# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-27T19:57:43+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 = 68 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
"4022281","9.906","0.005","10.969","0.006","11.67","0.006","107.17","0.01","93.02","0.01","101.54","0.01","1178.6","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(3H-indole)tris(pentafluorophenyl)boron","","- C26 H7 B F15 N -","- C26 H7 B F15 N -","- C52 H14 B2 F30 N2 -","2","1","","Simona Guidotti; Isabella Camurati; Francesca Focante; Luca Angellini; Gilberto Moscardi; Luigi Resconi; Rino Leardini; Daniele Nanni; Pierluigi Mercandelli; Angelo Sironi; Tiziana Beringhelli; Daniela Maggioni","Synthesis and Reactivity of (C~6~F~5~)~3~B-N-Heterocycle Complexes. 1. Generation of Highly Acidic sp^3^ Carbons in Pyrroles and Indoles","Journal of Organic Chemistry","2003","68","","5445","5465","10.1021/jo020647x","","","0.71073","MoKα","","","0.0366","","","0.09","","","","","1.039","1.039","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022282","12.058","0.005","18.061","0.008","14.683","0.007","90","","93.76","0.01","90","","3191","2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","triethylammonium 1H-indol-1-yltris(pentafluorophenyl)borate","","- C32 H22 B F15 N2 -","- C26 H6 B F15 N -","- C104 H24 B4 F60 N4 -","4","1","","Simona Guidotti; Isabella Camurati; Francesca Focante; Luca Angellini; Gilberto Moscardi; Luigi Resconi; Rino Leardini; Daniele Nanni; Pierluigi Mercandelli; Angelo Sironi; Tiziana Beringhelli; Daniela Maggioni","Synthesis and Reactivity of (C~6~F~5~)~3~B-N-Heterocycle Complexes. 1. Generation of Highly Acidic sp^3^ Carbons in Pyrroles and Indoles","Journal of Organic Chemistry","2003","68","","5445","5465","10.1021/jo020647x","","","0.71073","MoKα","","","0.0492","","","0.1235","","","","","1.107","1.107","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022283","13.586","0.001","10.882","0.001","16.261","0.002","90","","98.06","0.01","90","","2380.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,3-dihydro-1H-indole)tris(pentafluorophenyl)boron","","- C26 H9 B F15 N -","- C26 H9 B F15 N -","- C104 H36 B4 F60 N4 -","4","1","","Simona Guidotti; Isabella Camurati; Francesca Focante; Luca Angellini; Gilberto Moscardi; Luigi Resconi; Rino Leardini; Daniele Nanni; Pierluigi Mercandelli; Angelo Sironi; Tiziana Beringhelli; Daniela Maggioni","Synthesis and Reactivity of (C~6~F~5~)~3~B-N-Heterocycle Complexes. 1. Generation of Highly Acidic sp^3^ Carbons in Pyrroles and Indoles","Journal of Organic Chemistry","2003","68","","5445","5465","10.1021/jo020647x","","","0.71073","MoKα","","","0.0333","","","0.0861","","","","","1.047","1.047","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022284","12.2008","0.0007","9.3379","0.0007","22.958","0.001","90","","104.115","0.005","90","","2536.7","0.3","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 N2 O4 -","- C27 H35 N2 O4 -","- C108 H140 N8 O16 -","4","1","","Shin'ichi Nakatsuji; Hiroshi Ikemoto; Hiroki Akutsu; Jun-ichi Yamada; Akira Mori","Novel Radical Compounds Bearing Mesogenic Cores with Long Alkyl Substituents","Journal of Organic Chemistry","2003","68","","1708","1714","10.1021/jo0206972","","","1.5418","CuKα","","0.0674","0.067","","0.066","","0.066","","","3.567","","","3.57","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022285","5.7679","0.001","14.891","0.003","18.637","0.003","84.86","0.003","84.664","0.003","85.737","0.003","1583.9","0.4","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H47 N2 O4 -","- C34 H47 N2 O4 -","- C68 H94 N4 O8 -","2","1","","Shin'ichi Nakatsuji; Hiroshi Ikemoto; Hiroki Akutsu; Jun-ichi Yamada; Akira Mori","Novel Radical Compounds Bearing Mesogenic Cores with Long Alkyl Substituents","Journal of Organic Chemistry","2003","68","","1708","1714","10.1021/jo0206972","","","0.7107","MoKα","","0.1288","0.119","","0.1","","0.136","","","6.422","","","4.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022286","5.7703","0.0004","13.323","0.001","15.976","0.001","90","","90","","90","","1228.2","0.2","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O3 S2 -","- C10 H14 N2 O3 S2 -","- C40 H56 N8 O12 S8 -","4","1","","Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya","Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties","Journal of Organic Chemistry","2003","68","","331","338","10.1021/jo026026l","","","0.7107","MoKα","","","0.0542","","","","0.1155","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022287","4.7794","0.0004","12.872","0.002","39.978","0.003","90","","90","","90","","2459.5","0.4","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N4 O7 S4 -","- C22 H18 N4 O7 S4 -","- C88 H72 N16 O28 S16 -","4","1","","Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya","Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties","Journal of Organic Chemistry","2003","68","","331","338","10.1021/jo026026l","","","0.7107","MoKα","","","0.0632","","","","0.162","","","","","","1.113","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022288","5.632","0.006","9","0.01","36.57","0.03","90","","90","","90","","1854","3","103.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N3 O5 S -","- C20 H21 N3 O5 S -","- C80 H84 N12 O20 S4 -","4","1","","Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya","Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties","Journal of Organic Chemistry","2003","68","","331","338","10.1021/jo026026l","","","0.7107","MoKα","","","0.1086","","","","0.2433","","","","","","1.193","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022289","18.5019","0.0006","13.5227","0.0004","16.3779","0.0005","90","","101.675","0.002","90","","4012.9","0.2","93.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Au N O4 P2 -","- C46 H44 Au N O4 P2 -","- C184 H176 Au4 N4 O16 P8 -","4","0.5","","Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya","Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties","Journal of Organic Chemistry","2003","68","","331","338","10.1021/jo026026l","","","0.7107","MoKα","","","0.0236","","","","0.0487","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022290","9.009","0.002","12.086","0.002","9.979","0.002","90","","92.45","0.03","90","","1085.5","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H23 Fe O2 P -","- C28 H23 Fe O2 P -","- C56 H46 Fe2 O4 P2 -","2","1","","Jakob F. Jensen; Inger Søtofte; Henning O. Sørensen; Mogens Johannsen","Modular Approach to Novel Chiral Aryl-Ferrocenyl Phosphines by Suzuki Cross-Coupling","Journal of Organic Chemistry","2003","68","","1258","1265","10.1021/jo026250a","","","0.71073","MoKα","","0.0469","0.0392","","0.0935","0.0897","","","","1.043","1.057","1.057","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022291","23.6973","0.0017","19.9952","0.0015","20.2313","0.0015","90","","90","","90","","9586","1","220","2","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C83 H132 N32 O16 -","- C47 H48 N20 O4 -","- C188 H192 N80 O16 -","4","0.5","","Hélène Sauriat-Dorizon; Thierry Maris; James D. Wuest; Gary D. Enright","Molecular Tectonics. Construction of Porous Hydrogen-Bonded Networks from Bisketals of Pentaerythritol","Journal of Organic Chemistry","2003","68","","240","246","10.1021/jo026267t","","","0.7107","MoKα","","0.1831","0.0836","","","0.1886","0.2203","","","","","","0.969","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022292","7.8193","0.0005","11.7104","0.0008","12.2984","0.0008","90","","90","","90","","1126.13","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Peng-Fei Xu; Ta-Jung Lu","Selective Synthesis of Either Enantiomer of α-Amino Acids by Switching the Regiochemistry of the Tricyclic Iminolactones Prepared from a Single Chiral Source","Journal of Organic Chemistry","2003","68","","658","661","10.1021/jo026285a","","","0.71073","MoKα","","0.0382","0.0357","","","0.1198","0.1235","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022293","6.8762","0.0006","9.0279","0.0007","21.8378","0.0018","90","","90","","90","","1355.64","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","","Peng-Fei Xu; Ta-Jung Lu","Selective Synthesis of Either Enantiomer of α-Amino Acids by Switching the Regiochemistry of the Tricyclic Iminolactones Prepared from a Single Chiral Source","Journal of Organic Chemistry","2003","68","","658","661","10.1021/jo026285a","","","0.71073","MoKα","","0.0559","0.0477","","","0.1472","0.1544","","","","","","1.159","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022294","8.5662","0.0015","10.8187","0.0019","16.598","0.003","90","","90","","90","","1538.