7-6] Tricyclic Core and Its Application to the Total Synthesis of C8-epi-Guanacastepene O","Journal of Organic Chemistry","2006","71","","6892","6897","10.1021/jo060996h","","","0.71073","MoKα","","0.0776","0.0455","","","0.1063","0.1128","","","","","","1.002","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021939","10.019","0.002","9.0397","0.0018","17.986","0.004","90","","99.99","0.03","90","","1604.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Chuang-Chuang Li; Cui-Hua Wang; Bo Liang; Xin-Hao Zhang; Lu-Jiang Deng; Shuang Liang; Jia-Hua Chen; Yun-Dong Wu; Zhen Yang","Synthetic Study of 1,3-Butadiene-Based IMDA Approach to Construct a [5-7-6] Tricyclic Core and Its Application to the Total Synthesis of C8-epi-Guanacastepene O","Journal of Organic Chemistry","2006","71","","6892","6897","10.1021/jo060996h","","","0.71073","MoKα","","0.0871","0.043","","","0.0992","0.1063","","","","","","0.994","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021940","4.8595","0.0009","6.1554","0.001","12.589","0.002","83.486","0.003","88.86","0.004","74.263","0.003","360.09","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H26 N4 -","- C14 H26 N4 -","- C14 H26 N4 -","1","0.5","","Takashi Mino; Yoshiaki Shirae; Yousuke Sasai; Masami Sakamoto; Tsutomu Fujita","Phosphine-Free Palladium Catalyzed Mizoroki-Heck Reaction Using Hydrazone as a Ligand","Journal of Organic Chemistry","2006","71","","6834","6839","10.1021/jo0610006","","","0.71073","MoKα","","0.0852","0.0577","","","0.1384","0.1575","","","","","","0.992","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021941","11.195","0.003","15.666","0.006","9.728","0.003","90","0","90","0","90","0","1706.1","0.9","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,4S,4aR,5R,6S,7S,8aR)-1-Methoxy-4-methoxymethoxy-1,5,7,8a-tetramethyl- 4a,5,6,7,8,8a-hexahydroisochroman-6-ol","","- C16 H30 O5 -","- C16 H30 O5 -","- C64 H120 O20 -","4","1","","Asano, Moriteru; Inoue, Munenori; Watanabe, Kazuhiro; Abe, Hideki; Katoh, Tadashi","Synthetic Studies toward GKK1032s, Novel Antibiotic Antitumor Agents: Enantioselective Synthesis of the Fully Elaborated Tricyclic Core via an Intramolecular Diels-Alder Cycloaddition","Journal of Organic Chemistry","2006","71","18","6942","6951","10.1021/jo0610208","","","1.54178","CuK-alpha","","","0.0396","","","0.0477","","","","","2.3986","2.3986","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021942","9.3215","0.0002","10.8327","0.0002","13.7718","0.0002","90","","106.425","0.001","90","","1333.88","0.04","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 N2 O5 P -","- C24 H39 N2 O5 P -","- C48 H78 N4 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0425","0.0354","","","0.0939","0.0991","","","","","","1.046","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021943","6.0341","0.0001","6.6249","0.0002","16.5069","0.0005","90","","98.184","0.001","90","","653.15","0.03","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N O5 P -","- C11 H16 N O5 P -","- C22 H32 N2 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0433","0.0366","","","0.0944","0.1061","","","","","","1.114","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021944","6.7943","0.0013","8.718","0.003","11.059","0.004","90","","90","","90","","655.1","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 F N O3 P -","- C4 H9 F N O3 P -","- C16 H36 F4 N4 O12 P4 -","4","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0258","0.0234","","0.0638","0.0627","","","","1.066","1.08","1.08","","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021945","15.3035","0.0016","10.3641","0.0011","14.1931","0.0015","90","","101.189","0.002","90","","2208.3","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H29 N O5.5 P -","- C18 H29 N O5.5 P -","- C72 H116 N4 O22 P4 -","4","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.073","0.0438","","","0.1042","0.1168","","","","","","0.991","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021946","7.1087","0.0003","10.2928","0.0005","13.5073","0.0006","90","","99.401","0.002","90","","975.03","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H30 N O5 P -","- C15 H30 N O5 P -","- C30 H60 N2 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.065","0.0442","","","0.0977","0.1088","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021947","15.706","0.005","8.93","0.003","12.969","0.005","90","","90","","90","","1818.8","1.1","173.1","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","","Nitin T. Patil; Zhibao Huo; Yoshinori Yamamoto","Palladium-Catalyzed Decarboxylative Aza-Michael Addition-Allylation Reactions between Allyl Carbamates and Activated Olefins. Generation of Quaternary Carbon Adjacent to Secondary Amine Carbon Center","Journal of Organic Chemistry","2006","71","","6991","6995","10.1021/jo061110c","","","0.7107","MoKα","","","0.0264","","","","0.0595","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021948","9.2755","0.0002","13.5333","0.0003","25.1099","0.0007","90","","90","","90","","3152","0.13","180","2","180","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C37 H32 N2 O9 -","- C37 H32 N2 O9 -","- C148 H128 N8 O36 -","4","0.5","","Paolo Pengo; G. Dan Pantoş; Sijbren Otto; Jeremy K. M. Sanders","Efficient and Mild Microwave-Assisted Stepwise Functionalization of Naphthalenediimide with -Amino Acids","Journal of Organic Chemistry","2006","71","","7063","7066","10.1021/jo061195h","","","0.71073","MoKα","","0.0961","0.0488","","","0.1199","0.1423","","","","","","1.053","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021949","8.087","0.0001","8.2484","0.0001","12.1896","0.0003","82.999","0.001","81.897","0.001","68.672","0.001","747.65","0.02","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H29 N3 O8 -","- C36 H29 N3 O8 -","- C36 H29 N3 O8 -","1","1","","Paolo Pengo; G. Dan Pantoş; Sijbren Otto; Jeremy K. M. Sanders","Efficient and Mild Microwave-Assisted Stepwise Functionalization of Naphthalenediimide with -Amino Acids","Journal of Organic Chemistry","2006","71","","7063","7066","10.1021/jo061195h","","","0.71073","MoKα","","0.0347","0.0339","","","0.0957","0.0965","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021950","7.4919","0.0003","9.0192","0.0003","49.8755","0.0018","90","","90","","90","","3370.1","0.2","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H21 Br O5 -","- C17 H21 Br O5 -","- C136 H168 Br8 O40 -","8","1","","Tobias Bender; Tim Schuhmann; Jörg Magull; Stephanie Grond; Paultheo von Zezschwitz","Comprehensive Study of Okaspirodiol: Characterization, Total Synthesis, and Biosynthesis of a New Metabolite from Streptomyces","Journal of Organic Chemistry","2006","71","","7125","7132","10.1021/jo060149e","","","1.54178","CuKα","","0.0294","0.0286","","","0.0644","0.0648","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021951","8.9558","0.0001","22.6588","0.0003","13.5142","0.0002","90","","109.24","0.001","90","","2589.23","0.06","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","N,N'-Dibenzhydrylbisoidine","3,7-Bis(1,1-diphenylmetyl)-3,7-diazabicyclo[3.3.1]nonane","","- C33 H34 N2 -","- C33 H34 N2 -","- C132 H136 N8 -","4","1","","Lauri Toom; Agnes Kütt; Ivari Kaljurand; Ivo Leito; Henrik Ottosson; Helena Grennberg; Adolf Gogoll","Substituent Effects on the Basicity of 3,7-Diazabicyclo[3.3.1]nonanes","Journal of Organic Chemistry","2006","71","","7155","7164","10.1021/jo0604991","","","0.71073","MoKα","","0.0699","0.0507","","","0.1167","0.1283","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021952","16.2829","0.0009","9.8672","0.0005","17.0435","0.0009","90","","107.847","0.001","90","","2606.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","allenyl triethylamine salt","","","- C27 H36 Cl N O3 -","- C27 H36 Cl N O3 -","- C108 H144 Cl4 N4 O12 -","4","1","","Galla V. Karunakar; Mariappan Periasamy","Conversion of Propargyl Alcohols to Chloroallenes and Arylalkynes Using the TiCl~4~/R~3~N Reagent System","Journal of Organic Chemistry","2006","71","","7463","7466","10.1021/jo060683m","","","0.71073","MoKα","","0.1143","0.0821","","","0.261","0.2959","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021953","8.547","0.003","6.899","0.002","9.743","0.003","90","","101.65","0.007","90","","562.7","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","meso-(4R,5R,6S,7S)decane-4,5,6,7-tetraol","","- C10 H22 O4 -","- C10 H22 O4 -","- C20 H44 O8 -","2","0.5","","Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","Osmium Catalyzed Dihydroxylation of 1,2-Dioxines: A New Entry for Stereoselective Sugar Synthesis","Journal of Organic Chemistry","2006","71","","7236","7244","10.1021/jo060949p","","","0.71069","MoKα","","0.05","0.046","","","0.124","0.128","","","","","","1.1","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021954","12.3799","0.0005","24.2382","0.0012","21.2644","0.001","90","","101.707","0.005","90","","6248","0.5","200","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H98 Cl24 O15 P4 -","- C104 H98 Cl24 O15 P4 -","- C208 H196 Cl48 O30 P8 -","2","1","","Benoît Laleu; Gérald Bernardinelli; Remi Chauvin; Jérôme Lacour","Trimesitylmethylphosphonium Cation. Supramolecular Stereocontrol and Simple Enantiomerization Mechanism Determination","Journal of Organic Chemistry","2006","71","","7412","7416","10.1021/jo061097w","","","0.71073","MoKα","","","0.044","","","","0.042","","","","","","1.28","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021955","9.6273","0.0007","16.1782","0.0012","11.0361","0.0008","90","","106.487","0.001","90","","1648.2","0.2","198","2","198","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Franck Caussanel; Keyan Wang; Sreekanth A. Ramachandran; Pierre Deslongchamps","Synthetic Approach Toward the Total Synthesis of Kempane Diterpenes via Transannular Diels-Alder Strategy","Journal of Organic Chemistry","2006","71","","7370","7377","10.1021/jo061230k","","","0.71073","MoKα","","0.0592","0.0404","","","0.1044","0.114","","","","","","1.042","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021956","6.6318","0.0016","10.293","0.003","13.75","0.003","99.427","0.005","96.076","0.004","107.618","0.004","870.3","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Franck Caussanel; Keyan Wang; Sreekanth A. Ramachandran; Pierre Deslongchamps","Synthetic Approach Toward the Total Synthesis of Kempane Diterpenes via Transannular Diels-Alder Strategy","Journal of Organic Chemistry","2006","71","","7370","7377","10.1021/jo061230k","","x-ray","0.71073","MoKα","","0.0775","0.0693","","","0.1707","0.1743","","","","","","0.993","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021957","9.129","0.004","11.674","0.004","11.962","0.004","68.03","0.03","86.95","0.03","87.76","0.03","1180.3","0.7","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C30 H24 N P -","- C30 N P -","- C60 N2 P2 -","2","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.099","0.057","","0.135","0.128","0.128","","","1.398","0.958","0.958","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021958","11.445","0.003","14.105","0.004","14.798","0.008","90","","113.59","0.08","90","","2189.3","1.5","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N P -","- C27 N P -","- C108 N4 P4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.119","0.043","","0.091","0.072","0.072","","","1.853","0.941","0.941","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021959","9.55","0.002","10.913","0.006","11.511","0.005","108.01","0.04","92.35","0.03","96.46","0.03","1130.1","0.8","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C27 H21 F N P -","- C27 F3 N P -","- C54 F6 N2 P2 -","2","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.059","0.053","","0.159","0.158","0.158","","","0.794","0.636","0.636","0.636","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021960","18.401","0.006","35.757","0.011","7.264","0.003","90","","90","","90","","4779","3","298","","","","","","","","","","Local laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C29 H26 N O2 P -","- C29 N O2 P -","- C232 N8 O16 P8 -","8","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.166","0.047","","0.132","0.099","0.099","","","2.514","1.61","1.61","1.61","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021961","32.489","0.013","8.345","0.005","21.857","0.008","90","","132.24","0.03","90","","4387","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 N O P -","- C27 H24 N O P -","- C216 H192 N8 O8 P8 -","8","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.0663","0.0585","","","0.1612","0.1701","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021962","39.149","0.008","9.736","0.002","9.566","0.002","90","","96.414","0.005","90","","3623.3","1.3","293.1","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C39 H40 Cl N2 O2 P Pd -","- C39 H40 Cl N2 O2 P Pd -","- C156 H160 Cl4 N8 O8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.05","","","","0.055","","","","","","4.209","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021963","10.47","0.0013","15.561","0.002","22.835","0.003","90","","90","","90","","3720.3","0.9","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl N2 P Pd -","- C40 H38 Cl N2 P Pd -","- C160 H152 Cl4 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.056","","","","0.074","","","","","","5.223","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021964","9.24","0.001","14.715","0.002","27.222","0.004","90","","90","","90","","3701.4","0.8","293.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Cl F3 N2 P Pd -","- C37 H35 Cl F3 N2 P Pd -","- C148 H140 Cl4 F12 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.065","","","","0.086","","","","","","6.493","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021965","8.652","0.003","10.517","0.003","18.683","0.006","92.46","0.004","97.873","0.0004","106.201","0.004","1611.3","0.8","100.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Cl8 N P Pd -","- C29 H26 Cl8 N P Pd -","- C58 H52 Cl16 N2 P2 Pd2 -","2","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.0612","","","","0.0844","","","","","","0.88","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021966","38.3957","0.0012","9.6498","0.0003","9.6342","0.0003","90","","101.35","","90","","3499.74","0.19","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C37 H38 Cl N2 P Pd -","- C37 H38 Cl N2 P Pd -","- C148 H152 Cl4 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.71073","MoKα","","0.0611","0.0601","","","0.1932","0.1951","","","","","","1.705","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021967","8.6283","0.0004","10.2323","0.0005","11.4766","0.0006","84.168","0.003","68.788","0.002","72.628","0.002","901.48","0.08","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C40 H42 N2 O12 -","2","2","","Albert Padwa; Qiu Wang","Synthesis of the Tetracyclic Framework of the Erythrina Alkaloids Using a [4 + 2]-Cycloaddition/Rh(I)-Catalyzed Cascade of 2-Imidofurans","Journal of Organic Chemistry","2006","71","","7391","7402","10.1021/jo061269p","","","1.54178","CuKα","","0.06","0.0578","","","0.1536","0.1553","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021968","9.953","0.0015","6.9505","0.0011","11.7107","0.0018","90","","98.204","0.003","90","","801.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Albert Padwa; Qiu Wang","Synthesis of the Tetracyclic Framework of the Erythrina Alkaloids Using a [4 + 2]-Cycloaddition/Rh(I)-Catalyzed Cascade of 2-Imidofurans","Journal of Organic Chemistry","2006","71","","7391","7402","10.1021/jo061269p","","","0.71073","MoKα","","0.1525","0.0882","","","0.1548","0.1772","","","","","","1.004","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021969","12.609","0.002","14.633","0.002","8.6593","0.0014","90","","104.353","0.003","90","","1547.9","0.4","571","2","571","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Naphthalen-1-yl-3-nitro-cyclopropane-1,1-dicarboxylic acid dimethyl ester","","","- C17 H15 N O6 -","- C17 H15 N O6 -","- C68 H60 N4 O24 -","4","1","","Séamus H. McCooey; Thomas McCabe; Stephen J. Connon","Stereoselective Synthesis of Highly Functionalized Nitrocyclopropanes via Organocatalyic Conjugate Addition to Nitroalkenes","Journal of Organic Chemistry","2006","71","","7494","7497","10.1021/jo0613838","","","0.71073","MoKα","","0.0489","0.0424","","","0.1147","0.1203","","","","","","1.063","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021970","6.8464","0.0014","8.435","0.0017","26.544","0.005","90","","92.16","0.03","90","","1531.8","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ferrocene-Me2Uracil","5-(Ferrocenylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione","","- C17 H19 Fe N3 O2 -","- C17 H19 Fe N3 O2 -","- C68 H76 Fe4 N12 O8 -","4","1","","Gilles Gasser; Matthew J. Belousoff; Alan M. Bond; Leone Spiccia","Facile Synthesis and Detailed Characterization of a New Ferrocenyl Uracil Peptide Nucleic Acid Monomer","Journal of Organic Chemistry","2006","71","","7565","7573","10.1021/jo060868t","","","0.71073","MoKα","","0.1047","0.0682","","","0.1843","0.2642","","","","","","1.256","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021971","7.2646","0.0008","11.5316","0.0012","19.383","0.002","90","","90","","90","","1623.