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Peng-Fei Xu; Ta-Jung Lu","Selective Synthesis of Either Enantiomer of α-Amino Acids by Switching the Regiochemistry of the Tricyclic Iminolactones Prepared from a Single Chiral Source","Journal of Organic Chemistry","2003","68","","658","661","10.1021/jo026285a","","","0.71073","MoKα","","0.0776","0.0523","","","0.1416","0.159","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022295","10.2666","0.0002","19.2594","0.0005","10.7649","0.0002","90","","102.115","0.001","90","","2081.12","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O S4 -","- C20 H22 N2 O S4 -","- C80 H88 N8 O4 S16 -","4","1","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.071","0.0408","","","0.0918","0.1027","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022296","12.9071","0.0005","6.4873","0.0002","19.0794","0.0008","90","","99.547","0.001","90","","1575.43","0.1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H21 N O2 S2 -","- C15 H21 N O2 S2 -","- C60 H84 N4 O8 S8 -","4","1","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.0623","0.0465","","","0.1076","0.1126","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022297","20.4174","0.0002","9.8001","0.0001","23.2325","0.0002","90","","103.32","","90","","4523.58","0.07","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 N O4 S2 -","- C20 H29 N O4 S2 -","- C160 H232 N8 O32 S16 -","8","2","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.0594","0.0406","","","0.1012","0.1081","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022298","9.4397","0.0001","11.8345","0.0002","15.6919","0.0003","90","","90","","90","","1753.01","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 S2 -","- C16 H23 N O2 S2 -","- C64 H92 N4 O8 S8 -","4","1","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.0413","0.0323","","","0.0646","0.0677","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022299","14.2187","0.0002","9.1639","0.0002","17.4445","0.0003","90","","112.308","0.001","90","","2102.88","0.07","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N O2 S2 -","- C20 H29 N O2 S2 -","- C80 H116 N4 O8 S8 -","4","1","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.0707","0.0415","","","0.0926","0.1023","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022300","7.408","0.002","10.275","0.005","10.768","0.003","68.44","0.03","84.42","0.02","69.68","0.03","714.4","0.5","153","2","153","2","","","","","","","see text","3","P -1","-P 1","2","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","","Thorsten Bach; Michael Kemmler; Eberhardt Herdtweck","Complete Control of Regioselectivity in the Intramolecular [2 + 2] Photocycloaddition of 2-Alkenyl-3(2H)-furanones by the Length of the Side Chain","Journal of Organic Chemistry","2003","68","","1994","1997","10.1021/jo0264372","","","0.71073","MoKα","","0.0429","0.036","","","0.0939","0.0989","","","","","","1.044","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022301","6.4238","0.0008","9.6564","0.0012","21.1332","0.0025","90","","97.376","0.002","90","","1300.06","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","2","","Pankaj D. Rege; Francis Johnson","Application of Vicarious Nucleophilic Substitution to the Total Synthesis of dl-Physostigmine","Journal of Organic Chemistry","2003","68","","6133","6139","10.1021/jo026438u","","","","","","","","","","","","","","","","","","","","","has coordinates","278040","2022-09-21","12:30:29",""
"4022302","7.8267","0.0002","33.6881","0.0007","6.5923","0.0001","90","","100.119","0.001","90","","1711.13","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure","A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence","Journal of Organic Chemistry","2003","68","","929","941","10.1021/jo026471g","","","1.54178","CuKα","","0.0532","0.0326","","","0.0603","0.0643","","","","","","1.013","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022303","9.1913","0.0002","9.2342","0.0001","14.238","0.0002","102.785","0.001","93.027","0.001","115.271","0.001","1050.73","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N O5 S -","- C22 H29 N O5 S -","- C44 H58 N2 O10 S2 -","2","1","","Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure","A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence","Journal of Organic Chemistry","2003","68","","929","941","10.1021/jo026471g","","","1.54178","CuKα","","0.0459","0.0411","","","0.1127","0.1149","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022304","18.615","0.002","7.5693","0.0008","28.852","0.003","90","","90","","90","","4065.3","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H58 N2 O10 S2 -","- C44 H58 N2 O10 S2 -","- C176 H232 N8 O40 S8 -","4","1","","Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure","A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence","Journal of Organic Chemistry","2003","68","","929","941","10.1021/jo026471g","","","0.71073","MoKα","","0.0721","0.0465","","","0.0966","0.1071","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022305","17.389","0.0004","10.3106","0.0002","10.3897","0.0002","90","","98.172","0.001","90","","1843.86","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure","A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence","Journal of Organic Chemistry","2003","68","","929","941","10.1021/jo026471g","","","1.54178","CuKα","","0.0622","0.0504","","","0.1351","0.1416","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022306","9.4474","0.0002","9.0088","0.0002","22.8671","0.0004","90","","94.112","0.001","90","","1941.2","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","1","","Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure","A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence","Journal of Organic Chemistry","2003","68","","929","941","10.1021/jo026471g","","","1.54178","CuKα","","0.0425","0.0372","","","0.1009","0.1038","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022307","7.734","0.005","6.724","0.01","16.962","0.007","90","","91.22","0.04","90","","881.9","1.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2S,5R)-menthyl[(1R,4S,5S)-2-oxo-3-oxabicyclo[3.2.0]hept-6-en-4-yl] methyl carbonate","","- C18 H26 O5 -","- C18 H26 O5 -","- C36 H52 O10 -","2","1","","Ramon Alibés; Pedro de March; Marta Figueredo; Josep Font; Xiaolin Fu; Marta Racamonde; Ángel Álvarez-Larena; Juan F. Piniella","Photochemical [2 + 2] Cycloaddition of Acetylene to Chiral 2(5H)-Furanones","Journal of Organic Chemistry","2003","68","","1283","1289","10.1021/jo0264731","","","0.71069","MoKα","","0.0342","0.0309","","","0.0914","0.0926","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022308","9.999","0.003","10.016","0.008","13.119","0.003","90","","90","","90","","1313.9","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,4S,5S)-5-methyl-4-pivaloyloxymethyl-3-oxabicyclo[3.2.0] hept-6-en-2-one","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Ramon Alibés; Pedro de March; Marta Figueredo; Josep Font; Xiaolin Fu; Marta Racamonde; Ángel Álvarez-Larena; Juan F. Piniella","Photochemical [2 + 2] Cycloaddition of Acetylene to Chiral 2(5H)-Furanones","Journal of Organic Chemistry","2003","68","","1283","1289","10.1021/jo0264731","","","0.71069","MoKα","","0.0428","0.0349","","","0.0971","0.0992","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022309","5.993","0.005","19.071","0.005","12.063","0.005","90","0.005","96.13","0.005","90","0.005","1370.8","1.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O8 -","- C27 H40 O8 -","- C54 H80 O16 -","2","1","","Élyse Bourque; Pierre Deslongchamps; Yves L. Dory","First Experimental and Theoretical Evidence of a Deactivating Enone Dienophile in the Transannular Diels-Alder Reaction","Journal of Organic Chemistry","2003","68","","2390","2397","10.1021/jo0265129","","","1.54184","CuKα","","0.1384","0.0816","","","0.2042","0.2542","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022310","15.8491","0.0011","9.845","0.017","17.9449","0.0012","90","","106.43","0.006","90","","2686","5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 O8 -","- C27 H40 O8 -","- C108 H160 O32 -","4","1","","Élyse Bourque; Pierre Deslongchamps; Yves L. Dory","First Experimental and Theoretical Evidence of a Deactivating Enone Dienophile in the Transannular Diels-Alder Reaction","Journal of Organic Chemistry","2003","68","","2390","2397","10.1021/jo0265129","","","1.54184","CuKα","","0.1288","0.1029","","","0.3085","0.3466","","","","","","1.391","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022311","13.676","0.005","16.9509","0.0016","13.899","0.003","90","","113.728","0.019","90","","2949.6","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 O9 -","- C29 H44 O9 -","- C116 H176 O36 -","4","1","","Élyse Bourque; Pierre Deslongchamps; Yves L. Dory","First Experimental and Theoretical Evidence of a Deactivating Enone Dienophile in the Transannular Diels-Alder Reaction","Journal of Organic Chemistry","2003","68","","2390","2397","10.1021/jo0265129","","","1.54184","CuKα","","0.099","0.0628","","","0.1642","0.1903","","","","","","1.085","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022312","12.442","0.001","12.661","0.001","8.621","0.006","90.118","0.006","99.075","0.005","94.22","0.003","1337.3","0.6","223.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 F6 N2 -","- C14 H10 F6 N2 -","- C56 H40 F24 N8 -","4","2","","Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng","Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement","Journal of Organic Chemistry","2003","68","","120","129","10.1021/jo0265333","","","","","","","4","","","4.4","","","","","1.58","1.58","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022313","9.357","0.003","12.235","0.004","6.691","0.002","99.86","0.02","109.11","0.02","85.38","0.02","712.9","0.4","221","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 F6 N2 -","- C14 H10 F6 N2 -","- C28 H20 F12 N4 -","2","1","","Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng","Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement","Journal of Organic Chemistry","2003","68","","120","129","10.1021/jo0265333","","","","","","","6.8","","","6.6","","","","","1.85","1.85","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022314","12.842","0.001","18.551","0.001","9.302","0.001","98.26","0.01","96.85","0.01","71.46","0.01","2072.79","","173.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 F6 N2 -","- C14 H10 F6 N2 -","- C84 H60 F36 N12 -","6","3","","Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng","Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement","Journal of Organic Chemistry","2003","68","","120","129","10.1021/jo0265333","","","","","","","3.65","","","3.88","","","","","1.9","1.9","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022315","14.592","0.001","14.909","0.001","11.28","0.001","90","0.01","90","0.01","90","0.01","2453.99","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C112 H80 N32 -","8","2","","Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng","Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement","Journal of Organic Chemistry","2003","68","","120","129","10.1021/jo0265333","","","","","","","4.77","","","5.09","","","","","2.49","2.49","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022316","7.36","0.001","8.0568","0.0007","22.125","0.004","90","","98.12","0.01","90","","1298.8","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N2 O5 -","- C28 H36 N2 O5 -","- C56 H72 N4 O10 -","2","1","","José M. Lassaletta; Juan Vázquez; Auxiliadora Prieto; Rosario Fernández; Gerhard Raabe; Dieter Enders","Asymmetric Synthesis of Succinic Semialdehyde Derivatives","Journal of Organic Chemistry","2003","68","","2698","2703","10.1021/jo026557+","","","1.54179","CuKα","","","0.063","","","","0.063","","","","","","1.479","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022317","6.3016","0.0003","8.7289","0.0004","10.1131","0.0005","104.554","0.002","105.514","0.002","96.646","0.003","508.73","0.04","173","1","173","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C13 H15 N O -","- C13 H15 N O -","- C26 H30 N2 O2 -","2","1","","Thorsten Bach; Benjamin Grosch; Thomas Strassner; Eberhardt Herdtweck","Enantioselective [6π]-Photocyclization Reaction of an Acrylanilide Mediated by a Chiral Host. Interplay between Enantioselective Ring Closure and Enantioselective Protonation","Journal of Organic Chemistry","2003","68","","1107","1116","10.1021/jo026602d","","","0.71073","MoKα","","0.0519","0.0425","","","0.1102","0.1167","","","","","","1.064","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022318","10.4558","0.0016","18.361","0.003","10.7947","0.0017","90","","98.457","0.003","90","","2049.8","0.6","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O4 S -","- C21 H29 N O4 S -","- C84 H116 N4 O16 S4 -","4","1","","Stefano Marcaccini; Daniel Miguel; Tomás Torroba; María García-Valverde","1,4-Thiazepines, 1,4-Benzothiazepin-5-ones, and 1,4-Benzothioxepin Orthoamides via Multicomponent Reactions of Isocyanides","Journal of Organic Chemistry","2003","68","","3315","3318","10.1021/jo026614z","","","0.71073","MoKα","","0.038","0.0333","","","0.0934","0.0981","","","","","","1.011","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022319","7.32","0.004","9.327","0.005","10.009","0.005","95.736","0.007","107.392","0.006","94.547","0.007","644.4","0.5","299.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O3 -","- C24 H32 N4 O6 -","- C48 H64 N8 O12 -","2","1","","Masami Sakamoto; Takeru Sano; Shohei Fujita; Masaru Ando; Kentaro Yamaguchi; Takashi Mino; Tsutomu Fujita","Regioselective Photocycloaddition of Pyridine Derivatives to Electron-Rich Alkenes","Journal of Organic Chemistry","2003","68","","1447","1450","10.1021/jo0266285","","","0.7107","MoKa","","","0.0799","","","","0.098","","","","","","1.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022320","10.184","0.001","11.459","0.001","11.709","0.001","90","","93.629","0.009","90","","1363.8","0.3","273.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C52 H72 N8 O12 -","4","1","","Masami Sakamoto; Takeru Sano; Shohei Fujita; Masaru Ando; Kentaro Yamaguchi; Takashi Mino; Tsutomu Fujita","Regioselective Photocycloaddition of Pyridine Derivatives to Electron-Rich Alkenes","Journal of Organic Chemistry","2003","68","","1447","1450","10.1021/jo0266285","","","1.5418","CuKa","","","0","","","","0.081","","","","","","6.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022321","16.736","0.013","20.479","0.015","20.138","0.014","90","","99.53","0.02","90","","6807","9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzaldehyde hemicarceplex","","","- C163 H152 N2 O29 -","- C163 H152 N2 O29 -","- C326 H304 N4 O58 -","2","0.5","","Ralf Warmuth; Emily F. Maverick; Carolyn B. Knobler; Donald J. Cram","Through-Shell Alkyllithium Additions and Borane Reductions","Journal of Organic Chemistry","2003","68","","2077","2088","10.1021/jo026649z","","","1.5418","CuKα","","0.3532","0.2045","","","0.5164","0.5872","","","","","","1.73","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022322","16.65","0.011","20.442","0.014","20.043","0.013","90","","98.998","0.016","90","","6738","8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzocyclobutenone hemicarceplex","","","- C164 H152 N2 O29 -","- C164 H152 N2 O29 -","- C328 H304 N4 O58 -","2","0.5","","Ralf Warmuth; Emily F. Maverick; Carolyn B. Knobler; Donald J. Cram","Through-Shell Alkyllithium Additions and Borane Reductions","Journal of Organic Chemistry","2003","68","","2077","2088","10.1021/jo026649z","","","1.5418","CuKα","","0.2832","0.1718","","","0.456","0.5219","","","","","","1.668","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022323","16.72","0.007","20.559","0.008","20.168","0.008","90","","98.524","0.012","90","","6856","5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzocyclobutenedione hemicarceplex","","","- C164 H150 N2 O30 -","- C164 H150 N2 O30 -","- C328 H300 N4 O60 -","2","0.5","","Ralf Warmuth; Emily F. Maverick; Carolyn B. Knobler; Donald J. Cram","Through-Shell Alkyllithium Additions and Borane Reductions","Journal of Organic Chemistry","2003","68","","2077","2088","10.1021/jo026649z","","","1.5418","CuKα","","0.2711","0.157","","","0.4327","0.4953","","","","","","1.536","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022326","12.774","0.003","21.13","0.005","7.766","0.003","90","","90","","90","","2096","1","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Masami Sakamoto; Takuya Iwamoto; Naoyuki Nono; Masaru Ando; Wataru Arai; Takashi Mino; Tsutomu Fujita","Memory of Chirality Generated by Spontaneous Crystallization and Asymmetric Synthesis Using the Frozen Chirality","Journal of Organic Chemistry","2003","68","","942","946","10.1021/jo0266689","","","1.54178","CuKα","","0.083","0.057","","0.073","0.073","0.073","","","2.605","2.534","2.534","2.534","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022327","20.336","0.004","11.966","0.002","8.443","0.002","90","","98.32","0.02","90","","2032.7","0.7","298","","","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Masami Sakamoto; Takuya Iwamoto; Naoyuki Nono; Masaru Ando; Wataru Arai; Takashi Mino; Tsutomu Fujita","Memory of Chirality Generated by Spontaneous Crystallization and Asymmetric Synthesis Using the Frozen Chirality","Journal of Organic Chemistry","2003","68","","942","946","10.1021/jo0266689","","","1.54178","CuKα","","0.105","0.056","","0.12","0.12","0.12","","","2.792","2.607","2.607","2.607","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022328","9.031","0.003","10.123","0.003","21.928","0.006","90","","95.28","0.03","90","","1996","1","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C88 H108 N4 O8 -","4","1","","Masami Sakamoto; Takuya Iwamoto; Naoyuki Nono; Masaru Ando; Wataru Arai; Takashi Mino; Tsutomu Fujita","Memory of Chirality Generated by Spontaneous Crystallization and Asymmetric Synthesis Using the Frozen Chirality","Journal of Organic Chemistry","2003","68","","942","946","10.1021/jo0266689","","","1.54178","CuKα","","0.135","0.047","","0.048","0.048","0.048","","","2.518","2.037","2.037","2.037","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022329","8.0424","0.0001","6.0887","0.0001","13.8157","0.0002","90","","90.659","0.001","90","","676.479","0.017","100","","100","","","","","","","","see paper","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C32 H32 O10 -","2","1","","Alois Fürstner; Anne-Sophie Castanet; Karin Radkowski; Christian W. Lehmann","Total Synthesis of (S)-(+)-Citreofuran by Ring Closing Alkyne Metathesis","Journal of Organic Chemistry","2003","68","","1521","1528","10.1021/jo026686q","","","0.71073","MoKα","","0.0617","0.0486","","","0.1125","0.1195","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022330","6.3172","0.0006","13.184","0.002","16.313","0.001","90","","90","","90","","1358.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,1'S,2R,2'R,4S,4'S,5R,5'R)-4,4'-bis[2-methyl-3,6-dioxabicyclo[3.2.1] octan-7-one]","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Pedro de March; Marta Figueredo; Josep Font; Javier Raya; Ángel Álvarez-Larena; Juan F. Piniella","C2-Symmetric Enantiopure Ethanotethered Bis(α,β-butenolides) as Templates for Asymmetric Synthesis. Application to the Synthesis of (+)-Grandisol","Journal of Organic Chemistry","2003","68","","2437","2447","10.1021/jo026705w","","","0.71069","MoKα","","0.0548","0.0477","","","0.1578","0.1616","","","","","","1.193","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022331","7.483","0.002","11.221","0.003","25.339","0.005","90","","90","","90","","2127.