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Fe N O -","- C18 H25 Fe N O -","- C72 H100 Fe4 N4 O4 -","4","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0309","0.0297","","","0.0735","0.0743","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021972","9.7784","0.0006","9.7784","0.0006","22.852","0.003","90","","90","","90","","2185","0.3","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C28 H29 Fe N O -","- C28 H29 Fe N O -","- C112 H116 Fe4 N4 O4 -","4","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0307","0.0291","","","0.0687","0.0696","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021973","8.5492","0.0011","17.527","0.002","28.923","0.004","90","","90","","90","","4333.9","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Fe N O -","- C28 H29 Fe N O -","- C224 H232 Fe8 N8 O8 -","8","2","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0304","0.0286","","","0.0671","0.068","","","","","","1.079","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021974","9.7996","0.0013","7.6731","0.001","17.769","0.002","90","","100.095","0.002","90","","1315.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H37 Fe N O -","- C32 H37 Fe N O -","- C64 H74 Fe2 N2 O2 -","2","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0418","0.04","","","0.0976","0.0987","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021975","12.7298","0.0002","12.7298","0.0002","33.4904","0.0008","90","","90","","120","","4699.96","0.15","173","1","173","1","","","","","","","","5","P 32","P 32","145","","(1S,4S,5R,6S,7S)-N-tert-butyloxycarbonyl-2-azabicyclo[2.2.1]heptan-7-bromo-5,6- (dimethylmethylene)dioxy-3-one","","- C14 H20 Br N O5 -","- C14 H20 Br N O5 -","- C168 H240 Br12 N12 O60 -","12","4","","James T. Slama; Nimish Mehta; Ewa Skrzypczak-Jankun","Carbocyclic Ribosylamines: Synthesis of 5-Substituted Carbocyclic β-Ribofuranosylamines","Journal of Organic Chemistry","2006","71","","7877","7880","10.1021/jo060920l","","","0.71073","MoKα","","0.0356","0.0257","","","0.0476","0.0494","","","","","","0.939","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021976","7.9231","0.0002","10.6847","0.0003","10.9859","0.0003","90","","100.571","0.001","90","","914.24","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C42 H44 O6 S2 -","2","1","","José L. García Ruano; M. Ángeles Fernández-Ibáñez; M. Carmen Maestro","Efficient trans-Selectivity in the Cyclocondensation of (S)-2-[2-(p-Tolylsulfinyl)phenyl]acetaldehyde with Activated Dienes Catalyzed by Yb(OTf)~3~","Journal of Organic Chemistry","2006","71","","7683","7689","10.1021/jo061128n","","","1.54178","CuKα","","0.0296","0.0288","","","0.0742","0.0751","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021977","6.3436","0.0001","7.2244","0.0001","18.0527","0.0002","90","","97.691","0.001","90","","819.889","0.019","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C38 H36 O6 S2 -","2","1","","José L. García Ruano; M. Ángeles Fernández-Ibáñez; M. Carmen Maestro","Efficient trans-Selectivity in the Cyclocondensation of (S)-2-[2-(p-Tolylsulfinyl)phenyl]acetaldehyde with Activated Dienes Catalyzed by Yb(OTf)~3~","Journal of Organic Chemistry","2006","71","","7683","7689","10.1021/jo061128n","","","1.54178","CuKα","","0.0386","0.0381","","","0.1016","0.1021","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021978","12.1305","0.0004","9.08","0.0003","13.9003","0.0004","90","","90.887","0.002","90","","1530.86","0.08","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C36 H35 N O5 -","- C36 H35 N O5 -","- C72 H70 N2 O10 -","2","1","","Gregory S. Coumbarides; Majid Motevalli; Warda A. Muse; Peter B. Wyatt","Stereoselective Synthesis of (E)-Mannosylidene Derivatives Using the Wittig Reaction","Journal of Organic Chemistry","2006","71","","7888","7891","10.1021/jo061178s","","","0.71073","MoKα","","0.0561","0.0449","","","0.1043","0.1098","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021979","11.768","0.003","23.204","0.005","12.531","0.003","90","","92.748","0.004","90","","3417.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 Cl3 F3 N2 O6 S -","- C31 H30 Cl3 F3 N2 O6 S -","- C124 H120 Cl12 F12 N8 O24 S4 -","4","1","","Stefan Spange; Mirko Bauer; Bernhard Walfort; Heinrich Lang","Barbituric Acid as a Substituent at Aryl Methylium Ions","Journal of Organic Chemistry","2006","71","","7850","7853","10.1021/jo061196+","","","0.71073","MoKα","","0.1545","0.0514","","","0.1207","0.1393","","","","","","0.75","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021980","9.745","0.004","10.385","0.004","17.013","0.007","85.174","0.007","88.923","0.008","80.529","0.007","1692.3","1.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H39 N5 O5 -","- C38 H39 N5 O5 -","- C76 H78 N10 O10 -","2","1","","Stefan Spange; Mirko Bauer; Bernhard Walfort; Heinrich Lang","Barbituric Acid as a Substituent at Aryl Methylium Ions","Journal of Organic Chemistry","2006","71","","7850","7853","10.1021/jo061196+","","","0.71073","MoKα","","0.0877","0.049","","","0.1231","0.1426","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021981","7.2504","0.0015","23.958","0.005","9.568","0.0019","90","","96.49","0.03","90","","1651.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C56 H88 N4 O20 P4 -","4","1","","Yang-Ping Liu; Lan-Fen Wang; Zhou Nie; Yi-Qiong Ji; Yang Liu; Ke-Jian Liu; Qiu Tian","Effect of the Phosphoryl Substituent in the Linear Nitrone on the Spin Trapping of Superoxide Radical and the Stability of the Superoxide Adduct: Combined Experimental and Theoretical Studies","Journal of Organic Chemistry","2006","71","","7753","7762","10.1021/jo061204m","","","0.71073","MoKα","","0.0807","0.0567","","","0.1676","0.1832","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021982","19.732","0.002","19.732","0.002","19.732","0.002","90","","90","","90","","7683.2","1.6","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C39 H45 Br3 O3 -","- C39 H45 Br3 O3 -","- C312 H360 Br24 O24 -","8","0.333333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71073","MoKα","","0.0999","0.0457","","","0.1096","0.1192","","","","","","0.827","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021983","36.383","0.004","36.383","0.004","36.383","0.004","90","","90","","90","","48160","8","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","","","- C93 H105 B3 -","- C93 H105 B3 -","- C1488 H1680 B48 -","16","0.333333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71073","MoKα","","0.218","0.0693","","","0.1625","0.2256","","","","","","0.879","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021984","32.199","0.007","32.199","0.007","12.957","0.004","90","","90","","120","","11634","5","298","2","298","2","","","","","","","","3","P 63","P 6c","173","","","","- C75 H69 N3 -","- C75 H69 N3 -","- C600 H552 N24 -","8","1.33333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71073","MoKα","","0.2048","0.1069","","","0.2709","0.3586","","","","","","1.03","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021985","19.844","0.005","19.844","0.005","19.844","0.005","90","","90","","90","","7814","3","298","2","298","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C39 H45 I3 O3 -","- C39 H45 I3 O3 -","- C312 H360 I24 O24 -","8","0.333333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71069","MoKα","","0.0809","0.0519","","","0.1338","0.1528","","","","","","1.016","","","","has coordinates,has disorder","277942","2022-09-17","18:22:32",""
"4021986","20.0396","0.0009","20.0396","0.0009","6.5949","0.0004","90","","90","","90","","2648.4","0.2","298","","298","","","","","","","","","4","P 42/n :2","-P 4bc","86","","(Z)-2-benzo[1,4]dioxin-2-ylidene-N,N-diethylacetamide","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","1","","Bartolo Gabriele; Giuseppe Salerno; Lucia Veltri; Raffaella Mancuso; Zhiyu Li; Alessandra Crispini; Anna Bellusci","A New Synthesis of 2,3-Dihydrobenzo[1,4]dioxine and 3,4-Dihydro-2H-benzo[1,4]oxazine Derivatives by Tandem Palladium-Catalyzed Oxidative Aminocarbonylation-Cyclization of 2-Prop-2-ynyloxyphenols and 2-Prop-2-ynyloxyanilines","Journal of Organic Chemistry","2006","71","","7895","7898","10.1021/jo061229l","","","0.71073","MoKα","","0.0795","0.0551","","","0.1668","0.1989","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021987","6.7277","0.0004","13.3202","0.001","14.9976","0.0011","89.706","0.004","86.144","0.004","86.008","0.004","1337.7","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(4H-benzo[1,4]oxazin-3-ylidene)-N,N-diethylacetamide","","- C28 H34 N4 O4 -","- C28 H34 N4 O4 -","- C56 H68 N8 O8 -","2","1","","Bartolo Gabriele; Giuseppe Salerno; Lucia Veltri; Raffaella Mancuso; Zhiyu Li; Alessandra Crispini; Anna Bellusci","A New Synthesis of 2,3-Dihydrobenzo[1,4]dioxine and 3,4-Dihydro-2H-benzo[1,4]oxazine Derivatives by Tandem Palladium-Catalyzed Oxidative Aminocarbonylation-Cyclization of 2-Prop-2-ynyloxyphenols and 2-Prop-2-ynyloxyanilines","Journal of Organic Chemistry","2006","71","","7895","7898","10.1021/jo061229l","","","0.71073","MoKα","","0.0726","0.0484","","","0.1367","0.1643","","","","","","1.056","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021988","16.481","0.002","27.466","0.004","14.888","0.002","90","","103.509","0.006","90","","6552.8","1.7","100","","100","","","","","","","","acetonitrile","5","P 1 21/c 1","-P 2ybc","14","","5-(2,6-di(phenylazo)-phenyl)-10,15,20-tri(2,4,6- trimethoxyphenyl)-porphyrin-acetonitrile-zinc(ii) acetonitrile solute","","- C71.5 H63.75 N11.25 O9 Zn -","- C71.51 H62.01 N11.26 O9 Zn -","- C286.04 H248.04 N45.04 O36 Zn4 -","4","1","","Maike V. Peters; Richard Goddard; Stefan Hecht","Synthesis and Characterization of Azobenzene-Confined Porphyrins","Journal of Organic Chemistry","2006","71","","7846","7849","10.1021/jo0612877","","","1.54178","CuKα","","0.1676","0.0953","","","0.2339","0.2852","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021989","16.309","0.006","27.606","0.01","15.201","0.005","90","","103.276","0.01","90","","6661","4","100","","100","","","","","","","","acetonitrile/cyclohexane","5","P 1 21/c 1","-P 2ybc","14","","5-(2,6-di(phenylazo)-phenyl)-10,15,20-tri(2,4,6- trimethoxyphenyl)-porphyrin-acetonitrile-zinc(ii) acetonitrile cyclohexane solute","","- C71.25 H64.5 N10 O9 Zn -","- C71.25 H59.25 N10 O9 Zn -","- C285 H237 N40 O36 Zn4 -","4","1","","Maike V. Peters; Richard Goddard; Stefan Hecht","Synthesis and Characterization of Azobenzene-Confined Porphyrins","Journal of Organic Chemistry","2006","71","","7846","7849","10.1021/jo0612877","","","1.54178","CuKα","","0.1793","0.1004","","","0.254","0.3119","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021990","17.081","0.004","6.1806","0.0017","18.749","0.005","90","","104.029","0.006","90","","1920.3","0.9","100","","100","","","","","","","","pentane also hexane/diethylether","3","P 1 21/n 1","-P 2yn","14","","4-tert-butyl-3,5-bis(phenyldiazenyl)toluene","","- C23 H24 N4 -","- C23 H24 N4 -","- C92 H96 N16 -","4","1","","Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht","On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives","Journal of Organic Chemistry","2006","71","","7840","7845","10.1021/jo061288z","","","0.8","synchrotron","","0.0704","0.0558","","","0.1271","0.1351","","","","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021991","6.173","0.003","15.424","0.008","19.545","0.011","90","","91.888","0.013","90","","1859.9","1.8","100","","100","","","","","","","","hexane/diethylether","3","P 1 21/n 1","-P 2yn","14","","2-phenyl-4-phenyldiazenyl-6-tert-butyl-indazole","","- C23 H22 N4 -","- C23 H22 N4 -","- C92 H88 N16 -","4","1","","Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht","On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives","Journal of Organic Chemistry","2006","71","","7840","7845","10.1021/jo061288z","","","0.8","synchrotron","","0.1015","0.0799","","","0.1954","0.2115","","","","","","1.027","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021992","23.155","0.002","11.9939","0.0013","7.0969","0.0007","90","","90","","90","","1970.9","0.3","100","","100","","","","","","","","acetonitrile","4","P b c n","-P 2n 2ab","60","","2-N-phenyl-indazol-3-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","","Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht","On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives","Journal of Organic Chemistry","2006","71","","7840","7845","10.1021/jo061288z","","","1.54178","CuKα","","0.1368","0.0638","","","0.1326","0.1689","","","","","","1.017","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021993","8.9899","0.0009","10.4965","0.001","11.5357","0.0011","67.726","0.005","72.898","0.005","88.678","0.005","957.95","0.16","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H29 F -","- C24 H29 F -","- C48 H58 F2 -","2","1","","Yi Wang; Jianjun Xu; Donald J. Burton","A Simple, Two-Step, Site-Specific Preparation of Fluorinated Naphthalene and Phenanthrene Derivatives from Fluorobromo-Substituted Alkenes","Journal of Organic Chemistry","2006","71","","7780","7784","10.1021/jo061305k","","","0.71069","MoKα","","0.0746","0.046","","","0.1103","0.1263","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021994","24.7067","0.0009","7.5782","0.0001","28.9751","0.0005","90","","101.974","0.003","90","","5307","0.2","190","2","190","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H17 F -","- C18 H17 F -","- C288 H272 F16 -","16","2","","Yi Wang; Jianjun Xu; Donald J. Burton","A Simple, Two-Step, Site-Specific Preparation of Fluorinated Naphthalene and Phenanthrene Derivatives from Fluorobromo-Substituted Alkenes","Journal of Organic Chemistry","2006","71","","7780","7784","10.1021/jo061305k","","","0.71073","MoKα","","0.0815","0.0466","","","0.1118","0.1291","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021995","10.517","0.001","12.589","0.001","13.854","0.001","72.45","0.01","70.51","0.01","70.07","0.01","1588.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-5-((E)-3-(1,4-bis(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol- 3-yl)allylidene)-1,3-bis(4-methoxyphenyl)imidazolidine-2,4-dione","","- C36 H31 N5 O7 -","- C36 H31 N5 O7 -","- C72 H62 N10 O14 -","2","1","","Roberta Palkó; Zsuzsanna Riedl; Orsolya Egyed; László Fábián; György Hajós","New Facile Tandem Route to Oxo- and Thioxo[1,2,4]triazolo[1,5-a]pyridinium Salts","Journal of Organic Chemistry","2006","71","","7805","7812","10.1021/jo061361l","","","1.54184","CUkα","","0.0763","0.0575","","","0.1658","0.1802","","","","","","1.105","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021996","8.568","0.003","36.381","0.007","9.457","0.006","90","","98.27","0.02","90","","2917","2","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 F3 N5 O8 -","- C30 H28 F2.939 N5 O8 -","- C120 H112 F11.756 N20 O32 -","4","1","","Elizabeth R. Gillies; Christel Dolain; Jean-Michel Léger; Ivan Huc","Amphipathic Helices from Aromatic Amino Acid Oligomers","Journal of Organic Chemistry","2006","71","","7931","7939","10.1021/jo0603577","","","1.54178","CuKα","","0.0609","0.0573","","","0.1814","0.1926","","","","","","1.124","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021997","10.6083","0.0004","21.8311","0.0005","24.3418","0.0011","86.317","0.004","89.074","0.004","83.529","0.003","5589.6","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H115 F9 N20 O23 -","- C110.99 H114.97 F9 N20 O23 -","- C221.98 H229.94 F18 N40 O46 -","2","1","","Elizabeth R. Gillies; Christel Dolain; Jean-Michel Léger; Ivan Huc","Amphipathic Helices from Aromatic Amino Acid Oligomers","Journal of Organic Chemistry","2006","71","","7931","7939","10.1021/jo0603577","","","1.54178","CuKα","","0.162","0.1427","","","0.4684","0.5164","","","","","","1.063","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021998","17.0458","0.0003","21.4658","0.0003","21.6536","0.0005","89.712","0.002","78.77","0.002","80.944","0.002","7671.8","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H166 F12 N24 O36 -","- C152 H132 F12 N24 O36 -","- C304 H264 F24 N48 O72 -","2","1","","Elizabeth R. Gillies; Christel Dolain; Jean-Michel Léger; Ivan Huc","Amphipathic Helices from Aromatic Amino Acid Oligomers","Journal of Organic Chemistry","2006","71","","7931","7939","10.1021/jo0603577","","","1.54178","CuKα","","0.1223","0.1136","","","0.4073","0.4387","","","","","","1.066","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021999","38.89","0.01","20.452","0.005","8.701","0.003","89","","89","","90","","6919","3","300.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H50 O4 -","- C42 H50 O4 -","- C336 H400 O32 -","8","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","1.5418","CuKα","","","0.045","","","","0.038","","","","","","1.885","","","","has coordinates","208254","2020-10-21","18:00:00",""