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)-3a,5,6,6a-tetrahydrospiro [cyclopenta[b]furo-4(5H),2'(5'H)-furan]-2(3H),5'-dione","","- C16 H26 O6 Si2 -","- C16 H26 O6 Si2 -","- C64 H104 O24 Si8 -","4","1","","Pedro de March; Marta Figueredo; Josep Font; Javier Raya; Ángel Álvarez-Larena; Juan F. Piniella","C2-Symmetric Enantiopure Ethanotethered Bis(α,β-butenolides) as Templates for Asymmetric Synthesis. Application to the Synthesis of (+)-Grandisol","Journal of Organic Chemistry","2003","68","","2437","2447","10.1021/jo026705w","single crystal","","0.71069","MoKα","","0.12","0.1037","","","0.2433","0.2496","","","","","","1.131","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022332","15.6985","0.0002","17.2437","0.0002","27.4997","0.0005","90","","92.4291","0.0005","90","","7437.49","0.19","150","","150","","","","","","","","Synthesised as described.","4","P 1 21/a 1","-P 2yab","14","","","","- C72 H117 N3 Si4 -","- C72 H117 N3 Si4 -","- C288 H468 N12 Si16 -","4","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.2101","0.1731","","0.1239","0.1156","0.1045","","","","","","1.2502","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022333","14.8345","0.0002","30.4586","0.0003","34.0301","0.0005","90","","90","","90","","15376.1","0.3","150","","150","","","","","","","","Synthesised as described.","6","P c a b","-P 2bc 2ac","61","","","","- C72 H116 Cl N3 Si4 Zn -","- C72 H116 Cl N3 Si4 Zn -","- C576 H928 Cl8 N24 Si32 Zn8 -","8","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.1985","0.1229","","0.1861","0.1202","0.1178","","","","","","1.0539","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022334","15.287","0.0007","15.617","0.0009","19.032","0.0011","107.214","0.003","106.306","0.003","92.789","0.003","4122.3","0.4","150","","150","","","","","","","","Synthesised as described.","6","P -1","-P 1","2","","","","- C81 H130 Cl2 N4 O Si4 -","- C81 H130 Cl2 N4 O Si4 -","- C162 H260 Cl4 N8 O2 Si8 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.1137","0.0943","","0.0956","0.09","0.0897","","","","","","1.0154","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022335","15.403","0.0003","17.2992","0.0004","18.1735","0.0005","77.4494","0.0011","87.2644","0.0012","65.4764","0.0018","4295.47","0.19","150","","150","","","","","","","","Synthesised as described.","6","P -1","-P 1","2","","","","- C85.5 H136 N4 O2 Si4 Zn -","- C85.5 H136 N4 O2 Si4 Zn -","- C171 H272 N8 O4 Si8 Zn2 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.1475","0.0927","","0.1295","0.104","0.1037","","","","","","1.0371","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022336","14.2769","0.0002","17.7899","0.0002","27.249","0.0004","73.7478","0.0005","74.938","0.0005","71.4691","0.0005","6187.72","0.15","150","","150","","","","","","","","Synthesised as described.","6","P -1","-P 1","2","","","","- C121 H196 Cl2 N6 O2 Si6 -","- C121 H196.334 Cl2 N6 O2.167 Si6 -","- C242 H392.668 Cl4 N12 O4.334 Si12 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.16","0.0803","","0.1325","0.0918","0.0915","","","","","","1.1263","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022337","18.0634","0.0005","18.7545","0.0005","19.468","0.0006","86.4113","0.0009","88.034","0.001","86.7733","0.0013","6568.7","0.3","150","","150","","","","","","","","Synthesised as described.","4","P -1","-P 1","2","","","","- C134 H206 N6 Si6 -","- C134 H204.5 N6 Si6 -","- C268 H409 N12 Si12 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.1834","0.1204","","0.1325","0.1199","0.1194","","","","","","1.1373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022338","15.4377","0.0002","17.0745","0.0002","18.5033","0.0002","77.8713","0.0005","89.7279","0.0006","63.8827","0.0007","4260.11","0.09","150","","150","","","","","","","","Synthesised as described.","6","P -1","-P 1","2","","","","- C82 H126 Cl4 N4 Ni Si4 -","- C81.852 H125.851 Cl3.592 N4 Ni Si4 -","- C163.704 H251.701 Cl7.184 N8 Ni2 Si8 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.099","0.0506","","0.1148","0.0599","0.0598","","","","","","1.0496","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022339","15.2923","0.0003","15.6848","0.0004","18.9901","0.0004","107.073","0.0015","106.186","0.0011","93.165","0.001","4134.71","0.17","150","","150","","","","","","","","Synthesised as described.","7","P -1","-P 1","2","","","","- C81 H128 Cl2 N4 O Pt Si4 -","- C81 H128 Cl2 N4 O Pt Si4 -","- C162 H256 Cl4 N8 O2 Pt2 Si8 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.0886","0.064","","0.078","0.0728","0.0728","","","","","","1.0091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022340","18.0619","0.0002","22.7317","0.0003","29.3777","0.0004","90","","90","","90","","12061.8","0.3","150","","150","","","","","","","","Synthesised as described.","6","P b c a","-P 2ac 2ab","61","","","","- C60 H93 N3 Ni O2 Si3 -","- C60 H93 N3 Ni O2 Si3 -","- C480 H744 N24 Ni8 O16 Si24 -","8","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","","0.0451","","","","0.0476","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022341","17.465","0.003","11.036","0.002","9.447","0.002","90","0","97.84","0.05","90","0","1803.8","0.6","22","","22","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 F3 N S -","- C22 H12 F3 N S -","- C88 H48 F12 N4 S4 -","4","1","","Luisa Benati; Gianluca Calestani; Rino Leardini; Matteo Minozzi; Daniele Nanni; Piero Spagnolo; Samantha Strazzari; Giuseppe Zanardi","Cascade Radical Reactions via α-(Arylsulfanyl)imidoyl Radicals: Competitive [4 + 2] and [4 + 1] Radical Annulations of Alkynyl Isothiocyanates with Aryl Radicals","Journal of Organic Chemistry","2003","68","","3454","3464","10.1021/jo0267504","","","1.54178","CuKα","","0.1162","0.0693","","0.2311","0.2016","","","","0.898","1.219","1.219","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022342","11.347","0.002","7.126","0.002","21.266","0.003","90","0","90","0","90","0","1719.5","0.6","22","","22","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H12 F3 N S -","- C13 H8 F2.5 N0.5 S0.5 -","- C52 H32 F10 N2 S2 -","4","0.5","","Luisa Benati; Gianluca Calestani; Rino Leardini; Matteo Minozzi; Daniele Nanni; Piero Spagnolo; Samantha Strazzari; Giuseppe Zanardi","Cascade Radical Reactions via α-(Arylsulfanyl)imidoyl Radicals: Competitive [4 + 2] and [4 + 1] Radical Annulations of Alkynyl Isothiocyanates with Aryl Radicals","Journal of Organic Chemistry","2003","68","","3454","3464","10.1021/jo0267504","","","0.71069","MoKα","","0.1545","0.0517","","0.1421","0.1138","","","","0.855","1.159","1.159","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022343","10.708","0.003","17.02","0.004","9.897","0.002","90","0","114.51","0.05","90","0","1641.2","1","22","","22","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Cl N S -","- C21 H12 Cl N S -","- C84 H48 Cl4 N4 S4 -","4","1","","Luisa Benati; Gianluca Calestani; Rino Leardini; Matteo Minozzi; Daniele Nanni; Piero Spagnolo; Samantha Strazzari; Giuseppe Zanardi","Cascade Radical Reactions via α-(Arylsulfanyl)imidoyl Radicals: Competitive [4 + 2] and [4 + 1] Radical Annulations of Alkynyl Isothiocyanates with Aryl Radicals","Journal of Organic Chemistry","2003","68","","3454","3464","10.1021/jo0267504","","","1.54178","CuKα","","0.2171","0.0415","","0.2738","0.0672","","","","0.722","0.99","0.99","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022344","6.976","0.001","21.822","0.004","10.444","0.002","90","0","92.7","0.06","90","0","1588.1","0.5","22","","22","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H12 Cl N S -","- C21 H12 Cl N S -","- C84 H48 Cl4 N4 S4 -","4","1","","Luisa Benati; Gianluca Calestani; Rino Leardini; Matteo Minozzi; Daniele Nanni; Piero Spagnolo; Samantha Strazzari; Giuseppe Zanardi","Cascade Radical Reactions via α-(Arylsulfanyl)imidoyl Radicals: Competitive [4 + 2] and [4 + 1] Radical Annulations of Alkynyl Isothiocyanates with Aryl Radicals","Journal of Organic Chemistry","2003","68","","3454","3464","10.1021/jo0267504","","","1.54178","CuKα","","0.1311","0.0882","","0.3317","0.2502","","","","1.035","1.164","1.164","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022345","10.788","0.002","9.72","0.002","9.567","0.001","113.26","0.03","105.57","0.04","102.19","0.03","828.9","0.5","22","","22","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N O S -","- C22 H15 N O S -","- C44 H30 N2 O2 S2 -","2","1","","Luisa Benati; Gianluca Calestani; Rino Leardini; Matteo Minozzi; Daniele Nanni; Piero Spagnolo; Samantha Strazzari; Giuseppe Zanardi","Cascade Radical Reactions via α-(Arylsulfanyl)imidoyl Radicals: Competitive [4 + 2] and [4 + 1] Radical Annulations of Alkynyl Isothiocyanates with Aryl Radicals","Journal of Organic Chemistry","2003","68","","3454","3464","10.1021/jo0267504","","","1.54178","CuKα","","0.1074","0.0747","","0.2366","0.2045","","","","1.067","1.181","1.181","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022346","13.8549","0.0002","6.3197","0.0001","16.6171","0.0004","90","","96.118","0.001","90","","1446.69","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","1-N-ethyl-2-phenylthiocarbamoyl-2-methyl-piperazin-3-one","","- C14 H19 N3 O S -","- C14 H19 N3 O S -","- C56 H76 N12 O4 S4 -","4","1","","Barbara Zaleska; Robert Socha; Marcin Karelus; Edward Szneler; Jacek Grochowski; Paweł Serda","Synthesis of 1,4-Diazines by Ring Expansion of 1,3-Diazines","Journal of Organic Chemistry","2003","68","","2334","2337","10.1021/jo026756t","","","0.71073","MoKα","","0.0589","0.0441","","","0.1163","0.1272","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022347","9.47","0.0002","9.719","0.0002","12.969","0.0003","71.233","0.001","75.719","0.001","68.799","0.001","1042.15","0.04","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","S-(3-cyclohexenyl)-2-phenylthiocarbamoyl-2-methyl-trans-perhydroquinoxalin-3-one","","- C22 H29 N3 O S -","- C22 H29 N3 O S -","- C44 H58 N6 O2 S2 -","2","1","","Barbara Zaleska; Robert Socha; Marcin Karelus; Edward Szneler; Jacek Grochowski; Paweł Serda","Synthesis of 1,4-Diazines by Ring Expansion of 1,3-Diazines","Journal of Organic Chemistry","2003","68","","2334","2337","10.1021/jo026756t","","","0.7107","MoKα","","0.0733","0.0455","","","0.1026","0.1152","","","","","","1.037","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022348","11.099","0.001","15.508","0.002","16.21","0.002","91.344","0.004","100.149","0.004","92.319","0.004","2743","1","120","","120","","","","","","","","","5","P 1","P 1","1","","(2S,3R) Ethyl 2-( (diphenylmethylene)amino)-3-phenyl-3- (p-toluensulphonylamino) propanoate","","- C31 H30 N2 O4 S -","- C31 H30 N2 O4 S -","- C124 H120 N8 O16 S4 -","4","4","","Luca Bernardi; Aase S. Gothelf; Rita G. Hazell; Karl Anker Jørgensen","Catalytic Asymmetric Mannich Reactions of Glycine Derivatives with Imines. A New Approach to Optically Active α,β-Diamino Acid Derivatives","Journal of Organic Chemistry","2003","68","","2583","2591","10.1021/jo026766u","","","0.71073","MoKα","","","0.071","","","","0.107","","","","","","2.13","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022349","22.1299","0.0013","8.6449","0.0007","17.6928","0.001","90","","121.222","0.005","90","","2894.6","0.4","173","","173","1","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 N5 -","- C37 H29 N5 -","- C148 H116 N20 -","4","0.5","","Valery N. Kozhevnikov; Dmitry N. Kozhevnikov; Tatiana V. Nikitina; Vladimir L. Rusinov; Oleg N. Chupakhin; Manfred Zabel; Burkhard König","A Versatile Strategy for the Synthesis of Functionalized 2,2'-Bi- and 2,2':6',2' '-Terpyridines via Their 1,2,4-Triazine Analogues","Journal of Organic Chemistry","2003","68","","2882","2888","10.1021/jo0267955","","","0.71073","MoKα","","0.0586","0.0385","","","0.0907","0.0973","","","","","","0.909","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022350","21.617","0.001","15.6187","0.0009","20.908","0.002","90","","100.26","0.009","90","","6946.4","0.8","223.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 Cl2 O4 S4 -","- C70.4 H74 Cl3.2 O4 S4 -","- C281.6 H296 Cl12.8 O16 S16 -","4","0.5","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0539","","","","0.0642","","","","","","1.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022351","15.8724","0.0006","15.8724","0.0006","12.5804","0.0009","90","","90","","90","","3169.4","0.3","150.2","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C70 H77 N O9 S4 -","- C70 H64 N O8.5 S4 -","- C140 H128 N2 O17 S8 -","2","0.25","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0618","","","","0.073","","","","","","1.555","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022352","13.6278","0.0007","14.325","0.001","18.048","0.001","84.004","0.003","78.644","0.003","68.0693","0.0009","3202.7","0.4","223.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H73 Cl3 O6 S4 -","- C69 H72 Cl3 O6 S4 -","- C138 H144 Cl6 O12 S8 -","2","1","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0626","","","","0.0672","","","","","","2.209","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022353","19.65","0.002","13.89","0.0006","33.63","0.0006","90","","91.58","0.0003","90","","9175.4","0.8","230.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H62 O10 S4 -","- C44.5 H60.3 O8.8 S4 -","- C356 H482.4 O70.4 S32 -","8","1","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0454","","","","0.0496","","","","","","1.363","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022354","11.43","0.002","14.94","0.003","16.12","0.005","90.73","0.008","105.34","0.003","99.45","0.003","2640.18","","230.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H57 Cl3 O8 S4 -","- C45 H57 Cl3 O8 S4 -","- C90 H114 Cl6 O16 S8 -","2","1","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0671","","","","0.0869","","","","","","2.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022355","11.2043","0.0006","15.275","0.002","14.901","0.001","90","","96.4206","0.0009","90","","2534.3","0.4","230.2","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C45 H60 O9 S4 -","- C43.4 H52.6 O9.5 S4 -","- C86.8 H105.2 O19 S8 -","2","0.5","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0601","","","","0.0754","","","","","","2.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022356","15.7107","0.0006","21.663","0.002","15.285","0.001","90","","102.772","0.0006","90","","5073.4","0.6","230.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 Cl3 O8 S4 -","- C45 H47.1 Cl2.1 O8 S4 -","- C180 H188.4 Cl8.4 O32 S16 -","4","1","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0659","","","","0.0687","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022357","13.4385","","7.1053","","16.4827","","90","","107.8","","90","","1498.5","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 O6 S -","- C31 H48 O6 S -","- C62 H96 O12 S2 -","2","1","","Andrés García-Granados; Pilar E. López; Enrique Melguizo; Juan N. Moliz; Andrés Parra; Yolanda Simeó; José A. Dobado","Epoxides, Cyclic Sulfites, and Sulfate from Natural Pentacyclic Triterpenoids: Theoretical Calculations and Chemical Transformations","Journal of Organic Chemistry","2003","68","","4833","4844","10.1021/jo026832s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022358","12.2443","0.0013","12.454","0.002","11.9541","0.0013","90","","90","","90","","1822.9","0.4","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H10 N O2 -","- C24 H10 N O2 -","- C96 H40 N4 O8 -","4","0.5","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.2089","0.1638","","","0.3901","0.4183","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022359","8.8628","0.0002","11.4131","0.0003","20.4548","0.0007","90","","93.2904","0.001","90","","2065.63","0.1","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.1004","0.068","","","0.1927","0.2092","","","","","","1.382","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022360","17.986","0.002","13.832","0.002","11.967","0.002","90","","128.574","0.006","90","","2327.7","0.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C128 H92 N4 O8 -","4","0.5","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.1827","0.1242","","","0.3322","0.3715","","","","","","1.274","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022361","10.1343","0.0002","10.1351","0.0002","11.8738","0.0003","111.002","0.001","113.436","0.001","96.5529","0.0009","996.63","0.04","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.0798","0.0547","","","0.1307","0.1685","","","","","","1.217","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022362","3.9442","0.0002","10.3945","0.0004","34.639","0.002","90","","91.587","0.001","90","","1419.6","0.1","298","","","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C84 H52 N4 O8 -","4","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.1871","0.1151","","","0.2906","0.3509","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022363","9.6439","0.0004","7.3388","0.0002","16.8992","0.0008","90","","90","","90","","1196.04","0.08","298","","","","","","","","","","Local laboratory","3","P n m a","-P 2ac 2n","62","","","","- C12 H17 Br -","- C12 H17 Br -","- C48 H68 Br4 -","4","0.5","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.055","0.0427","","","0.1137","0.1247","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022364","12.1636","0.0004","17.4913","0.0006","11.8633","0.0003","90","","110.623","0.0013","90","","2362.26","0.13","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C104 H108 N4 O16 -","4","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.1397","0.0788","","","0.1896","0.2252","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022365","10.9431","0.0003","11.7705","0.0003","12.3238","0.0003","99.2171","0.0014","92.7484","0.0013","115.082","0.0011","1407.17","0.06","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C68 H62 N2 O8 -","2","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.0788","0.0498","","","0.1119","0.1282","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022366","10.4907","0.0007","10.9269","0.0007","14.5995","0.0012","90","","120","180","90","","1431.8","0.2","298","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.0985","0.064","","","0.1743","0.2057","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022367","10.87","0.002","20.407","0.003","28.548","0.005","90","","90","0.004","90","","6333","1.9","123","2","123","2","","","","","","","chemical synthesis","6","C 1 2/c 1","-C 2yc","15","","2,3-bis(2,4,6-trimethyl)phenylbicyclo(2.2)octa-2-ene/ nitrosonium hexafluoroantimonate molecular complex 14 dichloromethane disolvate","","- C28 H36 Cl28 N4 O4 Sb4 -","- C28 H36 Cl28 N4 O4 Sb4 -","- C112 H144 Cl112 N16 O16 Sb16 -","4","0.5","","S. V. Rosokha; S. V. Lindeman; R. Rathore; J. K. Kochi","Molecular Recognition of NO/NO^+^ via Multicenter (Charge-Transfer) Binding to Bridged Diarene Donors. Effect of Structure on the Optical Transitions and Complexation Thermodynamics","Journal of Organic Chemistry","2003","68","","3947","3957","10.1021/jo030015q","","","0.71073","MoKα","","0.1081","0.0716","","0.2094","0.182","","","","1.049","1.157","1.157","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022368","10.8602","0.0005","13.1116","0.0006","14.8897","0.0006","77.221","0.001","83.298","0.001","81.585","0.001","2037.6","0.2","123","2","123","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","","9,10-Ethano-9,10-dihydro-1,2,3,4,5,6,7,8-octahydroanthracene/ nitrosonium hexachloroantimonate molecular complex 12, dichloromethane monosolvate","","- C25 H32 Cl14 N2 O2 Sb2 -","- C25 H32 Cl14 N2 O2 Sb2 -","- C50 H64 Cl28 N4 O4 Sb4 -","2","1","","S. V. Rosokha; S. V. Lindeman; R. Rathore; J. K. Kochi","Molecular Recognition of NO/NO^+^ via Multicenter (Charge-Transfer) Binding to Bridged Diarene Donors. Effect of Structure on the Optical Transitions and Complexation Thermodynamics","Journal of Organic Chemistry","2003","68","","3947","3957","10.1021/jo030015q","","","0.71073","MoKα","","0.0753","0.0397","","0.1088","0.0902","","","","0.989","1.044","1.044","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022369","36.694","0.004","11.8971","0.0012","21.742","0.002","90","","124.507","0.002","90","","7821.7","1.3","93","2","93","2","","","","","","","chemical synthesis","6","C 1 2/c 1","-C 2yc","15","","1,2,3,4-Tetraphenyl-5,7;6,8-bis(dimethylene)bicyclo(2.2)octa-2-ene/ nitrosonium hexachloroantimonate molecular complex 11, dichloromethane solvate","","- C37.5 H35 Cl9 N O Sb -","- C37.5 H35 Cl9 N O Sb -","- C300 H280 Cl72 N8 O8 Sb8 -","8","1","","S. V. Rosokha; S. V. Lindeman; R. Rathore; J. K. Kochi","Molecular Recognition of NO/NO^+^ via Multicenter (Charge-Transfer) Binding to Bridged Diarene Donors. Effect of Structure on the Optical Transitions and Complexation Thermodynamics","Journal of Organic Chemistry","2003","68","","3947","3957","10.1021/jo030015q","","","0.71073","MoKα","","0.0944","0.0523","","0.1609","0.1219","","","","1.121","1.126","1.126","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022370","19.4836","0.0008","13.9952","0.0006","32.7838","0.0014","90","","98.837","0.001","90","","8833.3","0.