"4022000","20.07","0.009","20.84","0.01","10.101","0.006","91.39","0.05","100.87","0.04","104.53","0.04","4004","3","300.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C92 H118 O8 -","- C92 H116 O8 -","- C184 H232 O16 -","2","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","1.5418","CuKα","","","0.111","","","","0.081","","","","","","4.693","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022001","12.517","0.003","10.304","0.002","19.366","0.003","90","","104.76","0.04","90","","2415.3","1","298.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H32 O4 Si2 -","- C24 H32 O4 Si2 -","- C96 H128 O16 Si8 -","4","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","0.7107","MoKα","","","0.0436","","","","0.0676","","","","","","1.402","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022002","8.5096","0.0005","9.116","0.0003","22.3675","0.0012","90","","90","","90","","1735.13","0.15","293","2","293","2","","","","","","","","3","P c 21 b","P -2bc -2c","29","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Do Han Kim; Kwang Kim; Young Keun Chung","A Facile Synthesis of the Basic Steroidal Skeleton Using a Pauson-Khand Reaction as a Key Step","Journal of Organic Chemistry","2006","71","","8264","8267","10.1021/jo061052v","","","0.71073","MoKα","","0.0757","0.0491","","","0.1036","0.1156","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022003","7.9228","0.0001","10.6696","0.0002","11.9294","0.0002","100.696","0.0006","108.599","0.0006","94.2119","0.0007","929.58","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 I O3 S -","- C7 H7 I O3 S -","- C28 H28 I4 O12 S4 -","4","2","","Darko Dolenc; Božo Plesničar","Abstraction of Iodine from Aromatic Iodides by Alkyl Radicals: Steric and Electronic Effects","Journal of Organic Chemistry","2006","71","","8028","8036","10.1021/jo061125a","","","0.71073","MoKα","","0.027","0.0253","","","0.0701","0.071","","","","","","1.178","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022004","11.4023","0.0002","12.5114","0.0002","17.0335","0.0003","90","","101.099","0.0007","90","","2384.52","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 F6 I O -","- C10 H7 F6 I O -","- C80 H56 F48 I8 O8 -","8","2","","Darko Dolenc; Božo Plesničar","Abstraction of Iodine from Aromatic Iodides by Alkyl Radicals: Steric and Electronic Effects","Journal of Organic Chemistry","2006","71","","8028","8036","10.1021/jo061125a","","","0.71073","MoKα","","0.0298","0.0251","","","0.0644","0.0741","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022005","9.0732","0.001","10.0821","0.0011","10.659","0.0012","87.53","0.002","85.689","0.002","70.442","0.002","916.03","0.18","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H36 N2 O4 -","- C52 H36 N2 O4 -","- C52 H36 N2 O4 -","1","0.5","","Hyuma Masu; Ikuko Mizutani; Takako Kato; Isao Azumaya; Kentaro Yamaguchi; Keiki Kishikawa; Shigeo Kohmoto","Naphthalene- and Anthracene-Based Aromatic Foldamers with Iminodicarbonyl Linkers: Their Stabilities and Application to a Chiral Photochromic System Using Retro [4 + 4] Cycloaddition","Journal of Organic Chemistry","2006","71","","8037","8044","10.1021/jo0611317","","","0.71073","MoKα","","0.0738","0.0454","","","0.1105","0.1221","","","","","","1.061","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022006","9.0414","0.0007","9.4957","0.0007","13.2099","0.001","103.916","0.001","97.833","0.001","110.019","0.001","1004.17","0.13","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 N2 O4 -","- C54 H40 N2 O4 -","- C54 H40 N2 O4 -","1","0.5","","Hyuma Masu; Ikuko Mizutani; Takako Kato; Isao Azumaya; Kentaro Yamaguchi; Keiki Kishikawa; Shigeo Kohmoto","Naphthalene- and Anthracene-Based Aromatic Foldamers with Iminodicarbonyl Linkers: Their Stabilities and Application to a Chiral Photochromic System Using Retro [4 + 4] Cycloaddition","Journal of Organic Chemistry","2006","71","","8037","8044","10.1021/jo0611317","","","0.71073","MoKα","","0.0776","0.0585","","","0.1486","0.1621","","","","","","1.05","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022007","6.656","0.005","8.686","0.005","20.105","0.005","95.741","0.005","94.709","0.005","109.103","0.005","1084.7","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl N2 O2 S -","- C25 H21 Cl N2 O2 S -","- C50 H42 Cl2 N4 O4 S2 -","2","1","","Yan Li; Fushun Liang; Xihe Bi; Qun Liu","Intramolecular Thia-anti-Michael Addition of a Sulfur Anion to Enones: A Regiospecific Approach to Multisubstituted Thiophene Derivatives","Journal of Organic Chemistry","2006","71","","8006","8010","10.1021/jo0611420","","","0.71069","MoKα","","0.1224","0.079","","","0.2065","0.2483","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022008","12.396","0.005","6.627","0.005","27.073","0.005","90","0.005","94.564","0.005","90","0.005","2216.9","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O3 S -","- C26 H24 N2 O3 S -","- C104 H96 N8 O12 S4 -","4","1","","Yan Li; Fushun Liang; Xihe Bi; Qun Liu","Intramolecular Thia-anti-Michael Addition of a Sulfur Anion to Enones: A Regiospecific Approach to Multisubstituted Thiophene Derivatives","Journal of Organic Chemistry","2006","71","","8006","8010","10.1021/jo0611420","","","0.71069","MoKα","","0.1363","0.0804","","","0.1533","0.1788","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022009","10.849","0.005","16.398","0.003","9.71","0.006","90","","90","","90","","1727.5","1.3","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Weimin Lin; Nancy Tryder; Fan Su; Charles K. Zercher; Jerry P. Jasinski; Ray J. Butcher","Stereocontrolled Formation of Ketomethylene Isosteres through Tandem Chain Extension Reactions","Journal of Organic Chemistry","2006","71","","8140","8145","10.1021/jo061184o","","","0.71069","MoKα","","","0.0506","","","","0.2045","","","","","","0.995","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022010","8.384","0.004","20.291","0.005","6.443","0.004","90.29","0.02","112.06","0.03","89.876","0.009","1015.8","0.8","295.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N5 O7 -","- C18 H22 N5 O7 -","- C36 H44 N10 O14 -","2","1","","Weimin Lin; Nancy Tryder; Fan Su; Charles K. Zercher; Jerry P. Jasinski; Ray J. Butcher","Stereocontrolled Formation of Ketomethylene Isosteres through Tandem Chain Extension Reactions","Journal of Organic Chemistry","2006","71","","8140","8145","10.1021/jo061184o","","","0.7107","MoKα","","","0.0428","","","","0.0614","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022011","5.7024","0.0002","18.5996","0.0006","19.8661","0.0009","90.011","0.002","89.994","0.002","85.451","0.002","2100.41","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","O,N-Dibenzoyl-5-hydroxylamino-3-heptafluoropropyl-1,2,4-triazin-6-one","","- C20 H11 F7 N4 O4 -","- C20 H11 F7 N4 O4 -","- C80 H44 F28 N16 O16 -","4","2","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Ivana Pibiri; Nicoló Vivona; Gianluca Giorgi; Andrea Mazzanti; Domenico Spinelli","Five-to-Six Membered Ring-Rearrangements in the Reaction of 5-Perfluoroalkyl-1,2,4-oxadiazoles with Hydrazine and Methylhydrazine","Journal of Organic Chemistry","2006","71","","8106","8113","10.1021/jo061251e","","","0.71073","MoKα","","0.1582","0.0615","","","0.1124","0.1412","","","","","","0.997","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4022012","5.267","0.002","40.867","0.008","9.623","0.002","90","","102.16","0.01","90","","2024.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-N-methyl-5-hydroxylamino-3-pentadecafluoroheptyl-1,2,4-triazin-6-one","","- C13 H10 F15 N4 O3 -","- C13 H11 F15 N4 O3 -","- C52 H44 F60 N16 O12 -","4","1","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Ivana Pibiri; Nicoló Vivona; Gianluca Giorgi; Andrea Mazzanti; Domenico Spinelli","Five-to-Six Membered Ring-Rearrangements in the Reaction of 5-Perfluoroalkyl-1,2,4-oxadiazoles with Hydrazine and Methylhydrazine","Journal of Organic Chemistry","2006","71","","8106","8113","10.1021/jo061251e","","","0.71073","MoKα","","0.3206","0.1088","","","0.2149","0.3066","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022013","10.2668","0.0003","6.1673","0.0002","30.2383","0.0007","90","","93.43","0.001","90","","1911.21","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Heptadecafluorooctyl-1-methyl-5-phenyl-1H-[1,2,4]triazole","","- C16 H8 F15 N3 -","- C16 H8 F15 N3 -","- C64 H32 F60 N12 -","4","1","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Ivana Pibiri; Nicoló Vivona; Gianluca Giorgi; Andrea Mazzanti; Domenico Spinelli","Five-to-Six Membered Ring-Rearrangements in the Reaction of 5-Perfluoroalkyl-1,2,4-oxadiazoles with Hydrazine and Methylhydrazine","Journal of Organic Chemistry","2006","71","","8106","8113","10.1021/jo061251e","","","0.71073","MoKα","","0.0579","0.0393","","","0.0859","0.0946","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022014","19.642","0.007","10.2","0.004","8.221","0.003","90","","95.4","0.02","90","","1639.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F3 N O8 S -","- C13 H10 F3 N O8 S -","- C52 H40 F12 N4 O32 S4 -","4","1","","Hermut Wehlan; Eva Jezek; Nathalie Lebrasseur; Grégoire Pavé; Emmanuel Roulland; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Synthesis of the CDEF Ring System","Journal of Organic Chemistry","2006","71","","8151","8158","10.1021/jo0613378","","","1.54178","CuKα","","0.143","0.0817","","","0.2078","0.2496","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022015","14.21","0.004","8.578","0.003","13.297","0.004","90","","103.33","0.006","90","","1577.3","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.1036","0.0464","","","0.104","0.1328","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022016","16.447","0.003","13.067","0.002","13.693","0.002","90","","101.532","0.003","90","","2883.5","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O -","- C20 H16 O -","- C160 H128 O8 -","8","2","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.1187","0.0438","","","0.0889","0.1145","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022017","9.1968","0.0018","9.722","0.002","11.602","0.002","66.783","0.003","82.017","0.004","75.466","0.003","921.9","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 O S -","- C25 H18 O S -","- C50 H36 O2 S2 -","2","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.0653","0.0427","","","0.1088","0.125","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022018","18.454","0.004","22.937","0.005","7.2039","0.0015","90","","90","","90","","3049.3","1.2","294","2","294","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C21 H16 O -","- C21 H16 O -","- C168 H128 O8 -","8","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.1134","0.0446","","","0.0859","0.1088","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022019","33.97","0.005","9.2207","0.0015","23.354","0.004","90","","110.094","0.003","90","","6870","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18.25 Fe O -","- C23 H18.25 Fe O -","- C368 H292 Fe16 O16 -","16","4","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.2201","0.0769","","","0.1731","0.2285","","","","","","1.042","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022020","8.6562","0.0015","8.6562","0.0015","22.961","0.006","90","","90","","90","","1720.5","0.6","294","2","294","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","0.5","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.0726","0.0452","","","0.1058","0.1191","","","","","","1.156","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022021","19.51","0.003","18.79","0.003","11.821","0.002","90","","126.895","0.002","90","","3465.7","1","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C176 H192 O16 -","8","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.09","0.0488","","","0.117","0.1364","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022022","12.8189","0.0009","7.7506","0.0005","15.7635","0.0011","90","","94.281","0.001","90","","1561.8","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 F4 O4 -","- C14 H20 F4 O4 -","- C56 H80 F16 O16 -","4","1","","Gerry A. Griffith; Ian H. Hillier; Jonathan M. Percy; Ricard Roig; Mark A. Vincent","Quantifying the Reactivity of a Remarkably Long-Lived Difluorinated Enol in Acidic Methanol via Solution Kinetics and Electronic Structure Calculations","Journal of Organic Chemistry","2006","71","","8250","8255","10.1021/jo061450y","","","0.71073","MoKα","","0.0387","0.0362","","","0.0936","0.0954","","","","","","1.035","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022023","7.1422","0.0003","11.0909","0.0004","21.2039","0.0007","90","","90","","90","","1679.63","0.11","220","2","220","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","Methyl aceric acid dimer","Dimethyl (2S,3R,3aS,4aS,6S,7R,7aS,8aS)-3,7-dihydroxy-2,6-dimethyl- hexahydro-1,4,5,8-tetraoxa-s-indacene-3,7-dicarboxylate","","- C14 H22 O11 -","- C14 H22 O11 -","- C56 H88 O44 -","4","1","","Mattie S. M. Timmer; Bridget L. Stocker; Peter H. Seeberger","De Novo Synthesis of Aceric Acid and an Aceric Acid Building Block","Journal of Organic Chemistry","2006","71","","8294","8297","10.1021/jo061607m","","","0.7107","MoKα","","0.0372","0.0323","","","0.0816","0.0849","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022024","5.4985","0.0007","13.2676","0.0011","20.6881","0.0013","90","","90","","90","","1509.2","0.2","220","2","220","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","Methyl 4-epi-aceric acid diethyl dithio acetal","5-deoxy-3-C-methoxycarbonyl-D-arabinose diethyl dithio acetal","","- C11 H22 O5 S2 -","- C11 H22 O5 S2 -","- C44 H88 O20 S8 -","4","1","","Mattie S. M. Timmer; Bridget L. Stocker; Peter H. Seeberger","De Novo Synthesis of Aceric Acid and an Aceric Acid Building Block","Journal of Organic Chemistry","2006","71","","8294","8297","10.1021/jo061607m","","","0.7107","MoKα","","0.0863","0.0576","","","0.1211","0.1362","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022025","8.2354","0.0002","15.8639","0.0004","28.4689","0.0008","90","","90","","90","","3719.34","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 N2 O6 -","- C40 H48 N2 O6 -","- C160 H192 N8 O24 -","4","1","","Paul R. Blakemore; Colin Kilner; Selena D. Milicevic","Resolution, Enantiomerization Kinetics, and Chiroptical Properties of 7,7'-Dihydroxy-8,8'-biquinolyl","Journal of Organic Chemistry","2006","71","","8212","8218","10.1021/jo061608e","","x-ray","0.71073","MoKα","","0.0848","0.0527","","","0.1101","0.1266","","","","","","1.086","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022026","17.987","0.004","11.679","0.002","13.663","0.003","90","","111.21","0.03","90","","2675.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methyl-2-phenyl-4-(trimethylphosphoranylidene)-2,4- dihydro-3H-pyrazol-3-one","","- C13 H17 N2 O P -","- C13 H17 N2 O P -","- C104 H136 N16 O8 P8 -","8","2","","Anatoliy P. Marchenko; Georgyi N. Koidan; Aleksandr N. Kostyuk; Andrei A. Tolmachev; Evgenij G. Kapustin; Aleksandr M. Pinchuk","A Representative of P,P,P-Trihalogenylides: Synthesis and Structure","Journal of Organic Chemistry","2006","71","","8633","8636","10.1021/jo0606352","","","1.54178","CuKα","","0.086","0.0557","","","0.134","0.1479","","","","","","1.017","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022027","12.028","0.004","12.923","0.005","16.482","0.004","90","","90","","90","","2561.8","1.4","293","","293","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-4-(trichlorophoshoranylidene)- 2,4-dihydro-3H-pyrazol-3-one","","- C10 H8 Cl3 N2 O P -","- C10 H8 Cl3 N2 O P -","- C80 H64 Cl24 N16 O8 P8 -","8","1","","Anatoliy P. Marchenko; Georgyi N. Koidan; Aleksandr N. Kostyuk; Andrei A. Tolmachev; Evgenij G. Kapustin; Aleksandr M. Pinchuk","A Representative of P,P,P-Trihalogenylides: Synthesis and Structure","Journal of Organic Chemistry","2006","71","","8633","8636","10.1021/jo0606352","","","1.5418","CuKα","","0.1734","0.0612","","0.1308","0.0625","0.0625","","","","","","1.1512","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022028","10.127","0.008","12.462","0.009","25.76","0.02","84.4","0.04","84.69","0.03","78.62","0.03","3163","4","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H54 Cl6 O12 -","- C75 H54 Cl6 O12 -","- C150 H108 Cl12 O24 -","2","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, -(C~6~H~4~O)~n~- (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.069","","","","0.104","","","","","","0.997","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022029","14.61","0.02","10.187","0.015","26.99","0.04","90","","101.36","0.03","90","","3938","11","293.