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-1,2-Diethyl-1,2-bis(pentamethylphenyl)ethylene/ nitrosonium hexachloroantimonate molecular complex 12, dichloromethane hemisolvate","","- C28.5 H41 Cl13 N2 O2 Sb2 -","- C28.5 H41 Cl13 N2 O2 Sb2 -","- C228 H328 Cl104 N16 O16 Sb16 -","8","2","","S. V. Rosokha; S. V. Lindeman; R. Rathore; J. K. Kochi","Molecular Recognition of NO/NO^+^ via Multicenter (Charge-Transfer) Binding to Bridged Diarene Donors. Effect of Structure on the Optical Transitions and Complexation Thermodynamics","Journal of Organic Chemistry","2003","68","","3947","3957","10.1021/jo030015q","","","0.71073","MoKα","","0.1215","0.0486","","0.1385","0.0995","","","","1.011","1.019","1.019","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022371","12.2964","0.0012","18.7203","0.0018","20.581","0.002","90","","90","","90","","4737.6","0.8","190","2","190","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H67 N4 O11 P Si2 -","- C39.2 H67.6 N4 O10.8 P Si2 -","- C156.8 H270.4 N16 O43.2 P4 Si8 -","4","1","","Xuemei Chen; David F. Wiemer","Synthesis of 5'-Amino-5'-phosphonate Analogues of Pyrimidine Nucleoside Monophosphates","Journal of Organic Chemistry","2003","68","","6108","6114","10.1021/jo030050x","","","0.71073","MoKα","","0.099","0.0605","","","0.1169","0.1338","","","","","","1.064","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022372","16.902","0.002","15.406","0.002","18.03","0.002","90","","90","","90","","4695.1","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 Co2 O7 -","- C24 H20 Co2 O7 -","- C192 H160 Co16 O56 -","8","2","","David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity","Investigation of a Stereoselective Co-Mediated Rearrangement Reaction","Journal of Organic Chemistry","2003","68","","4392","4399","10.1021/jo0300587","","","0.71073","MoKα","","0.1268","0.0474","","","0.0814","0.0976","","","","","","0.789","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022373","16.4131","0.0019","13.057","0.0015","23.774","0.003","90","","110.138","0.002","90","","4783.4","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Co2 O7 -","- C24 H22 Co2 O7 -","- C192 H176 Co16 O56 -","8","2","","David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity","Investigation of a Stereoselective Co-Mediated Rearrangement Reaction","Journal of Organic Chemistry","2003","68","","4392","4399","10.1021/jo0300587","","","0.71073","MoKα","","0.0833","0.047","","","0.1025","0.116","","","","","","0.918","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022374","32.378","0.009","15.971","0.004","9.371","0.003","90","","90","","90","","4846","2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H22 Co2 O7 -","- C24 H22 Co2 O7 -","- C192 H176 Co16 O56 -","8","1","","David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity","Investigation of a Stereoselective Co-Mediated Rearrangement Reaction","Journal of Organic Chemistry","2003","68","","4392","4399","10.1021/jo0300587","","","0.71073","MoKα","","0.0739","0.0468","","","0.1159","0.1291","","","","","","1.035","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022375","8.6166","0.0016","11.364","0.002","11.585","0.002","94.123","0.003","96.558","0.004","92.581","0.004","1122.4","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 Co2 O7 -","- C23 H20 Co2 O7 -","- C46 H40 Co4 O14 -","2","1","","David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity","Investigation of a Stereoselective Co-Mediated Rearrangement Reaction","Journal of Organic Chemistry","2003","68","","4392","4399","10.1021/jo0300587","","","0.71073","MoKα","","0.0711","0.0618","","","0.1949","0.1987","","","","","","1.211","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022376","9.2085","0.0017","13.517","0.003","15.355","0.004","90","","90","","90","","1911.3","0.7","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O -","- C24 H24 O -","- C96 H96 O4 -","4","1","","Ming-Shyong Yang; Shyue-Sheng Lu; Chitneni Prasad Rao; Yow-Fu Tsai; Chun-Chen Liao","Photochemistry of Bicyclo[2.2.2]oct-7-ene-2,5-diones and the Corresponding 5-Hydroxyimino and 5-Methylene Derivatives","Journal of Organic Chemistry","2003","68","","6543","6553","10.1021/jo0301191","","","1.5418","CuKα","","0.0544","0.0496","","","0.1446","0.1518","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022377","8.115","0.0003","9.3","0.0004","9.695","0.0004","74.074","0.002","85.712","0.003","85.968","0.003","700.68","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","spiro","2,5-diphenyl-7methyl-1,5,6-triazaspiro[2,4]hepta-1,6-dien-4-one","","- C17 H13 N3 O -","- C17 H13 N3 O -","- C34 H26 N6 O2 -","2","1","","Wolfgang Holzer; Rosa M. Claramunt; Marta Pérez-Torralba; Davide Guggi; Thomas H. Brehmer","Spiro-fused (C2)-Azirino-(C4)-Pyrazolones - a New Heterocyclic System, Synthesis, Spectroscopic Studies and X-Ray Structure Analysis","Journal of Organic Chemistry","2003","68","","7943","7950","10.1021/jo030131t","","","0.71073","MoKα","","0.0755","0.0437","","","0.1008","0.1137","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022378","4.825","0.0002","10.766","0.0004","29.502","0.0011","90","","90","","90","","1532.51","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","spiro","1-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2,4]hepta-1,6-dien-4-one","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Wolfgang Holzer; Rosa M. Claramunt; Marta Pérez-Torralba; Davide Guggi; Thomas H. Brehmer","Spiro-fused (C2)-Azirino-(C4)-Pyrazolones - a New Heterocyclic System, Synthesis, Spectroscopic Studies and X-Ray Structure Analysis","Journal of Organic Chemistry","2003","68","","7943","7950","10.1021/jo030131t","","","0.7107","MoKα","","0.0567","0.0404","","","0.0781","0.0832","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022379","9.0344","0.0018","16.368","0.003","21.868","0.004","90","","100.84","0.03","90","","3176","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl2 N O10 S2 -","- C32 H26 Cl2 N O10 S2 -","- C128 H104 Cl8 N4 O40 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0951","0.0512","","","0.151","0.1931","","","","","","0.788","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022380","16.803","0.003","13.651","0.003","12.88","0.003","90","","105.57","0.03","90","","2846","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Cl1.97 O9.89 S2 -","- C29 H24 Cl1.982 O9.928 S2 -","- C116 H96 Cl7.928 O39.712 S8 -","4","0.5","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0502","0.0386","","","0.1118","0.12","","","","","","1.113","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022381","14.198","0.003","13.998","0.003","15.977","0.003","90","","108","0.03","90","","3019.9","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Cl2 O10 S2 -","- C31 H28 Cl2 O10 S2 -","- C124 H112 Cl8 O40 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0915","0.0766","","","0.2275","0.2449","","","","","","1.09","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022382","9.3351","0.0019","16.983","0.003","21.505","0.004","90","","99.85","0.03","90","","3359.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl2 N O10.31 S2 -","- C34 H31 Cl1.997 N O10.305 S2 -","- C136 H124 Cl7.988 N4 O41.22 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0858","0.0519","","","0.1389","0.1562","","","","","","0.97","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022383","14.216","0.002","15.657","0.002","20.419","0.003","90","","90","","90","","4545","1.1","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl2 N O8 S2 -","- C18 H19 Cl2 N O8 S2 -","- C144 H152 Cl16 N8 O64 S16 -","8","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1565","0.1058","","","0.3031","0.3543","","","","","","1.131","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022384","9.7296","0.0011","22.347","0.002","10.4119","0.0011","90","","99.92","0.002","90","","2230","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl2 O8 S2 -","- C18 H20 Cl2 O8 S2 -","- C72 H80 Cl8 O32 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0883","0.0717","","","0.2447","0.2595","","","","","","1.16","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022385","9.431","0.003","16.61","0.005","16.074","0.004","90","","92.771","0.006","90","","2515","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl2 O8 S2 -","- C22 H28 Cl2 O8 S2 -","- C88 H112 Cl8 O32 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1279","0.078","","","0.2177","0.2448","","","","","","1.008","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022386","8.744","0.003","9.346","0.003","15.34","0.006","88.599","0.006","85.784","0.006","89.797","0.007","1249.9","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cl2 O8 S2 -","- C21.24 H26.1 Cl2 O8 S2 -","- C42.48 H52.2 Cl4 O16 S4 -","2","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1444","0.1224","","","0.3502","0.3643","","","","","","1.073","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022387","8.525","0.0017","9.498","0.0019","10.89","0.002","100.57","0.03","90.37","0.03","95.32","0.03","862.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Cl O5 S -","- C18 H17 Cl0.999 O4.996 S -","- C36 H34 Cl1.998 O9.992 S2 -","2","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1194","0.0789","","","0.2101","0.2331","","","","","","1.086","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022388","7.48","0.0015","10.651","0.002","12.722","0.003","66.52","0.03","83.04","0.03","77.92","0.03","908.2","0.3","318","2","318","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl O5 S -","- C19 H19 Cl O5 S -","- C38 H38 Cl2 O10 S2 -","2","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0919","0.0498","","","0.1268","0.1427","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022389","11.58","0.002","13.189","0.003","13.743","0.003","90","","112.42","0.03","90","","1940.3","0.7","318","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl O5 S -","- C20 H18 Cl O5 S -","- C80 H72 Cl4 O20 S4 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0852","0.0666","","","0.1702","0.1834","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022390","7.6869","0.0011","11.4845","0.0016","12.1644","0.0017","69.264","0.002","85.923","0.002","80.198","0.002","989.6","0.2","273","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl N O4 S2 -","- C18 H18 Cl N O4 S2 -","- C36 H36 Cl2 N2 O8 S4 -","2","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0731","0.0618","","","0.1799","0.1907","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022391","8.781","0.002","10.434","0.002","19.438","0.005","90","","98.524","0.005","90","","1761.4","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Cl O4 S2 -","- C17 H17 Cl O4 S2 -","- C68 H68 Cl4 O16 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1625","0.0491","","","0.1006","0.1247","","","","","","0.77","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022392","7.073","0.006","15.128","0.004","20.629","0.002","108.14","0.02","90.11","0.03","116.72","0.03","1847","2","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","2","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","1.5418","CuKα","","0.0597","0.0597","","0.1078","","0.1078","","","1.997","","","1.997","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022393","7.3176","0.0007","12.22","0.002","21.946","0.003","96.27","0.01","95.08","0.01","92.77","0.01","1939.7","0.4","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H36 O4 -","- C21 H36 O4 -","- C84 H144 O16 -","4","2","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","1.5418","CuKα","","0.0705","0.0705","","0.1114","","0.1114","","","1.918","","","1.918","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022394","10.319","0.003","12.142","0.006","14.861","0.005","90","","90","","90","","1862","1","273.2","","273.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","1","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","0.7107","MoKα","","0.0476","0.0476","","0.056","","0.056","","","1.611","","","1.611","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022395","11.691","0.003","11.75","0.002","12.767","0.003","90","","90","","90","","1753.8","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C76 H112 O16 -","4","1","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","1.5418","CuKα","","0.0644","0.0644","","0.1023","","0.1023","","","1.992","","","1.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022396","17.92","0.001","7.3606","0.0005","17.285","0.001","90","","115.6","0.2","90","","2057","2","273.2","","273.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19.35 H29.7 Cl0.7 O5.5 -","- C19.175 H29.7 Cl0.7 O5.25 -","- C76.7 H118.8 Cl2.8 O21 -","4","1","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","0.7107","MoKα","","0.0875","0.0875","","0.1156","","0.1156","","","1.977","","","1.977","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022397","9.997","0.004","26.118","0.005","12.236","0.009","90","","101.78","0.05","90","","3127","2","293.2","","293.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","?","- C30 H27 O6 -","- C120 H108 O24 -","4","1","","Samah Simaan; Jay S. Siegel; Silvio E. Biali","Tris(arylmethyl) Derivatives of 1,3,5-Trimethoxy- and 1,3,5-Triethylbenzene","Journal of Organic Chemistry","2003","68","","3699","3701","10.1021/jo034016u","","","1.5418","CuKalpha","","","0.068","","","0.081","","","","","4.08","4.08","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022398","18.555","0.0005","18.555","","15.1127","0.0007","90","","90","","120","","4506","0.2","293.2","","293.2","","","","","","","","","3","R -3 :H","-R 3","148","","","","?","- C36 H42 O3 -","- C216 H252 O18 -","6","0.333333","","Samah Simaan; Jay S. Siegel; Silvio E. Biali","Tris(arylmethyl) Derivatives of 1,3,5-Trimethoxy- and 1,3,5-Triethylbenzene","Journal of Organic Chemistry","2003","68","","3699","3701","10.1021/jo034016u","","","0.7107","MoKalpha","","","0.048","","","0.068","","","","","1.38","1.38","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022399","8.7775","0.0007","11.4944","0.0015","11.6367","0.0012","77.587","0.009","71.224","0.007","82.623","0.009","1083.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 F3 N2 O6 -","- C22 H21 F3 N2 O6 -","- C44 H42 F6 N4 O12 -","2","1","","Françisco M. Raymo; Silvia Giordani; Andrew J. P. White; David J. Williams","Digital Processing with a Three-State Molecular Switch","Journal of Organic Chemistry","2003","68","","4158","4169","10.1021/jo0340455","","","0.71073","MoKα","","0.0658","0.0479","","0.1357","0.1204","","","","1.061","1.111","1.111","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022400","11.3788","0.0004","14.1391","0.0006","28.7671","0.0014","90","","93.657","0.006","90","","4618.8","0.3","183","2","183","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24.5 H31 N2 O4.5 -","- C20 H19.85 N2 O4 -","- C160 H158.8 N16 O32 -","8","1","","Françisco M. Raymo; Silvia Giordani; Andrew J. P. White; David J. Williams","Digital Processing with a Three-State Molecular Switch","Journal of Organic Chemistry","2003","68","","4158","4169","10.1021/jo0340455","","","1.54178","CuKα","","0.075","0.0522","","0.1512","0.1384","","","","1.007","1.134","1.134","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022401","9.7541","0.0005","15.9433","0.0008","16.9386","0.0008","90","","94.818","0.001","90","","2624.9","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(R*Fc)-1-(tert-Butylsulfenyl)-2-(diphenylphosphino) ferrocenepalladium(II) chloride","","- C26 H27 Cl2 Fe P Pd S -","- C26 H27 Cl2 Fe P Pd S -","- C104 H108 Cl8 Fe4 P4 Pd4 S4 -","4","1","","Olga García Mancheño; Julián Priego; Silvia Cabrera; Ramón Gómez Arrayás; Tomás Llamas; Juan Carlos Carretero","1-Phosphino-2-sulfenylferrocenes as Planar Chiral Ligands in Enantioselective Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2003","68","","3679","3686","10.1021/jo0340657","","","0.71073","MoKα","","0.0805","0.0515","","","0.1076","0.118","","","","","","1.067","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022402","13.089","0.002","9.3002","0.0014","13.861","0.002","90","","108.971","0.003","90","","1595.7","0.4","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N S2 -","- C16 H21 N S2 -","- C64 H84 N4 S8 -","4","1","","Katsu Ogawa; Seth C. Rasmussen","A Simple and Efficient Route to N-Functionalized Dithieno[3,2-b:2',3'-d]pyrroles: Fused-Ring Building Blocks for New Conjugated Polymeric Systems","Journal of Organic Chemistry","2003","68","","2921","2928","10.1021/jo034078k","","","0.71073","MoKα","","0.1676","0.047","","","0.1034","0.1355","","","","","","0.851","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022403","12.9396","0.0012","7.9145","0.0007","35.458","0.003","90","","96.465","0.002","90","","3608.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N S2 -","- C20 H21 N S2 -","- C160 H168 N8 S16 -","8","2","","Katsu Ogawa; Seth C. Rasmussen","A Simple and Efficient Route to N-Functionalized Dithieno[3,2-b:2',3'-d]pyrroles: Fused-Ring Building Blocks for New Conjugated Polymeric Systems","Journal of Organic Chemistry","2003","68","","2921","2928","10.1021/jo034078k","","","0.71073","MoKα","","0.1612","0.0453","","","0.1048","0.1313","","","","","","0.805","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022404","12.802","0.0007","11.5375","0.0007","17.6364","0.001","90","","110.774","0.001","90","","2435.6","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N S2 -","- C12 H13 N S2 -","- C96 H104 N8 S16 -","8","2","","Katsu Ogawa; Seth C. Rasmussen","A Simple and Efficient Route to N-Functionalized Dithieno[3,2-b:2',3'-d]pyrroles: Fused-Ring Building Blocks for New Conjugated Polymeric Systems","Journal of Organic Chemistry","2003","68","","2921","2928","10.1021/jo034078k","","","0.71073","MoKα","","0.0973","0.0588","","","0.1765","0.1919","","","","","","1.143","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022405","14.5472","0.0015","6.0792","0.0006","20.508","0.002","90","","92.548","0.002","90","","1811.8","0.3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H18 F3 N O4 -","- C18 H18 F3 N O4 -","- C72 H72 F12 N4 O16 -","4","2","","Xiao-Long Qiu; Feng-Ling Qing","Synthesis of cis-4-Trifluoromethyl- and cis-4-Difluoromethyl‒pyroglutamic Acids","Journal of Organic Chemistry","2003","68","","3614","3617","10.1021/jo034098m","","","0.71073","MoKα","","0.1592","0.0389","","","0.0615","0.0822","","","","","","0.648","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022406","10.2553","0.001","12.0818","0.0012","15.6891","0.0015","90","","90","","90","","1943.9","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C72 H132 N4 O16 -","4","1","","Neal A. Yakelis; William R. Roush","Synthesis of the C(21)-C(26) Fragment of Superstolide A: Concerning the Stereochemistry of (E)-Crotylboration Reactions of Alaninal Derivatives","Journal of Organic Chemistry","2003","68","","3838","3843","10.1021/jo0341012","","","0.71073","MoKα","","0.0362","0.0323","","","0.0788","0.0816","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022407","11.7459","0.0009","15.2229","0.0012","12.689","0.001","90","","96.758","0.004","90","","2253.