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 Cl6 O7 -","- C44 H30 Cl6 O7 -","- C176 H120 Cl24 O28 -","4","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, - (C~6~H~4~O)~n~ - (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.0566","","","","0.0507","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022030","9.596","0.007","14.145","0.01","17.077","0.013","83.87","0.04","81.86","0.03","87.12","0.03","2280","3","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H34 Cl6 O8 -","- C50 H34 Cl6 O8 -","- C100 H68 Cl12 O16 -","2","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, - (C~6~H~4~O)~n~ - (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.0816","","","","0.1334","","","","","","0.954","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022031","10.566","0.009","14.099","0.011","19.125","0.014","77.94","0.04","74.87","0.03","76.71","0.03","2643","4","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H51 Cl3 O9 -","- C55 H37 Cl3 O9 -","- C110 H74 Cl6 O18 -","2","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, - (C~6~H~4~O)~n~ - (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.11","","","","0.159","","","","","","0.784","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022032","17.51","0.01","5.662","0.001","9.238","0.003","90","","90.25","0.02","90","","915.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F2 O2 -","- C10 H8 F2 O2 -","- C40 H32 F8 O8 -","4","1","","Wadih Ghattas; Corinna R. Hess; Gilles Iacazio; Renaud Hardré; Judith P. Klinman; Marius Réglier","Pathway for the Stereocontrolled Z and E Production of α,α-Difluorine-Substituted Phenyl Butenoates","Journal of Organic Chemistry","2006","71","","8618","8621","10.1021/jo061022s","","","0.71073","MoKα","","0.0625","0.0545","","","0.118","0.1226","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022033","18.045","0.001","5.4411","0.0002","9.4675","0.0006","90","","93.781","0.001","90","","927.47","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F2 O2 -","- C10 H8 F2 O2 -","- C40 H32 F8 O8 -","4","1","","Wadih Ghattas; Corinna R. Hess; Gilles Iacazio; Renaud Hardré; Judith P. Klinman; Marius Réglier","Pathway for the Stereocontrolled Z and E Production of α,α-Difluorine-Substituted Phenyl Butenoates","Journal of Organic Chemistry","2006","71","","8618","8621","10.1021/jo061022s","","","0.71073","MoKα","","0.0551","0.0442","","","0.1039","0.1111","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022034","8.2333","0.0006","25.9013","0.0019","9.8295","0.0007","90","","95.776","0.001","90","","2085.5","0.3","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","","Uttam K. Tambar; Taichi Kano; John F. Zepernick; Brian M. Stoltz","Convergent and Diastereoselective Synthesis of the Polycyclic Pyran Core of Saudin","Journal of Organic Chemistry","2006","71","","8357","8364","10.1021/jo061236+","","","0.71073","MoKα","","0.0574","0.0418","","","0.0643","0.0657","","","","","","1.845","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022035","12.3799","0.0011","7.2521","0.0007","17.2138","0.0015","90","","101.892","0.002","90","","1512.3","0.2","98","2","98","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C72 H64 O24 -","4","1","","Uttam K. Tambar; Taichi Kano; John F. Zepernick; Brian M. Stoltz","Convergent and Diastereoselective Synthesis of the Polycyclic Pyran Core of Saudin","Journal of Organic Chemistry","2006","71","","8357","8364","10.1021/jo061236+","","","0.71073","MoKα","","0.0606","0.0425","","","0.0689","0.071","","","","","","1.948","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022036","10.3188","0.0007","10.5705","0.0008","27.269","0.002","90","","92.941","0.001","90","","2970.5","0.4","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 O6 Si -","- C34 H38 O6 Si -","- C136 H152 O24 Si4 -","4","1","","Uttam K. Tambar; Taichi Kano; John F. Zepernick; Brian M. Stoltz","Convergent and Diastereoselective Synthesis of the Polycyclic Pyran Core of Saudin","Journal of Organic Chemistry","2006","71","","8357","8364","10.1021/jo061236+","","","0.71073","MoKα","","0.0835","0.0491","","","0.0689","0.0712","","","","","","1.686","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022037","11.6082","0.0006","11.9869","0.0005","16.3251","0.0008","94.876","0.003","100.979","0.002","91.852","0.003","2219.2","0.18","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H42 O4 -","- C60 H42 O4 -","- C120 H84 O8 -","2","1","","Chung-Chieh Lee; Man-kit Leung; Gene-Hsiang Lee; Yi-Hung Liu; Shie-Ming Peng","Revisit of the Dessy-White Intramolecular Acetylene-Acetylene [2 + 2] Cycloadditions","Journal of Organic Chemistry","2006","71","","8417","8423","10.1021/jo061334v","","","0.71073","MoKα","","0.1549","0.0666","","","0.1408","0.183","","","","","","1.021","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022038","6.4818","0.0013","9.578","0.0019","8.9682","0.0018","90","","91.9","0.03","90","","556.47","0.19","243","2","243","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl O3 -","- C12 H15 Cl O3 -","- C24 H30 Cl2 O6 -","2","1","","Jollie D. Godfrey, Jr.; Rita T. Fox; Frederic G. Buono; Jack Z. Gougoutas; Mary F. Malley","Novel 1,4-Homofragmentation via an α-Lactone","Journal of Organic Chemistry","2006","71","","8647","8650","10.1021/jo0613380","","x-ray","1.54178","CuKα","","0.1001","0.0904","","","0.2235","0.243","","","","","","1.456","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022039","16.2933","0.0019","12.0291","0.0014","27.005","0.003","90","","99.948","0.002","90","","5213.3","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N O3 Si -","- C28 H29 N O3 Si -","- C224 H232 N8 O24 Si8 -","8","2","","Christopher J. T. Hyland; Louis S. Hegedus","Gold-Catalyzed and N-Iodosuccinimide-Mediated Cyclization of -Substituted Allenamides","Journal of Organic Chemistry","2006","71","","8658","8660","10.1021/jo061340r","","","0.71073","MoKα","","0.1145","0.0502","","","0.1204","0.1588","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022040","14.939","0.01","11.769","0.008","8.078","0.005","90","","104.291","0.007","90","","1376.4","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jrc1551n","","","- C14 H7 Cl3 N2 O -","- C14 H7 Cl3 N2 O -","- C56 H28 Cl12 N8 O4 -","4","1","","Raymond J. Cvetovich; Robert A. Reamer; Lisa DiMichele; John Y. L. Chung; Jennifer R. Chilenski","Unique Tandem Heck-Lactamization Naphthyridinone Ring Formation between Acrylanilides and Halogenated Pyridines","Journal of Organic Chemistry","2006","71","","8610","8613","10.1021/jo0613479","","","0.71073","MoKα","","0.0931","0.0517","","","0.1182","0.1345","","","","","","0.955","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022041","7.9218","0.001","15.295","0.002","10.2586","0.001","90","","99.385","0.006","90","","1226.3","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","Paquette 1483","","","- C13 H13 Br2 N O -","- C13 H13 Br2 N O -","- C52 H52 Br8 N4 O4 -","4","1","","Leo A. Paquette; Robert D. Dura; Nathan Fosnaugh; Marshall Stepanian","Direct Comparison of the Response of Bicyclic Sultam and Lactam Dienes to Photoexcitation. Concerning the Propensity of Differing Bond Types to Bridgehead Nitrogen for Homolytic Cleavage","Journal of Organic Chemistry","2006","71","","8438","8445","10.1021/jo061404y","","x-ray","0.71073","MoKα","","0.0377","0.0254","","","0.0545","0.0578","","","","","","1.031","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022042","11.46","0.002","11.07","0.002","17.536","0.003","90","","100.395","0.01","90","","2188.1","0.7","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C96 H88 N8 O16 S8 -","8","2","","Leo A. Paquette; Robert D. Dura; Nathan Fosnaugh; Marshall Stepanian","Direct Comparison of the Response of Bicyclic Sultam and Lactam Dienes to Photoexcitation. Concerning the Propensity of Differing Bond Types to Bridgehead Nitrogen for Homolytic Cleavage","Journal of Organic Chemistry","2006","71","","8438","8445","10.1021/jo061404y","","x-ray","0.71073","MoKα","","0.0503","0.0416","","","0.0982","0.1023","","","","","","1.026","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022043","12.701","0.003","14.224","0.003","15.263","0.003","90","","91.56","0.03","90","","2756.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 B Cl2 N O8 -","- C29 H20 B Cl2 N O8 -","- C116 H80 B4 Cl8 N4 O32 -","4","1","","K. M. K. Swamy; Yoon Ju Lee; Han Na Lee; Jihyun Chun; Youngmee Kim; Sung-Jin Kim; Juyoung Yoon","A New Fluorescein Derivative Bearing a Boronic Acid Group as a Fluorescent Chemosensor for Fluoride Ion","Journal of Organic Chemistry","2006","71","","8626","8628","10.1021/jo061429x","","","0.71073","MoKα","","0.2762","0.1112","","","0.2902","0.3784","","","","","","0.965","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022044","19.017","0.003","7.7976","0.0011","8.8937","0.0012","90","","90","","90","","1318.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Azasugar","","","- C12 H21 N O5 -","- C12 H21 N O5 -","- C48 H84 N4 O20 -","4","1","","Ganesh Pandey; Shrinivas G. Dumbre; M. Islam Khan; M. Shabab","Convergent Approach toward the Synthesis of the Stereoisomers of C-6 Homologues of 1-Deoxynojirimycin and Their Analogues: Evaluation as Specific Glycosidase Inhibitors","Journal of Organic Chemistry","2006","71","","8481","8488","10.1021/jo061455v","","","0.71073","MoKα","","0.0412","0.0385","","","0.0836","0.0845","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022045","5.3217","0.0007","9.7758","0.0013","16.549","0.002","90","","92.897","0.002","90","","859.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Azasugar","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Ganesh Pandey; Shrinivas G. Dumbre; M. Islam Khan; M. Shabab","Convergent Approach toward the Synthesis of the Stereoisomers of C-6 Homologues of 1-Deoxynojirimycin and Their Analogues: Evaluation as Specific Glycosidase Inhibitors","Journal of Organic Chemistry","2006","71","","8481","8488","10.1021/jo061455v","","","0.71073","MoKα","","0.0746","0.0724","","","0.2217","0.2235","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022046","8.335","0.003","11.268","0.004","11.396","0.004","71.118","0.007","82.086","0.007","85.152","0.007","1002.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Cl N O2 P -","- C23 H21 Cl N O2 P -","- C46 H42 Cl2 N2 O4 P2 -","2","1","","Wei Tang; Yi-Xiang Ding","Synthesis of Phosphaisoquinolin-1-ones by Pd(II)-Catalyzed Cyclization of o-(1-Alkynyl)phenylphosphonamide Monoesters","Journal of Organic Chemistry","2006","71","","8489","8492","10.1021/jo0614644","","","0.71073","MoKα","","0.0916","0.0573","","","0.1214","0.1375","","","","","","0.924","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022047","6.2665","0.0015","13.0901","0.0015","12.7349","0.0017","90","","102.746","0.014","90","","1018.9","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 I O3 -","- C9 H11 I O3 -","- C36 H44 I4 O12 -","4","1","","Alexey Y. Koposov; Rashad R. Karimov; Ivan M. Geraskin; Victor N. Nemykin; Viktor V. Zhdankin","2-Iodylphenol Ethers: Preparation, X-ray Crystal Structure, and Reactivity of New Hypervalent Iodine(V) Oxidizing Reagents","Journal of Organic Chemistry","2006","71","","8452","8458","10.1021/jo0614947","","","0.71073","MoKα","","0.0415","0.0384","","0.1051","0.1031","0.1031","","","","","","0.8219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022048","14.117","0.005","12.342","0.003","6.582","0.005","90","","98.8","0.04","90","","1133.3","1","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 I O3 -","- C10 H13 I O3 -","- C40 H52 I4 O12 -","4","1","","Alexey Y. Koposov; Rashad R. Karimov; Ivan M. Geraskin; Victor N. Nemykin; Viktor V. Zhdankin","2-Iodylphenol Ethers: Preparation, X-ray Crystal Structure, and Reactivity of New Hypervalent Iodine(V) Oxidizing Reagents","Journal of Organic Chemistry","2006","71","","8452","8458","10.1021/jo0614947","","","0.71073","MoKα","","0.064","0.0445","","0.1264","0.1078","0.1078","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022049","6.0038","0.0002","8.1286","0.0002","23.0641","0.0007","90","","90.5392","0.0014","90","","1125.5","","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","6-[(4-Methylphenyl)sulfonyl]-3-oxa-6-azabicyclo[3.1.0]hexane","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","","David M. Hodgson; Bogdan Štefane; Timothy J. Miles; Jason Witherington","Organolithium-Induced Alkylative Ring Opening of Aziridines: Synthesis of Unsaturated Amino Alcohols and Ethers","Journal of Organic Chemistry","2006","71","","8510","8515","10.1021/jo0615201","","","0.71073","MoKα","","","0.0408","","","","0.0485","","","","","","1.0548","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022050","11.8092","0.0004","10.8815","0.0004","11.5938","0.0005","90","","113.039","0.0014","90","","1371","0.09","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-N-(4-methyllene-1,6-dioxaspiro[4.4]non-3-yl)-4-propane-2-sulfonamide","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C48 H84 N4 O16 S4 -","4","1","","David M. Hodgson; Bogdan Štefane; Timothy J. Miles; Jason Witherington","Organolithium-Induced Alkylative Ring Opening of Aziridines: Synthesis of Unsaturated Amino Alcohols and Ethers","Journal of Organic Chemistry","2006","71","","8510","8515","10.1021/jo0615201","","","0.71073","MoKα","","","0.0609","","","","0.0721","","","","","","0.9971","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022051","8.161","0.003","10.241","0.004","34.89","0.012","90","","90","","90","","2916","1.9","108","2","108","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 N3 O5 -","- C30 H39 N3 O5 -","- C120 H156 N12 O20 -","4","1","","Takashi Emura; Toru Esaki; Kazutaka Tachibana; Makoto Shimizu","Efficient Asymmetric Synthesis of Novel Gastrin Receptor Antagonist AG-041R via Highly Stereoselective Alkylation of Oxindole Enolates","Journal of Organic Chemistry","2006","71","","8559","8564","10.1021/jo061541v","","","0.7","","","0.0409","0.0407","","","0.1058","0.1062","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022052","9.2444","0.0009","12.5227","0.0012","15.7503","0.0015","90","","90.117","0.012","90","","1823.3","0.3","293","2","293","2","","","","","","","","3","P c m n","-P 2n 2ac","62","","","","- C26 H32 O -","- C26 H32 O -","- C104 H128 O4 -","4","0.5","","Andrey A. Fokin; Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson","Reactivity of [1(2,3)4]Pentamantane (T~d~-Pentamantane): A Nanoscale Model of Diamond","Journal of Organic Chemistry","2006","71","","8532","8540","10.1021/jo061561x","","","0.71073","MoKα","","0.0712","0.0413","","","0.1163","0.1357","","","","","","0.855","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022053","17.134","0.002","23.476","0.002","8.699","0.001","90","","102.01","0.01","90","","3422.5","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(5-Hydroxy-5-methylhexa-1,3-diynyl)-9H-fluoren-9-one","","- C20.5 H14 Cl1.5 D0.5 O2 -","- C20.5 H14 Cl1.5 D0.5 O2 -","- C164 H112 Cl12 D4 O16 -","8","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0666","0.0414","","","0.0985","0.1128","","","","","","1.027","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022054","13.4126","0.0016","12.6904","0.0014","13.4632","0.0015","90","","113.86","0.01","90","","2095.7","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-6-(pyridine-2-yl)hexa-3,5-diyn-2-ol","","- C12 H11 N O -","- C12 H11 N O -","- C96 H88 N8 O8 -","8","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0512","0.0397","","","0.1064","0.118","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022055","3.7873","0.0003","21.832","0.002","13.6754","0.0012","90","","96.58","0.01","90","","1123.3","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Buta-1,3-diynyl)-9H-fluoren-9-one","","- C17 H8 O -","- C17 H8 O -","- C68 H32 O4 -","4","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0594","0.0361","","","0.0775","0.0829","","","","","","0.882","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022056","7.3361","0.0007","16.6477","0.0014","18.7004","0.0015","90","","90","","90","","2283.9","0.3","120","2","120","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","4-(Buta-1,3-diynyl)-1,1'-biphenyl","","- C16 H10 -","- C16 H10 -","- C128 H80 -","8","2","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0778","0.0532","","","0.0921","0.099","","","","","","1.086","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022057","3.82","0.0004","14.3322","0.0015","12.4728","0.0014","90","","95.235","0.015","90","","680.02","0.13","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(buta-1,3-diynyl)-pyridine","","- C9 H5 N -","- C9 H5 N -","- C36 H20 N4 -","4","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0542","0.0367","","","0.0884","0.0957","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022058","3.8203","0.0004","8.8878","0.0009","10.3102","0.0011","104.261","0.004","92.738","0.004","92.274","0.004","338.42","0.06","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","4-(buta-1,3-diynyl)-pyridine","","- C9 H5 N -","- C9 H5 N -","- C18 H10 N2 -","2","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.069","0.042","","","0.0802","0.0882","","","","","","0.858","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022059","3.8182","0.0007","17.949","0.003","9.4768","0.0016","90","","94.48","0.01","90","","647.5","0.2","120","2","120","2","","","","","","","","3","P 1 n 1","P -2yac","7","","2-(Buta-1,3-diynyl)pyrazine","","- C8 H4 N2 -","- C8 H4 N2 -","- C32 H16 N8 -","4","2","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0625","0.0553","","","0.1505","0.1566","","","","","","1.054","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022060","19.223","0.002","12.311","0.0015","22.588","0.003","90","","90","","90","","5345.6","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl2 F2 N3 O -","- C29 H27 Cl2 F2 N3 O -","- C232 H216 Cl16 F16 N24 O8 -","8","1","","John Y. L. Chung; Raymond J. Cvetovich; Mark McLaughlin; Joseph Amato; Fuh-Rong Tsay; Mark Jensen; Steve Weissman; Daniel Zewge","Synthesis of a Naphthyridone p38 MAP Kinase Inhibitor","Journal of Organic Chemistry","2006","71","","8602","8609","10.1021/jo061618f","","","0.71073","MoKα","","0.0785","0.0489","","","0.112","0.1256","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022061","10.1891","0.001","12.4256","0.0011","17.2441","0.0017","90","","90","","90","","2183.2","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05140a","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.0422","0.0316","","","0.0679","0.0737","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022062","10.6366","0.0009","13.009","0.0011","15.8176","0.0013","90","","90","","90","","2188.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05183a","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.0451","0.0327","","","0.0738","0.0829","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022063","8.2606","0.0008","10.2738","0.001","16.721","0.0016","90","","97.719","0.002","90","","1406.2","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","06095","","","- C32 H32 Cl2 N2 O2 -","- C32 H32 Cl2 N2 O2 -","- C64 H64 Cl4 N4 O4 -","2","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.066","0.0484","","","0.1179","0.1326","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022064","9.7828","0.0009","9.8015","0.0009","15.3502","0.0014","78.978","0.002","82.309","0.002","68.047","0.002","1336.8","0.2","467","2","467","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H34 O5 -","- C31 H34 O5 -","- C62 H68 O10 -","2","1","","Jenny Y. Yang; Julien Bachmann; Daniel G. Nocera","Hangman Salen Platforms Containing Two Xanthene Scaffolds","Journal of Organic Chemistry","2006","71","","8706","8714","10.1021/jo0613075","","","0.71073","MoKα","","0.1084","0.072","","","0.1568","0.1738","","","","","","1.021","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022065","9.157","0.007","11.143","0.01","12.5","0.011","77.035","0.014","83.053","0.017","79.421","0.018","1217.6","1.8","467","2","467","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 B O5 -","- C25 H33 B O5 -","- C50 H66 B2 O10 -","2","1","","Jenny Y. Yang; Julien Bachmann; Daniel G. Nocera","Hangman Salen Platforms Containing Two Xanthene Scaffolds","Journal of Organic Chemistry","2006","71","","8706","8714","10.1021/jo0613075","","","0.71073","MoKα","","0.1935","0.097","","","0.171","0.2057","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022066","17.111","0.009","8.01","0.005","11.588","0.006","90","","105.1","0.02","90","","1533.4","1.4","123.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H32 Cl2 Rh2 -","- C38 H32 Cl2 Rh2 -","- C76 H64 Cl4 Rh4 -","2","0.5","","Guillaume Berthon-Gelloz; Tamio Hayashi","Expanding the C2-Symmetric Bicyclo[2.2.1]hepta-2,5-diene Ligand Family: Concise Synthesis and Catalytic Activity in Rhodium-Catalyzed Asymmetric Addition","Journal of Organic Chemistry","2006","71","","8957","8960","10.1021/jo061385s","","","0.71075","MoKα","","","0.0217","","","","0.0322","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022067","11.175","0.0009","13.0823","0.001","16.1471","0.0012","78.82","0.003","71.278","0.003","85.826","0.003","2193.1","0.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","(9-BBN)25","","- C46 H68 B2 N4 O3 Si -","- C46 H68 B2 N4 O3 Si -","- C92 H136 B4 N8 O6 Si2 -","2","1","","Jayeeta Bhaumik; Zhen Yao; K. Eszter Borbas; Masahiko Taniguchi; Jonathan S. Lindsey","Masked Imidazolyl-Dipyrromethanes in the Synthesis of Imidazole-Substituted Porphyrins","Journal of Organic Chemistry","2006","71","","8807","8817","10.1021/jo061461r","","","0.71073","MolybdenumKα","","0.102","0.082","","0.096","","0.091","","","","","","2.01","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4022068","14.736","0.001","5.811","0.001","15.376","0.002","90","","113.68","0.01","90","","1205.8","0.3","568","2","568","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-6-(p-Toluenesulfinyl)-3H-pyrrolizine","","- C14 H13 N O S -","- C14 H13 N O S -","- C56 H52 N4 O4 S4 -","4","2","","Marian Mikołajczyk; Jerzy A. Krysiak; Wanda H. Midura; Michał W. Wieczorek; Ewa Róz̀ycka-Sokołowska","General Route to Racemic and Enantiomeric Carbo- and Heterocyclic Vinyl Sulfoxides via Tandem Michael Addition/Horner Olefination of α-Phosphorylvinyl Sulfoxides","Journal of Organic Chemistry","2006","71","","8818","8823","10.1021/jo061463b","","","1.5418","CuKα","","0.0506","0.0476","","","0.1279","0.1327","","","","","","1.06","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022069","21.6669","0.0015","9.9002","0.0007","29.684","0.002","90","","110.114","0.001","90","","5979","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 N2 O6 -","- C35 H32 N2 O6 -","- C280 H256 N16 O48 -","8","2","","Miguel A. Sierra; Daniel Pellico; Mar Gómez-Gallego; María José Mancheño; Rosario Torres","Synthesis of Highly Functionalized Macrocycles by the Peripheral Functionalization of Macrocyclic Diimines","Journal of Organic Chemistry","2006","71","","8787","8793","10.1021/jo0614689","","","0.71073","MoKα","","0.1407","0.0439","","","0.1063","0.1402","","","","","","0.892","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022070","20.785","0.0016","11.9521","0.0009","16.836","0.0012","90","","108.458","0.002","90","","3967.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Co2 N2 O12 -","- C42 H30 Co2 N2 O12 -","- C168 H120 Co8 N8 O48 -","4","1","","Miguel A. Sierra; Daniel Pellico; Mar Gómez-Gallego; María José Mancheño; Rosario Torres","Synthesis of Highly Functionalized Macrocycles by the Peripheral Functionalization of Macrocyclic Diimines","Journal of Organic Chemistry","2006","71","","8787","8793","10.1021/jo0614689","","","0.71073","MoKα","","0.1505","0.0462","","","0.0892","0.1172","","","","","","0.831","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022071","7.549","0.002","21.693","0.005","10.004","0.002","90","","95.96","0.01","90","","1629.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","2","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.0664","0.0493","","","0.1166","0.1272","","","","","","1.025","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022072","7.5969","0.0003","19.9937","0.0008","22.45","0.007","90","","90","","90","","3409.9","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O -","- C22 H21 N O -","- C176 H168 N8 O8 -","8","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.095","0.036","","","0.0623","0.072","","","","","","0.842","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022073","8.4972","0.0007","13.9255","0.0014","14.9265","0.0015","90","","98.785","0.004","90","","1745.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.0939","0.0461","","","0.0673","0.0731","","","","","","0.97","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022074","19.541","0.003","8.2533","0.0009","20.397","0.003","90","","90","","90","","3289.6","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H13 Cl2 N O -","- C19 H13 Cl2 N O -","- C152 H104 Cl16 N8 O8 -","8","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.058","0.055","","","0.1366","0.1392","","","","","","1.178","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022075","14.244","0.004","14.943","0.004","7.233","0.003","90","","90.25","0.03","90","","1539.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl2 N O -","- C19 H13 Cl2 N O -","- C76 H52 Cl8 N4 O4 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0988","0.0763","","","0.1653","0.177","","","","","","1.267","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022076","14.375","0.002","13.899","0.005","7.2983","0.0012","90","","90.609","0.013","90","","1458.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F2 N O -","- C19 H13 F2 N O -","- C76 H52 F8 N4 O4 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0597","0.0292","","","0.0569","0.0613","","","","","","0.861","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022077","7.952","0.004","22.9243","0.0013","8.4014","0.0005","90","","90.348","0.014","90","","1531.5","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0573","0.0395","","","0.1038","0.1081","","","","","","1.087","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022078","10.8284","0.0004","7.1857","0.0003","18.2382","0.0008","90","","92.07","0.004","90","","1418.18","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl2 O2 -","- C14 H18 Cl2 O2 -","- C56 H72 Cl8 O8 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0605","0.0364","","","0.0859","0.089","","","","","","0.863","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022079","14.5012","0.0004","16.6918","0.0004","12.0839","0.0003","90","","106.741","0.003","90","","2800.95","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl2 O2 -","- C14 H18 Cl2 O2 -","- C112 H144 Cl16 O16 -","8","2","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0628","0.0385","","","0.0885","0.0919","","","","","","0.883","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022080","11.539","0.002","5.6179","0.0011","11.803","0.002","90","","111.051","0.004","90","","714.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O -","- C16 H23 N O -","- C32 H46 N2 O2 -","2","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.1059","0.0517","","","0.059","0.0655","","","","","","0.893","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022081","9.258","0.001","28.609","0.002","10.689","0.001","90","","106.06","0.01","90","","2720.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","2","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","1.54178","CuKα","","0.0582","0.0445","","","0.1107","0.1204","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022082","11.637","0.002","8.227","0.001","17.298","0.004","90","","96.72","0.01","90","","1644.7","0.5","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.0995","0.0497","","","0.0984","0.112","","","","","","0.971","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022083","6.777","0.003","16.509","0.007","24.731","0.01","90","","90","","90","","2767","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 N O2 Se -","- C29 H41 N O2 Se -","- C116 H164 N4 O8 Se4 -","4","1","","Rafael Pedrosa; Celia Andrés; Pilar Mendiguchía; Javier Nieto","Diastereoselective Synthesis of Enantiopure Morpholines by Electrophilic Selenium-Induced 6-exo Cyclizations on Chiral 3-Allyl-2-hydroxymethylperhydro-1,3-benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","8854","8863","10.1021/jo061547k","","","0.71073","MoKα","","0.0435","0.0289","","","0.0566","0.0595","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022084","6.0619","0.0009","15.504","0.002","29.274","0.004","90","","90","","90","","2751.4","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N O2 Se -","- C30 H41 N O2 Se -","- C120 H164 N4 O8 Se4 -","4","1","","Rafael Pedrosa; Celia Andrés; Pilar Mendiguchía; Javier Nieto","Diastereoselective Synthesis of Enantiopure Morpholines by Electrophilic Selenium-Induced 6-exo Cyclizations on Chiral 3-Allyl-2-hydroxymethylperhydro-1,3-benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","8854","8863","10.1021/jo061547k","","","0.71073","MoKα","","0.0493","0.0361","","","0.0844","0.0911","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022085","7.525","0.002","8.893","0.003","11.94","0.003","98.191","0.005","103.853","0.005","114.504","0.004","678.9","0.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C34 H32 O6 -","2","1","","Vijay Nair; Manojkumar Poonoth; Sreekumar Vellalath; Eringathodi Suresh; Rajasekaran Thirumalai","An N-Heterocyclic Carbene-Catalyzed [8 + 3] Annulation of Tropone and Enals via Homoenolate","Journal of Organic Chemistry","2006","71","","8964","8965","10.1021/jo0615706","","","0.71073","MoKα","","0.0635","0.0519","","","0.1347","0.1507","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022086","12.0009","0.0018","7.0164","0.001","12.796","0.002","90","","114.245","0.012","90","","982.4","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 F2 N2 O6 -","- C20 H18 F2 N2 O6 -","- C40 H36 F4 N4 O12 -","2","1","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0406","0.0337","","","0.0834","0.0872","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022087","7.2562","0.0011","11.261","0.002","20.674","0.003","90","","90","","90","","1689.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F2 N6 O3 -","- C16 H16 F2 N6 O3 -","- C64 H64 F8 N24 O12 -","4","1","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0726","0.048","","","0.1008","0.1118","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022088","5.3533","0.0005","17.484","0.002","12.0785","0.0012","90","","100.109","0.008","90","","1113","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F2 N3 O3 -","- C10 H11 F2 N3 O3 -","- C40 H44 F8 N12 O12 -","4","2","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0615","0.053","","","0.1319","0.1376","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022089","9.2282","0.0016","10.0766","0.0018","13.599","0.002","98.625","0.003","94.892","0.003","115.068","0.003","1116.8","0.3","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Br Cl2 N2 O6 -","- C23 H21 Br Cl2 N2 O6 -","- C46 H42 Br2 Cl4 N4 O12 -","2","1","","Jae Hong Seo; Gerald D. Artman, III; Steven M. Weinreb","Synthetic Studies on Perophoramidine and the Communesins: Construction of the Vicinal Quaternary Stereocenters","Journal of Organic Chemistry","2006","71","","8891","8900","10.1021/jo061660a","","","0.71073","MoKα","","0.0305","0.0291","","","0.0819","0.0828","","","","","","1.054","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022090","8.6926","0.0015","10.0514","0.0017","14.349","0.002","81.199","0.003","73.995","0.003","71.852","0.003","1142.1","0.3","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl2 N2 O5 -","- C24 H26 Cl2 N2 O5 -","- C48 H52 Cl4 N4 O10 -","2","1","","Jae Hong Seo; Gerald D. Artman, III; Steven M. Weinreb","Synthetic Studies on Perophoramidine and the Communesins: Construction of the Vicinal Quaternary Stereocenters","Journal of Organic Chemistry","2006","71","","8891","8900","10.1021/jo061660a","","","0.71073","MoKα","","0.0526","0.0439","","","0.1173","0.1274","","","","","","1.056","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022091","21.4654","0.0004","17.0244","0.0003","21.6341","0.0005","90","","90","","90","","7905.9","0.3","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H44 F6 N6 O6 S2 Zn -","- C36 H44 F6 N6 O6 S2 Zn -","- C288 H352 F48 N48 O48 S16 Zn8 -","8","1","","Woosung Kim; Soon Mog So; Leonid Chagal; Alan J. Lough; B. Moon Kim; Jik Chin","Stereoselective Recognition of Vicinal Diamines with a Zn(II) Complex","Journal of Organic Chemistry","2006","71","","8966","8968","10.1021/jo0616815","","","0.71073","MoKα","","0.1071","0.0472","","","0.1041","0.1254","","","","","","1.014","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022092","6.9396","0.0004","6.9396","0.0004","50.665","0.005","90","","90","","90","","2439.9","0.3","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H30 Br2 N2 O3 -","- C26 H30 Br2 N2 O3 -","- C104 H120 Br8 N8 O12 -","4","0.5","","Sivaraman Dandapani; Ping Lan; Aaron B. Beeler; Scott Beischel; Athier Abbas; Bryan L. Roth; John A. Porco, Jr.; James S. Panek","Convergent Synthesis of Complex Diketopiperazines Derived from Pipecolic Acid Scaffolds and Parallel Screening against GPCR Targets","Journal of Organic Chemistry","2006","71","","8934","8945","10.1021/jo061758p","","","0.71073","MoKα","","0.0736","0.0674","","","0.1577","0.1607","","","","","","1.176","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022093","18.168","0.004","27.585","0.007","9.004","0.003","90","0","90","0","90","0","4512.6","0.000002","150","","","","","","","","","","Local laboratory","5","P n c a","-P 2a 2n","60","","","","- C22 H32 Cr O4 Si -","- C22 H27 Cr O4 Si -","- C176 H216 Cr8 O32 Si8 -","8","1","","Hajime Mori; Takafumi Matsuo; Yasunori Yoshioka; Shigeo Katsumura","Highly Activated Vinyl Hydrogen in a Significantly Twisted Styrene","Journal of Organic Chemistry","2006","71","","9004","9012","10.1021/jo061092z","","","1.5418","CuKa","","","0.062","","","0.067","","","","","6.063","6.063","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022094","8.2634","0.0017","13.768","0.003","23.321","0.005","90","","94.97","0.03","90","","2643.3","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl2 N7 O12 Zn -","- C19 H21 Cl2 N7 O12 Zn -","- C76 H84 Cl8 N28 O48 Zn4 -","4","1","","Mimoun Chadlaoui; Belén Abarca; Rafael Ballesteros; Carmen Ramírez de Arellano; Juan Aguilar; Ricardo Aucejo; Enrique García-España","Properties of a Triazolopyridine System as a Molecular Chemosensor for Metal Ions, Anions, and Amino Acids","Journal of Organic Chemistry","2006","71","","9030","9034","10.1021/jo061326e","","","0.71073","MoKα","","0.102","0.0463","","","0.0951","0.1122","","","","","","1.01","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022095","10.87","0.002","11.836","0.002","13.685","0.002","104.059","0.006","112.55","0.006","92.755","0.006","1557.6","0.5","150","2","150","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C31 H35 N3 O9 -","- C31 H35 N3 O9 -","- C62 H70 N6 O18 -","2","2","","Christopher J. Gabriel; Matthew P. DeMatteo; Noel M. Paul; Tomohisa Takaya; Terry L. Gustafson; Christopher M. Hadad; Jon R. Parquette","A New Class of Intramolecularly Hydrogen-Bonded Dendrons Based on a 2-Methoxyisophthalamide Repeat Unit","Journal of Organic Chemistry","2006","71","","9035","9044","10.1021/jo061351k","","x-ray","0.71073","MoKα","","0.0739","0.0544","","","0.1426","0.1549","","","","","","1.052","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022096","11.3922","0.0009","7.8682","0.0005","48.276","0.007","90","","95.37","0.01","90","","4308.3","0.8","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 O2 S16 -","- C34 H34 O2 S16 -","- C136 H136 O8 S64 -","4","1","","Giovanna Delogu; Davide Fabbri; Maria Antonietta Dettori; Marc Sallé; Franck Le Derf; María-Jesús Blesa; Magali Allain","Electroactive C~2~ Symmetry Receptors Based on the Biphenyl Scaffold and Tetrathiafulvalene Units","Journal of Organic Chemistry","2006","71","","9096","9103","10.1021/jo061446m","","x-ray","0.71073","MoKα","","","0.0913","","","","0.2572","","","","","","0.783","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022097","10.2841","0.0016","14.47","0.002","17.65","0.003","103.072","0.003","92.721","0.003","90.565","0.003","2554.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 N6 O12 S2 -","- C49.999 H54 N6 O12 S1.999 -","- C99.998 H108 N12 O24 S3.998 -","2","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.1561","0.0627","","","0.1351","0.1672","","","","","","0.881","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022098","10.6692","0.0017","16.623","0.003","17.567","0.003","79.277","0.003","73.795","0.003","75.746","0.003","2876.6","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H60 N6 O15 S2 -","- C52 H57 N6 O15 S2 -","- C104 H114 N12 O30 S4 -","2","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.1754","0.0928","","","0.2611","0.3113","","","","","","0.999","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022099","8.9698","0.0011","12.5206","0.0015","13.9081","0.0017","111.335","0.002","91.23","0.002","105.587","0.002","1389","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N3 O7 S -","- C25.996 H29 N3 O7 S0.999 -","- C51.992 H58 N6 O14 S1.998 -","2","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.119","0.0568","","","0.1352","0.1611","","","","","","1.015","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022100","18.185","0.004","13.451","0.003","11.78","0.002","90","","90","","90","","2881.6","1","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H26 N4 O6 S2 -","- C27.98 H26 N4 O6 S2 -","- C111.92 H104 N16 O24 S8 -","4","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.2683","0.0546","","","0.1052","0.1767","","","","","","0.833","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022101","10.494","0.004","6.123","0.002","10.705","0.004","90","","93.923","0.004","90","","686.3","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","Weibin Chen; Cynthia S. Day; S. Bruce King","Grignard Reagent-Mediated Conversion of an Acyl Nitroso-anthracene Cycloadduct to a Nitrone","Journal of Organic Chemistry","2006","71","","9221","9224","10.1021/jo0615192","","","0.71073","MoKα","","0.0724","0.0575","","","0.1097","0.116","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022102","8.506","0.008","11.707","0.011","14.351","0.013","93.279","0.019","96.129","0.019","92.54","0.02","1417","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 N2 O2 -","- C38 H34 N2 O2 -","- C76 H68 N4 O4 -","2","1","","Weibin Chen; Cynthia S. Day; S. Bruce King","Grignard Reagent-Mediated Conversion of an Acyl Nitroso-anthracene Cycloadduct to a Nitrone","Journal of Organic Chemistry","2006","71","","9221","9224","10.1021/jo0615192","","","0.71073","MoKα","","0.1931","0.0726","","","0.0928","0.121","","","","","","0.759","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022103","26.85","0.003","6.2772","0.0008","20.267","0.003","90","","118.876","0.002","90","","2991.1","0.6","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 O3 P -","- C15 H19 O3 P -","- C120 H152 O24 P8 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0543","0.0504","","","0.1436","0.146","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022104","12.9844","0.0015","6.202","0.0007","20.193","0.002","90","","107.142","0.002","90","","1553.9","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C64 H84 O12 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1119","0.0946","","","0.188","0.1952","","","","","","1.339","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022105","15.891","0.0017","10.2219","0.0011","12.2745","0.0013","90","","94.318","0.002","90","","1988.2","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O3 P -","- C21 H23 O3 P -","- C84 H92 O12 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0755","0.0554","","","0.1198","0.1335","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022106","11.123","0.003","14.73","0.004","27.784","0.007","90","","90","","90","","4552.2","1.9","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N2 O7 P -","- C22 H23 N2 O7 P -","- C176 H184 N16 O56 P8 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1202","0.0866","","","0.1879","0.2064","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022107","7.5521","0.0005","17.6566","0.001","10.9664","0.0007","90","","104.745","0.001","90","","1414.15","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 O3 P -","- C14 H19 O3 P -","- C56 H76 O12 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0531","0.0478","","","0.1188","0.1228","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022108","14.5201","0.0018","9.4279","0.0012","11.1618","0.0014","90","","111.105","0.002","90","","1425.5","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 O4 P -","- C14 H17 O4 P -","- C56 H68 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0979","0.056","","","0.1367","0.1524","","","","","","0.937","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022109","11.811","0.003","6.0445","0.0014","20.369","0.005","90","","90","","90","","1454.1","0.6","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 O4 P -","- C15 H19 O4 P -","- C60 H76 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.043","0.0398","","","0.0919","0.0936","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022110","8.253","0.003","9.57","0.003","18.751","0.006","90","","90","","90","","1481.1","0.9","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 O4 P -","- C15 H19 O4 P -","- C60 H76 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0497","0.0424","","","0.0904","0.0933","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022111","11.5766","0.0014","14.5541","0.0018","10.524","0.0013","90","","113.582","0.002","90","","1625.1","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 O4 P -","- C16 H21 O4 P -","- C64 H84 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0546","0.0446","","","0.1116","0.118","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022112","10.915","0.012","11.603","0.003","12.983","0.002","67.054","0.017","68.05","0.04","64.62","0.04","1325.1","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 O2 -","- C34 H32 O2 -","- C68 H64 O4 -","2","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1229","0.0522","","","0.0983","0.122","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022113","36.09","0.004","5.9889","0.0006","13.4654","0.0015","90","","93.935","0.002","90","","2903.6","0.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 O5 P -","- C15 H17 O5 P -","- C120 H136 O40 P8 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0833","0.0545","","","0.1132","0.1237","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022114","25.252","0.002","6.2471","0.0005","10.3606","0.0009","90","","90","","90","","1634.4","0.2","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H21 O5 P -","- C17 H21 O5 P -","- C68 H84 O20 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0786","0.0529","","","0.0751","0.081","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022115","8.4723","0.0018","16.42","0.004","17.215","0.004","90","","90","","90","","2394.8","0.9","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.2278","0.0695","","","0.0953","0.1311","","","","","","0.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022116","15.994","0.005","5.1441","0.0016","14.52","0.005","90","","102.455","0.005","90","","1166.5","0.6","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1214","0.066","","","0.19","0.2185","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022117","7.5109","0.0006","14.3359","0.0012","16.367","0.0014","90","","96.377","0.002","90","","1751.4","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0411","0.0344","","","0.094","0.1015","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022118","5.7638","0.0008","13.105","0.0018","13.6732","0.0019","111.439","0.002","97.422","0.002","91.257","0.002","950.6","0.2","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C38 H48 N4 O12 -","2","1","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0872","0.0712","","","0.1945","0.2102","","","","","","1.044","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022119","9.877","0.002","9.473","0.002","15.877","0.004","90","","90.741","0.004","90","","1485.5","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C52 H76 N12 O16 S4 -","4","2","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0503","0.0452","","","0.1164","0.1198","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022120","10.5061","0.001","10.8749","0.0011","13.0039","0.0013","107.192","0.002","102.821","0.002","100.207","0.002","1336.1","0.2","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N3 O7 S -","- C27 H29 N3 O7 S -","- C54 H58 N6 O14 S2 -","2","1","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0555","0.0387","","","0.0895","0.0992","","","","","","1.006","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022121","34.775","0.001","34.775","0.001","31.201","0.001","90","","90","","120","","32676.3","1.7","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C156 H174 Br6 N12 O24 -","- C156 H129 Br6 N12 O24 -","- C936 H774 Br36 N72 O144 -","6","1","","Ho Yong Lee; Dohyun Moon; Myoung Soo Lah; Jong-In Hong","Triangular Assembly Through Charged Hydrogen Bonds in Polar Solvent","Journal of Organic Chemistry","2006","71","","9225","9228","10.1021/jo061543f","","","0.82657","synchrotron","","0.1174","0.0778","","","0.2136","0.2354","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022122","8.8729","0.0011","19.734","0.002","21.236","0.003","90","","92.613","0.002","90","","3714.5","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br N O2 -","- C20 H20 Br N O2 -","- C160 H160 Br8 N8 O16 -","8","2","","Fides Benfatti; Giuliana Cardillo; Luca Gentilucci; Rossana Perciaccante; Alessandra Tolomelli; Alberico Catapano","Synthesis and Biological Evaluation of Azido- and Aziridino-hydroxyl-β-lactams through Stereo- and Regioselective Epoxide Ring Opening","Journal of Organic Chemistry","2006","71","","9229","9232","10.1021/jo0615652","","","0.71073","MoKα","","0.0906","0.0474","","","0.126","0.1657","","","","","","0.769","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022123","7.8188","0.0008","19.673","0.002","33.422","0.004","90","","90","","90","","5141","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Br N4 O3 -","- C27 H27 Br N4 O3 -","- C216 H216 Br8 N32 O24 -","8","2","","Saumen Hajra; Manishabrata Bhowmick; Debarshi Sinha","Highly Regio- and Stereoselective Asymmetric Bromoazidation of Chiral α,β-Unsaturated Carboxylic Acid Derivatives: Scope and Limitations","Journal of Organic Chemistry","2006","71","","9237","9240","10.1021/jo061593k","","","0.71073","MoKα","","0.1378","0.0479","","","0.1076","0.1322","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022124","9.3549","0.001","15.5649","0.0017","11.744","0.0013","90","","112.69","0.002","90","","1577.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Wang-Ge Shou; Yun-Yun Yang; Yan-Guang Wang","Cascade Approach to Substituted 6-Aryl-phenanthridines from Aromatic Aldehydes, Anilines, and Benzenediazonium-2-carboxylate","Journal of Organic Chemistry","2006","71","","9241","9243","10.1021/jo061648i","","","0.71073","MoKα","","0.064","0.0431","","","0.1024","0.1091","","","","","","0.868","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022125","12.4196","0.0003","11.3876","0.0003","16.0345","0.0004","90","","96.559","0.001","90","","2252.91","0.1","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 I N5 O4 -","- C21 H24 I N5 O4 -","- C84 H96 I4 N20 O16 -","4","1","","Mikkel F. Jacobsen; Martin M. Knudsen; Kurt V. Gothelf","Efficient N-Arylation and N-Alkenylation of the Five DNA/RNA Nucleobases","Journal of Organic Chemistry","2006","71","","9183","9190","10.1021/jo061694i","","x-ray","0.71073","MoKα","","0.034","0.0257","","","0.0603","0.0631","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022126","8.8227","0.0009","11.4224","0.0008","12.8723","0.0013","105.919","0.003","94.997","0.003","107.106","0.004","1172.26","0.19","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C22 H25 Cl F N5 O4 -","- C22 H25 Cl F N5 O4 -","- C44 H50 Cl2 F2 N10 O8 -","2","1","","Mikkel F. Jacobsen; Martin M. Knudsen; Kurt V. Gothelf","Efficient N-Arylation and N-Alkenylation of the Five DNA/RNA Nucleobases","Journal of Organic Chemistry","2006","71","","9183","9190","10.1021/jo061694i","","x-ray","0.71073","MoKα","","0.0968","0.0425","","","0.0577","0.0665","","","","","","0.757","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022127","16.219","0.004","5.434","0.002","16.399","0.005","90","","77.96","0.01","90","","1413.7","0.7","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Naoki Kise","Density Functional Theory Study of Electroreductive Hydrocoupling of α,β-Unsaturated Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","9203","9207","10.1021/jo061708k","","","0.7107","MoKα","","","0.045","","","","0.091","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022128","9.8452","0.0011","24.338","0.003","12.7573","0.0014","90","","90.164","0.003","90","","3056.8","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H40 Br2 Mn N4 -","- C30 H40 Br2 Mn N4 -","- C120 H160 Br8 Mn4 N16 -","4","2","","Xavier Sala; Anna M. Rodríguez; Montserrat Rodríguez; Isabel Romero; Teodor Parella; Alexander von Zelewsky; Antoni Llobet; Jordi Benet-Buchholz","New Synthetic Routes toward Enantiopure Nitrogen Donor Ligands","Journal of Organic Chemistry","2006","71","","9283","9290","10.1021/jo0612372","","","0.71073","MoKα","","0.0548","0.0484","","","0.1197","0.1239","","","","","","1.044","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022129","28.4738","0.0017","49.755","0.003","9.3187","0.0006","90","","90","","90","","13202","1.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H38 N2 O4 S2 -","- C38 H39 N2 O4 S2 -","- C608 H624 N32 O64 S32 -","16","1","","Sang Ick Lee; Soo Min Kim; Mi Ra Choi; Sun Young Kim; Young Keun Chung; Won-Sik Han; Sang Ook Kang","Au(I)-Catalyzed Cyclization of Enynes Bearing an Olefinic Cycle","Journal of Organic Chemistry","2006","71","","9366","9372","10.1021/jo061254r","","","0.71073","MoKα","","0.0994","0.0503","","","0.1077","0.1304","","","","","","1.008","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022130","13.5935","0.0004","9.6906","0.0006","19.9797","0.0012","90","","97.708","0.003","90","","2608.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O4 S2 -","- C27 H30 N2 O4 S2 -","- C108 H120 N8 O16 S8 -","4","1","","Sang Ick Lee; Soo Min Kim; Mi Ra Choi; Sun Young Kim; Young Keun Chung; Won-Sik Han; Sang Ook Kang","Au(I)-Catalyzed Cyclization of Enynes Bearing an Olefinic Cycle","Journal of Organic Chemistry","2006","71","","9366","9372","10.1021/jo061254r","","","0.71073","MoKα","","0.1211","0.0658","","","0.1686","0.2152","","","","","","1.142","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022131","8.3084","0.0002","9.5793","0.0002","35.8757","0.001","90","","90","","90","","2855.3","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 N2 O9 -","- C28 H38 N2 O9 -","- C112 H152 N8 O36 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0471","0.032","","","0.0653","0.0828","","","","","","1.176","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022132","6.084","0.0011","12.859","0.004","14.354","0.004","72.851","0.01","89.224","0.01","77.7","0.01","1047","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C48 H60 N4 O4 -","2","2","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0841","0.0521","","","0.105","0.1178","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022133","10.1031","0.0007","11.3618","0.0007","40.919","0.004","90","","90","","90","","4697.1","0.6","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C20 H38 N2 O4 -","- C20 H38 N2 O4 -","- C160 H304 N16 O32 -","8","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.219","0.0751","","","0.1474","0.2073","","","","","","1","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022134","17.8512","0.001","31.8301","0.001","20.5872","0.001","90","","108.161","0.005","90","","11115","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H127 Cl11 N8 Ni4 O17 -","- C99 H111 Cl11 N8 Ni4 O17 -","- C396 H444 Cl44 N32 Ni16 O68 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.1459","0.0768","","","0.2244","0.2625","","","","","","1.019","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022135","9.6765","0.0003","10.3148","0.0005","12.63","0.0005","74.201","0.001","83.154","0.001","75.354","0.001","1171.86","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C52 H68 N4 O8 -","2","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.1067","0.0478","","","0.0831","0.0983","","","","","","0.944","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022136","7.9954","0.0003","10.9216","0.0003","14.4612","0.0009","90","","90","","90","","1262.79","0.1","295","2","295","2","","","","","","","","4","P 21 a b","P -2b 2a","29","","","","- C11 H24 N2 O3 -","- C11 H24 N2 O3 -","- C44 H96 N8 O12 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0638","0.0399","","","0.0838","0.0927","","","","","","0.991","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022137","9.9162","0.0003","10.3086","0.0003","24.762","0.001","90","","90","","90","","2531.22","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 O4 S2 -","- C24 H34 N2 O4 S2 -","- C96 H136 N8 O16 S8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0818","0.0451","","","0.0732","0.0817","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022138","6.0048","0.0003","14.5084","0.001","25.355","0.002","90","","90","","90","","2209","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 N2 O2 -","- C24 H28 Cl2 N2 O2 -","- C96 H112 Cl8 N8 O8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0905","0.0495","","","0.0877","0.0992","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022139","9.9193","0.0002","10.3077","0.0002","24.8012","0.0008","90","","90","","90","","2535.8","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 O4 S2 -","- C24 H34 N2 O4 S2 -","- C96 H136 N8 O16 S8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0656","0.043","","","0.0807","0.0872","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022140","8.405","0.0002","29.088","0.001","10.4372","0.0004","90","","104.443","0.001","90","","2471.09","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N2 O4 S2 -","- C24 H34 N2 O4 S2 -","- C96 H136 N8 O16 S8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.1357","0.0549","","","0.09","0.1081","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022141","9.8","0.001","28.333","0.001","12.161","0.001","90","","98.82","0.01","90","","3336.7","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N2 O4 -","- C40 H42 N2 O4 -","- C160 H168 N8 O16 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.2167","0.0722","","","0.1319","0.1786","","","","","","1.001","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022142","30.002","0.002","7.3588","0.0004","6.2049","0.0004","90","","90.467","0.002","90","","1369.88","0.14","298","","","","","","","","","","Lahti Group","4","C 1 c 1","C -2yc","9","","1-(4-methoxyphenylaminoxyl)-4-(1H-pyrrol-1-yl)-benzene","","- C17 H15 N2 O2 -","- C17 H15 N2 O2 -","- C68 H60 N8 O8 -","4","1","","Zeynep Delen; Paul M. Lahti","Crystallography and Magnetism of Two 1-(4-Nitroxylphenyl)pyrroles","Journal of Organic Chemistry","2006","71","","9341","9347","10.1021/jo0616299","","","0.71073","MoKα","","0.0766","0.0608","","","0.1029","0.1089","","","","","","1.279","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022143","27.3232","0.0012","5.8054","0.0002","7.9936","0.0003","90","","90","","90","","1267.96","0.09","298","","","","","","","","","","zd3090","4","P n a 21","P 2c -2n","33","","","","- C14 H17 N2 O -","- C14 H17 N2 O -","- C56 H68 N8 O4 -","4","1","","Zeynep Delen; Paul M. Lahti","Crystallography and Magnetism of Two 1-(4-Nitroxylphenyl)pyrroles","Journal of Organic Chemistry","2006","71","","9341","9347","10.1021/jo0616299","","","0.71073","MoKα","","0.0613","0.0422","","","0.1022","0.114","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022144","8.134","0.006","9.116","0.008","12.165","0.011","95.2","0.08","106.5","0.05","113.31","0.08","772.9","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 K O8 -","- C30 H48 K O8 -","- C30 H48 K O8 -","1","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.2108","0.0625","","","0.0752","0.1048","","","","","","0.698","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022145","10.888","0.008","17.464","0.008","20.84","0.01","90","","99.63","0.06","90","","3907","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Crypt K] Naph * THF","","","- C36 H60 K N2 O8 -","- C36 H60 K N2 O8 -","- C144 H240 K4 N8 O32 -","4","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0862","0.0611","","","0.1901","0.2049","","","","","","0.997","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022146","6.7195","0.0013","6.808","0.0013","12.299","0.002","82.22","0.003","81.35","0.004","68.61","0.003","515.92","0.17","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C14 H16 -","- C14 H16 -","- C28 H32 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0541","0.0491","","","0.1438","0.1509","","","","","","1.056","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4022147","12.463","0.002","12.8","0.002","13.228","0.003","61.431","0.003","73.013","0.003","87.878","0.003","1759.2","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H56 K O8 -","- C34 H56 K O8 -","- C68 H112 K2 O16 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1488","0.0585","","","0.1166","0.1412","","","","","","0.836","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022148","11.5437","0.0016","12.6746","0.0017","14.955","0.002","104.157","0.002","92.621","0.002","116.839","0.002","1862","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H60 K N2 O7 -","- C36 H60 K N2 O7 -","- C72 H120 K2 N4 O14 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0732","0.0494","","","0.1163","0.1251","","","","","","0.936","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022149","6.7725","0.0003","9.8657","0.0005","10.2475","0.0005","85.979","0.001","73.065","0.001","72.593","0.001","624.9","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Cl6 Sb -","- C24 H24 Cl6 Sb -","- C24 H24 Cl6 Sb -","1","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0355","0.0308","","","0.0763","0.0782","","","","","","1.034","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022150","11.155","0.018","7.505","0.013","16.57","0.04","90","","90","","90","","1387","5","173","2","173","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C18 H24 -","- C18 H24 -","- C72 H96 -","4","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0802","0.0546","","","0.1415","0.153","","","","","","0.942","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022151","9.019","0.006","9.227","0.007","9.623","0.007","76.18","0.09","86.32","0.06","68.6","0.08","723.8","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","OMN-SbCl6, DCM solvate","Octamethylnaphtalenium hexachloroantimonate, dichloromethane solvate","","- C20 H28 Cl10 Sb -","- C20 H28 Cl10 Sb -","- C20 H28 Cl10 Sb -","1","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0299","0.0282","","","0.0758","0.0769","","","","","","0.996","","","","has coordinates,has disorder","277840","2022-09-14","18:34:00",""
"4022153","22.841","0.006","12.651","0.003","21.765","0.009","90","","109.32","0.03","90","","5935","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","18-Crown-6-bis(tetrahydrofurano)potassium 1,2,3,4,7,8,9,10-octahydro-1,1,4,4,7,7,10,10-octamethyltetracene tetrahydrofuran solvate","","- C58 H100 K O11 -","- C58 H100 K O11 -","- C232 H400 K4 O44 -","4","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1791","0.0707","","","0.1821","0.2176","","","","","","0.859","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022154","10.6938","0.0011","10.9607","0.0011","18.72","0.0018","90","","103.551","0.002","90","","2133.1","0.4","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Li2 -","- C50 H66 Li2 -","- C100 H132 Li4 -","2","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1562","0.0702","","","0.1558","0.194","","","","","","1.005","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022155","12.6202","0.0019","19.053","0.003","21.386","0.003","109.816","0.003","93.923","0.003","98.228","0.003","4750.3","1.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H147 Cs3 O6 -","- C99 H147 Cs3 O6 -","- C198 H294 Cs6 O12 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1678","0.0845","","","0.1965","0.2378","","","","","","1.042","","","","has coordinates,has disorder","277840","2022-09-14","18:34:00",""
"4022156","12.903","0.0004","10.468","0.0003","11.7384","0.0004","90","","112.684","0.001","90","","1462.84","0.08","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 -","- C18 H18 N4 -","- C72 H72 N16 -","4","1","","Takashi Mino; Yoshiaki Shirae; Takeshi Saito; Masami Sakamoto; Tsutomu Fujita","Palladium-Catalyzed Sonogashira and Hiyama Reactions Using Phosphine-Free Hydrazone Ligands","Journal of Organic Chemistry","2006","71","","9499","9502","10.1021/jo061734i","","","0.71073","MoKα","","0.0755","0.0513","","","0.1476","0.1686","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022157","17.3448","0.0002","22.291","0.0003","25.7311","0.0002","90","","92.7173","0.0008","90","","9937.3","0.19","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.375 H68.75 Cl0.75 I2 P4 Pt2 -","- C42.375 H68.75 Cl0.75 I2 P4 Pt2 -","- C339 H550 Cl6 I16 P32 Pt16 -","8","2","","Hai-Bo Yang; Koushik Ghosh; Atta M. Arif; Peter J. Stang","The Synthesis of New 60° Organometallic Subunits and Self-Assembly of Three-Dimensional M~3~L~2~ Trigonal-Bipyramidal Cages","Journal of Organic Chemistry","2006","71","","9464","9469","10.1021/jo061779j","","","0.71073","MoKα","","0.1191","0.0599","","","0.1348","0.1788","","","","","","1.034","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022158","42.007","0.0006","9.3291","0.0002","34.7621","0.0006","90","","109.387","0.0008","90","","12850.4","0.4","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59.5 H79 Cl3 I2 P4 Pt2 -","- C59.5 H79 Cl3 I2 P4 Pt2 -","- C476 H632 Cl24 I16 P32 Pt16 -","8","1","","Hai-Bo Yang; Koushik Ghosh; Atta M. Arif; Peter J. Stang","The Synthesis of New 60° Organometallic Subunits and Self-Assembly of Three-Dimensional M~3~L~2~ Trigonal-Bipyramidal Cages","Journal of Organic Chemistry","2006","71","","9464","9469","10.1021/jo061779j","","","0.71073","MoKα","","0.0872","0.0542","","","0.1286","0.1454","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022159","6.869","0.0001","25.5057","0.0004","14.813","0.0003","90","","95.628","0.001","90","","2582.71","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Br2 N4 O5 S2 -","- C24 H24 Br2 N4 O5 S2 -","- C96 H96 Br8 N16 O20 S8 -","4","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.065","0.0521","","","0.1215","0.1268","","","","","","1.148","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022160","10.6216","0.0002","13.0861","0.0003","13.6532","0.0003","90","","102.542","0.001","90","","1852.45","0.07","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br2 N3 O3 S -","- C17 H15 Br2 N3 O3 S -","- C68 H60 Br8 N12 O12 S4 -","4","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.065","0.0431","","","0.0971","0.1077","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022161","16.0467","0.0002","10.571","0.0001","22.3993","0.0002","90","","90","","90","","3799.59","0.07","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 Br2 N4 O5 -","- C16 H18 Br2 N4 O5 -","- C128 H144 Br16 N32 O40 -","8","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0375","0.0304","","","0.0665","0.0697","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022162","7.1999","0.0014","12.537","0.003","15.479","0.003","83.58","0.03","76.79","0.03","74.13","0.03","1306.7","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Br2 N4 O8 S -","- C21 H24 Br2 N4 O8 S -","- C42 H48 Br4 N8 O16 S2 -","2","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0898","0.0479","","","0.1182","0.1401","","","","","","1.061","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022163","24.4242","0.0003","12.9575","0.0002","15.6062","0.0002","90","","103.343","0.0006","90","","4805.67","0.11","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H26 N4 O8 S -","- C22 H26 N4 O8 S -","- C176 H208 N32 O64 S8 -","8","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0759","0.0435","","","0.1138","0.1288","","","","","","1.046","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022164","11.1469","0.0003","14.2301","0.0004","15.9794","0.0004","82.0773","0.0017","82.9329","0.0014","74.558","0.0016","2409.94","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Br2 N5 O3 -","- C22 H20 Br2 N5 O3 -","- C88 H80 Br8 N20 O12 -","4","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0904","0.0561","","","0.1479","0.1672","","","","","","1.031","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022165","11.293","0.0002","13.8479","0.0003","14.1887","0.0003","90","","108.204","0.0011","90","","2107.83","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Br2 N5 O3 -","- C20 H19 Br2 N5 O3 -","- C80 H76 Br8 N20 O12 -","4","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0402","0.0304","","","0.0737","0.0785","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022166","12.0512","0.0005","12.0512","0.0005","27.0746","0.0011","90","","90","","90","","3932.1","0.3","200","2","200","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H18 Br2 N4 O5 -","- C16 H18 Br2 N4 O5 -","- C128 H144 Br16 N32 O40 -","8","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0589","0.0399","","","0.0724","0.0793","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022167","13.2373","0.0002","13.4037","0.0002","17.8325","0.0004","72.9238","0.0008","80.5396","0.0009","62.3585","0.0013","2677.84","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H26 Br2 N4 O8.5 S -","- C21.5 H26 Br2 N4 O8.5 S -","- C86 H104 Br8 N16 O34 S4 -","4","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0807","0.0468","","","0.0983","0.1117","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022168","11.9442","0.0017","14.568","0.002","19.621","0.003","81.692","0.003","75.114","0.003","69.745","0.003","3089.6","0.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 F2 N3 O5 -","- C35 H35 F2 N3 O5 -","- C140 H140 F8 N12 O20 -","4","2","","Alexei Ilyin; Volodymyr Kysil; Mikhail Krasavin; Irina Kurashvili; Alexandre V. Ivachtchenko","Complexity-Enhancing Acid-Promoted Rearrangement of Tricyclic Products of Tandem Ugi 4CC/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2006","71","","9544","9547","10.1021/jo061825f","","","0.71073","MoKα","","0.119","0.0551","","","0.0921","0.1045","","","","","","1.026","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022169","12.3013","0.0017","25.064","0.004","30.495","0.004","90","","90","","90","","9402","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H56 N4 O11 -","- C53 H56 N4 O11 -","- C424 H448 N32 O88 -","8","1","","Alexei Ilyin; Volodymyr Kysil; Mikhail Krasavin; Irina Kurashvili; Alexandre V. Ivachtchenko","Complexity-Enhancing Acid-Promoted Rearrangement of Tricyclic Products of Tandem Ugi 4CC/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2006","71","","9544","9547","10.1021/jo061825f","","","0.71073","MoKα","","0.2863","0.0641","","","0.0746","0.0941","","","","","","0.801","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022170","17.871","0.004","5.2129","0.0011","30.632","0.006","90","","101.33","0.003","90","","2798.1","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 B O2 -","- C16 H17 B O2 -","- C128 H136 B8 O16 -","8","1","","Neola F. McKinley; Donal F. O'Shea","Carbolithiation of Diphenylacetylene as a Stereoselective Route to (Z)-Tamoxifen and Related Tetrasubstituted Olefins","Journal of Organic Chemistry","2006","71","","9552","9555","10.1021/jo061949s","","","0.71073","MoKα","","0.0878","0.0833","","","0.1949","0.1981","","","","","","1.144","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022171","9.7869","0.0004","11.2474","0.0004","10.5714","0.0004","90","","102.571","0.002","90","","1135.78","0.08","150","2","150","2","","","","","","","synthetised","6","P 1 21 1","P 2yb","4","","(S~Fc~,S~S~,S)-2-(N-tosyl-1-aminoethyl)-1-t-butylsulfinylferrocene","","- C23 H29 Fe N O3 S2 -","- C23 H29 Fe N O3 S2 -","- C46 H58 Fe2 N2 O6 S4 -","2","1","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0581","0.0351","","","0.0849","0.1029","","","","","","1.081","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022172","11.8067","0.0004","11.8067","0.0004","19.3721","0.0007","90","","90","","90","","2700.43","0.16","150","2","150","2","","","","","","","synthetised","6","P 41","P 4w","76","","(S~Fc~,S~S~)-2-(N-tosyl-1-amino-2-cyclohexyl)-1-tert-butylsulfinylferrocene","","- C28 H37 Fe N O3 S2 -","- C28 H37 Fe N O3 S2 -","- C112 H148 Fe4 N4 O12 S8 -","4","1","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0393","0.0271","","","0.0574","0.0616","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022173","16.2321","0.0003","17.8126","0.0004","18.5205","0.0004","90","","90","","90","","5354.94","0.19","150","2","150","2","","","","","","","synthetised","6","P 21 21 21","P 2ac 2ab","19","","(S~Fc~,S~S~)-2-(N-tosyl-1-amino-2,2-dimethylpropyl)-1-t-butylsulfinyl ferrocene","","- C26 H35 Fe N O3 S2 -","- C26 H35 Fe N O3 S2 -","- C208 H280 Fe8 N8 O24 S16 -","8","2","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0571","0.0349","","","0.0887","0.1121","","","","","","1.139","","","","has coordinates,has disorder","277840","2022-09-14","18:34:00",""
"4022174","17.7483","0.0014","19.5715","0.0016","22.6086","0.0018","90","","90","","90","","7853.3","1.1","150","2","150","2","","","","","","","synthetised","6","P 21 21 21","P 2ac 2ab","19","","(S~Fc~,S~S~,S)-2-(N-carbamoyl-1-amino-1-phenyl)-1-t-butylsulfinylferrocene","","- C26 H33 Fe N O3 S -","- C26 H33 Fe N O3 S -","- C312 H396 Fe12 N12 O36 S12 -","12","3","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0496","0.032","","","0.0717","0.0855","","","","","","1.08","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022175","21.979","0.002","22.02","0.002","26.603","0.003","107.85","0.01","94.8","0.01","119.6","0.01","10217.2","1.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5,11,17,23,29,35-hexa-tert-butyl-37,39,41- tris{4-(2-pyridyl)phenoxy}-38,40,42-trimethoxycalix[6]arene","","- C111.75 H134.5 Cl5.5 N3 O8 -","- C110.125 H131 Cl5.25 N3 O7.5 -","- C440.5 H524 Cl21 N12 O30 -","4","2","","Xianshun Zeng; Andrei S. Batsanov; Martin R. Bryce","Calix[6]arene Derivatives Selectively Functionalized at Alternate Sites on the Smaller Rim with 2-Phenylpyridine and 2-Fluorenylpyridine Substituents to Provide Deep Cavities","Journal of Organic Chemistry","2006","71","","9589","9594","10.1021/jo0614341","","","0.71073","MoKα","","0.187","0.1029","","","0.2869","0.3302","","","","","","1.033","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022176","10.775","0.003","6.0652","0.0019","28.906","0.009","90","","99.145","0.006","90","","1865","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br O3 Se -","- C19 H17 Br O3 Se -","- C76 H68 Br4 O12 Se4 -","4","1","","Guofei Chen; Chunling Fu; Shengming Ma","Electrophilic Interaction of 2,3-Allenoates with PhSeCl. An Unexpected Highly Stereoselective Synthesis of 3-Phenylseleno-4-oxo-2(E)-alkenoates","Journal of Organic Chemistry","2006","71","","9877","9879","10.1021/jo061680c","","","0.71073","MoKα","","0.1433","0.0548","","","0.1186","0.1364","","","","","","0.742","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022177","7.2861","0.0005","11.8334","0.0008","11.921","0.0008","77.142","0.001","81.955","0.001","73.952","0.001","959.62","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N2 O6 W -","- C20 H12 N2 O6 W -","- C40 H24 N4 O12 W2 -","2","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0674","0.0646","","","0.1609","0.1631","","","","","","1.021","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022178","8.2698","0.0008","14.1014","0.0014","14.9278","0.0014","90","","90","","90","","1740.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 Cr N2 O6 -","- C18 H10 Cr N2 O6 -","- C72 H40 Cr4 N8 O24 -","4","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0643","0.0442","","","0.0829","0.0886","","","","","","0.841","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022179","7.4595","0.001","11.6192","0.0016","23.142","0.003","90","","90","","90","","2005.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 O6 W -","- C21 H14 N2 O6 W -","- C84 H56 N8 O24 W4 -","4","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0632","0.0489","","","0.1032","0.1082","","","","","","0.936","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022180","9.1287","0.0015","9.5708","0.0015","10.035","0.0016","93.09","0.003","92.832","0.003","97.417","0.003","866.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cr N2 O6 -","- C18 H10 Cr N2 O6 -","- C36 H20 Cr2 N4 O12 -","2","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0603","0.045","","","0.0921","0.0981","","","","","","0.934","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022181","8.1744","0.001","11.2178","0.0013","12.2979","0.0015","89.906","0.002","75.338","0.002","86.599","0.002","1089","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","2","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0813","0.0474","","","0.0961","0.1088","","","","","","0.883","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022182","9.1659","0.0016","7.0239","0.0013","17.433","0.003","90","","103.287","0.003","90","","1092.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0804","0.0442","","","0.1023","0.1194","","","","","","0.903","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022183","3.926","0.002","12.465","0.007","14.678","0.008","107.643","0.009","94.523","0.012","92.228","0.01","681","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C36 H24 N4 O4 -","2","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.1366","0.0559","","","0.1176","0.1399","","","","","","0.84","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022184","33.917","0.004","8.8453","0.0011","20.024","0.002","90","","94.749","0.004","90","","5986.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H58 F8 N4 O5 Zn -","- C68 H26 F8 N4 O5 Zn -","- C272 H104 F32 N16 O20 Zn4 -","4","0.5","","Chao Liu; Dong-Mei Shen; Zhuo Zeng; Can-Cheng Guo; Qing-Yun Chen","C-F Bond Activation by Modified Sulfinatodehalogenation: Facile Synthesis and Properties of Novel Tetrafluorobenzoporphyrins by Direct Intramolecular Cyclization and Reductive Defluorinative Aromatization of Readily Available β-Perfluoroalkylated Porphyrins","Journal of Organic Chemistry","2006","71","","9772","9783","10.1021/jo061743r","","","0.71073","MoKα","","0.0908","0.0684","","","0.1882","0.2","","","","","","0.977","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022185","14.1116","0.0014","17.7254","0.0017","14.209","0.0015","90","","117.54","0.002","90","","3151.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C69 H38 Cl2 F16 N4 O2 Zn -","- C69 H38 Cl2 F16 N4 O2 Zn -","- C138 H76 Cl4 F32 N8 O4 Zn2 -","2","0.5","","Chao Liu; Dong-Mei Shen; Zhuo Zeng; Can-Cheng Guo; Qing-Yun Chen","C-F Bond Activation by Modified Sulfinatodehalogenation: Facile Synthesis and Properties of Novel Tetrafluorobenzoporphyrins by Direct Intramolecular Cyclization and Reductive Defluorinative Aromatization of Readily Available β-Perfluoroalkylated Porphyrins","Journal of Organic Chemistry","2006","71","","9772","9783","10.1021/jo061743r","","","0.71073","MoKα","","0.1268","0.0832","","","0.2445","0.2722","","","","","","1.006","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022186","18.1909","0.0009","19.4186","0.0016","22.3881","0.0016","100.282","0.004","111.204","0.004","108.068","0.004","6621.8","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C69 H98 O15 -","- C69 H98 O15 -","- C276 H392 O60 -","4","2","","Bernardo Masci; Daniela Persiani; Pierre Thuéry","Complexation of Quaternary Ammonium Ions by Tetraester Derivatives of [3.1.3.1]Homooxacalixarene in Mobile and in Fixed Conformation","Journal of Organic Chemistry","2006","71","","9784","9790","10.1021/jo0617621","","","0.71073","MoKα","","0.1538","0.0797","","","0.2018","0.2332","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022187","13.7593","0.0008","13.9522","0.0011","20.5857","0.0016","83.983","0.003","89.968","0.004","63.167","0.004","3502.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C73 H106 O15 -","- C73 H106 O15 -","- C146 H212 O30 -","2","1","","Bernardo Masci; Daniela Persiani; Pierre Thuéry","Complexation of Quaternary Ammonium Ions by Tetraester Derivatives of [3.1.3.1]Homooxacalixarene in Mobile and in Fixed Conformation","Journal of Organic Chemistry","2006","71","","9784","9790","10.1021/jo0617621","","","0.71073","MoKα","","0.1374","0.0817","","","0.1893","0.2273","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022188","5.241","0.004","7.604","0.006","24.455","0.018","90","","95.713","0.013","90","","969.8","1.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C36 H52 N4 O16 -","4","1","","Ahmad Basheer; Zvi Rappoport","Substituted 2-Methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and Substituted Imidazopyrimidinediones from Cl(CH~2~)~n~NCO and Cl(CH~2~)~n~NCS and Active Methylene Compound","Journal of Organic Chemistry","2006","71","","9743","9750","10.1021/jo061835g","","","0.71073","MoKα","","0.214","0.1329","","","0.4277","0.4489","","","","","","1.329","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022189","15.1567","0.001","5.702","0.0004","17.05","0.0011","90","","101.526","0.001","90","","1443.81","0.17","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F9 N O4 S -","- C10 H8 F9 N O4 S -","- C40 H32 F36 N4 O16 S4 -","4","1","","Ahmad Basheer; Zvi Rappoport","Substituted 2-Methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and Substituted Imidazopyrimidinediones from Cl(CH~2~)~n~NCO and Cl(CH~2~)~n~NCS and Active Methylene Compound","Journal of Organic Chemistry","2006","71","","9743","9750","10.1021/jo061835g","","","0.71073","MoKα","","0.1287","0.0608","","","0.1606","0.1846","","","","","","0.864","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022190","4.9308","0.0004","9.6974","0.0009","13.0845","0.0012","69.191","0.001","84.771","0.002","87.873","0.002","582.4","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl N4 O3 -","- C10 H13 Cl N4 O3 -","- C20 H26 Cl2 N8 O6 -","2","1","","Ahmad Basheer; Zvi Rappoport","Substituted 2-Methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and Substituted Imidazopyrimidinediones from Cl(CH~2~)~n~NCO and Cl(CH~2~)~n~NCS and Active Methylene Compound","Journal of Organic Chemistry","2006","71","","9743","9750","10.1021/jo061835g","","","0.71073","MoKα","","0.0705","0.0585","","","0.1552","0.1652","","","","","","1.024","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022191","8.8685","0.0003","9.8291","0.0003","13.5654","0.0005","97.767","0.001","107.642","0.001","101.452","0.001","1080.02","0.06","180","1","180","1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O6 -","- C25 H26 O6 -","- C50 H52 O12 -","2","1","","Eric Fillion; Aaron M. Dumas; Sylvia A. Hogg","Modular Synthesis of Tetrahydrofluorenones from 5-Alkylidene Meldrum's Acids","Journal of Organic Chemistry","2006","71","","9899","9902","10.1021/jo0618876","","","0.71073","MoKα","","0.0476","0.0424","","","0.0987","0.0997","","","","","","1.983","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022192","10.2853","0.0006","12.4634","0.0007","25.1743","0.0014","90","","90","","90","","3227.1","0.3","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O7 S2 -","- C25 H37 N O7 S2 -","- C100 H148 N4 O28 S8 -","4","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0674","0.0635","","","0.1627","0.1727","","","","","","1.036","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022193","7.0629","0.0003","13.3419","0.0005","31.0227","0.0011","90","","90","","90","","2923.3","0.2","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 N4 O9 S -","- C25 H38 N4 O9 S -","- C100 H152 N16 O36 S4 -","4","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0545","0.0459","","","0.1198","0.1276","","","","","","1.05","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022194","10.3388","0.0014","5.1216","0.0014","15.23","0.004","90","","94.85","0.02","90","","803.6","0.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C13 H20 N4 O8 -","- C13 H18 N4 O8 -","- C26 H36 N8 O16 -","2","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0721","0.0617","","","0.1752","0.1848","","","","","","1.072","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022195","7.3016","0.001","8.4264","0.0012","30.356","0.004","90","","90","","90","","1867.7","0.5","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-Dibromodihydroarnottin II","","","- C20 H14 Br2 O7 -","- C20 H14 Br2 O7 -","- C80 H56 Br8 O28 -","4","1","","Fujiko Konno; Tsutomu Ishikawa; Masatoshi Kawahata; Kentaro Yamaguchi","Concise Synthesis of Arnottin I and (-)-Arnottin II","Journal of Organic Chemistry","2006","71","","9818","9823","10.1021/jo061905j","","","0.71073","MoKα","","0.0693","0.0551","","","0.1428","0.1547","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022196","8.49","0.005","11.316","0.005","30.145","0.017","90","","90","","90","","2896","3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 F3 O3 -","- C13 H19 F3 O3 -","- C104 H152 F24 O24 -","8","2","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.0798","0.0605","","","0.1345","0.1452","","","","","","1.147","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022197","12.8271","0.0018","6.678","0.0007","15.6221","0.0018","90","","113.549","0.008","90","","1226.7","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H28 Cl2 F3 N O3 -","- C23 H28 Cl2 F3 N O3 -","- C46 H56 Cl4 F6 N2 O6 -","2","1","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.063","0.048","","","0.1138","0.1212","","","","","","1.101","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022198","12.7643","0.0015","14.9692","0.0017","22.258","0.003","90","","90","","90","","4253","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Cl6 P2 Pt -","- C46 H36 Cl6 P2 Pt -","- C184 H144 Cl24 P8 Pt4 -","4","1","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.0317","0.0267","","","0.054","0.0555","","","","","","1.103","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4029654","9.935","0.009","10.275","0.009","13.397","0.012","101.548","0.016","93.919","0.018","92.219","0.017","1335","2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 N4 O2 S -","- C27 H36 N4 O2 S -","- C54 H72 N8 O4 S2 -","2","1","","Ilyn, Alexey P.; Loseva, Marina V.; Vvedensky, Vladimir Y.; Putsykina, Elena B.; Tkachenko, Sergey E.; Kravchenko, Dmitri V.; Khvat, Alexandr V.; Krasavin, Mikhail Y.; Ivachtchenko, Alexandre V.","One-step assembly of carbamoyl-substituted heteroannelated [1,4]thiazepines.","The Journal of organic chemistry","2006","71","7","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.2527","0.0971","","","0.1596","0.2173","","","","","","0.985","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029655","14.027","0.006","14.923","0.005","22.626","0.01","90","","90","","90","","4736","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 N3 O3 S -","- C27 H25 N3 O3 S -","- C216 H200 N24 O24 S8 -","8","1","","Ilyn, Alexey P.; Loseva, Marina V.; Vvedensky, Vladimir Y.; Putsykina, Elena B.; Tkachenko, Sergey E.; Kravchenko, Dmitri V.; Khvat, Alexandr V.; Krasavin, Mikhail Y.; Ivachtchenko, Alexandre V.","One-step assembly of carbamoyl-substituted heteroannelated [1,4]thiazepines.","The Journal of organic chemistry","2006","71","7","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.1842","0.0544","","","0.0697","0.0855","","","","","","0.953","","","","has coordinates","178475","2020-10-21","18:00:00",""