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O6 -","- C22 H30 N2 O6 -","- C88 H120 N8 O24 -","4","1","","Neal A. Yakelis; William R. Roush","Synthesis of the C(21)-C(26) Fragment of Superstolide A: Concerning the Stereochemistry of (E)-Crotylboration Reactions of Alaninal Derivatives","Journal of Organic Chemistry","2003","68","","3838","3843","10.1021/jo0341012","","","0.71073","MoKα","","0.1268","0.0493","","","0.0959","0.1089","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022408","10.409","0.002","16.274","0.002","12.299","0.003","90","","101.256","0.009","90","","2043.3","0.6","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","trans,trans-[1.1](3,3')-Azobenzenophane","","","- C26 H20 N4 -","- C26 H20 N4 -","- C104 H80 N16 -","4","2","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","1.5418","CuKα","","","0.0808","","","","0.2031","","","","","","1.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022409","11.096","0.003","40.91","0.02","9.121","0.002","90","","90","","90","","4140","2","243.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cis,trans-[1.1](3,3')-Azobenzenophane","","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","2","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","0.7107","MoKα","","","0.0436","","","","0.1541","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022410","17.009","0.002","27.519","0.003","8.5","0.002","90","","90","","90","","3978.5","1","243.2","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","cis,cis-[1.1](3,3')-Azobenzenophane","","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","0.25","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","0.7107","MoKα","","","0.0383","","","","0.1206","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022411","25.217","0.003","25.217","0.003","9.38","0.003","90","","90","","120","","5166","2","223","1","223","1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","trans,trans,trans-[1.1.1](3,3')-Azobenzenophane","","","- C40 H31 Cl3 N6 -","- C40 H31 Cl3 N6 -","- C240 H186 Cl18 N36 -","6","0.333333","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","0.71069","MoKα","","0.1478","0.0826","","","0.2114","0.2378","","","","","","1.446","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022412","26.833","0.006","6.391","0.001","28.216","0.005","90","","111.89","0.02","90","","4489","1","243.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","trans,trans,trans,trans-[1.1.1.1](3,3')-Azobenzenophane","","","- C53 H42 Cl2 N8 -","- C53 H42 Cl2 N8 -","- C212 H168 Cl8 N32 -","4","0.5","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","0.7107","MoKα","","","0.0533","","","","0.1674","","","","","","1.6","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022413","9.6737","0.0019","11.448","0.005","10.401","0.002","90","","109.83","0.02","90","","1083.5","0.6","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Camphanic acid 3-Benzyl-2-oxo-hexahydro-cyclopentaoxazol-4-yl ester","","- C23 H27 N O6 -","- C23 H27 N O6 -","- C46 H54 N2 O12 -","2","1","","Dae-Ro Ahn; Markus Mosimann; Christian J. Leumann","Synthesis of Cyclopentane Amide DNA (cpa-DNA) and Its Pairing Properties","Journal of Organic Chemistry","2003","68","","7693","7699","10.1021/jo034143q","","","1.54186","CuKα","","0.0354","0.0349","","","0.1039","0.1049","","","","","","0.785","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022414","22.502","0.004","8.811","0.001","10.208","0.001","90","","92.73","0.01","90","","2021.6","0.5","298.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S2 Se4 -","- C14 H16 O4 S2 Se4 -","- C56 H64 O16 S8 Se16 -","4","1","","Kazuo Takimiya; Yoshiro Kataoka; Naoto Niihara; Yoshio Aso; Tetsuo Otsubo","A General Method for the Synthesis of Alkylenedithio- and Bis(alkylenedithio)tetraselenafulvalenes","Journal of Organic Chemistry","2003","68","","5217","5224","10.1021/jo034145a","","","0.7107","MoKα","","","0.0465","","","","0.0698","","","","","","1.858","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022415","10.865","0.006","11.869","0.007","15.773","0.009","87.769","0.011","89.093","0.011","68.853","0.01","1895.7","1.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","15","","","- C52 H38 N2 -","- C52 H38 N2 -","- C104 H76 N4 -","2","1","","Howard E. Zimmerman; Tibor Novak","Regioselectivity of the Tri-π-methane Rearrangement: Mechanistic and Exploratory Organic Photochemistry","Journal of Organic Chemistry","2003","68","","5056","5066","10.1021/jo034189j","","","0.71073","MoKα","","0.068","0.0471","","","0.1273","0.1417","","","","","","0.842","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022416","10.4077","0.0009","11.081","0.001","14.0291","0.0012","102.376","0.002","106.899","0.002","97.251","0.002","1481","0.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","21a","","","- C40 H36 -","- C40 H36 -","- C80 H72 -","2","1","","Howard E. Zimmerman; Tibor Novak","Regioselectivity of the Tri-π-methane Rearrangement: Mechanistic and Exploratory Organic Photochemistry","Journal of Organic Chemistry","2003","68","","5056","5066","10.1021/jo034189j","","","0.71073","MoKα","","0.0498","0.0398","","","0.1013","0.1071","","","","","","1.052","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022417","21.146","0.003","17.623","0.003","10.657","0.002","90","","90","","90","","3971.4","1.2","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","25","","","- C52 H38 N2 -","- C52 H38 N2 -","- C208 H152 N8 -","4","0.5","","Howard E. Zimmerman; Tibor Novak","Regioselectivity of the Tri-π-methane Rearrangement: Mechanistic and Exploratory Organic Photochemistry","Journal of Organic Chemistry","2003","68","","5056","5066","10.1021/jo034189j","","","0.71073","MoKα","","0.0634","0.0539","","","0.1365","0.1431","","","","","","1.054","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022418","11.4252","0.0004","5.7427","0.0002","19.619","0.0006","90","","102.649","0.002","90","","1255.99","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F3 N O5 S -","- C9 H10 F3 N O5 S -","- C36 H40 F12 N4 O20 S4 -","4","1","","Albert Padwa; Paitoon Rashatasakhon; Mickea Rose","Triflic Anhydride Mediated Cyclization of 5-Hydroxy-Substituted Pyrrolidinones for the Preparation of α-Trifluoromethylsulfonamido Furans","Journal of Organic Chemistry","2003","68","","5139","5146","10.1021/jo0341970","","","1.54178","CuKα","","0.0457","0.0419","","","0.176","0.1967","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022419","7.517","0.001","15.096","0.002","20.836","0.002","90","","90","","90","","2364.4","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","kp118","","- C28 H22 Cl N3 O2 S -","- C28 H22 Cl N3 O2 S -","- C112 H88 Cl4 N12 O8 S4 -","4","1","","Zsuzsanna Riedl; Péter Kövér; György Hajós; Orsolya Egyed; László Fábián; András Messmer","Unexpected Ring Transformation to Pyrrolo[3.2-b]pyridine Derivatives. Fused Azolium Salts. 22","Journal of Organic Chemistry","2003","68","","5652","5659","10.1021/jo034231a","","","1.54184","CUkα","","0.0452","0.0429","","","0.1111","0.1127","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022420","8.069","0.001","9.488","0.001","16.125","0.001","90","","103.17","0.01","90","","1202","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","kp137","","- C15 H12 N4 -","- C15 H12 N4 -","- C60 H48 N16 -","4","1","","Zsuzsanna Riedl; Péter Kövér; György Hajós; Orsolya Egyed; László Fábián; András Messmer","Unexpected Ring Transformation to Pyrrolo[3.2-b]pyridine Derivatives. Fused Azolium Salts. 22","Journal of Organic Chemistry","2003","68","","5652","5659","10.1021/jo034231a","","","0.71073","MOkα","","0.1124","0.0511","","","0.1407","0.1542","","","","","","0.945","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022421","11.913","0.001","13.827","0.001","8.3","0.001","90","","90.51","0.01","90","","1367.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","kp158","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C60 H44 Cl4 N16 -","4","1","","Zsuzsanna Riedl; Péter Kövér; György Hajós; Orsolya Egyed; László Fábián; András Messmer","Unexpected Ring Transformation to Pyrrolo[3.2-b]pyridine Derivatives. Fused Azolium Salts. 22","Journal of Organic Chemistry","2003","68","","5652","5659","10.1021/jo034231a","","","1.54184","CUkα","","0.0638","0.0502","","","0.146","0.1536","","","","","","1.123","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022422","10.904","0.001","18.298","0.001","10.284","0.001","90","","99.305","0.008","90","","2024.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","kp83","","- C21 H14 Cl2 N4 S -","- C21 H14 Cl2 N4 S -","- C84 H56 Cl8 N16 S4 -","4","1","","Zsuzsanna Riedl; Péter Kövér; György Hajós; Orsolya Egyed; László Fábián; András Messmer","Unexpected Ring Transformation to Pyrrolo[3.2-b]pyridine Derivatives. Fused Azolium Salts. 22","Journal of Organic Chemistry","2003","68","","5652","5659","10.1021/jo034231a","","","1.54184","CUkα","","0.067","0.051","","","0.1515","0.1596","","","","","","1.066","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022423","8.7653","0.0018","9.2536","0.0019","17.751","0.004","90","","93.18","0.03","90","","1437.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl syn-2-hydroxy-2-phenyl-2-(cyclohex-5-en-1-on-2-yl)ethanoate","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Deevi Basavaiah; Bandaru Sreenivasulu; Anumolu Jaganmohan Rao","Steric Factors Direct Baylis-Hillman and Aldol Reactions in Titanium Tetrachloride Mediated Coupling between α-Keto Esters and Cyclohex-2-enone Derivatives","Journal of Organic Chemistry","2003","68","","5983","5991","10.1021/jo0342424","","","0.71073","MoKα","","0.1245","0.0605","","","0.1783","0.2601","","","","","","1.051","","","","has coordinates","278324","2022-10-03","14:41:54",""
"4022424","11.4023","0.001","11.8131","0.001","14.3594","0.0012","90","","91.307","0.002","90","","1933.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O2 S -","- C21 H23 N O2 S -","- C84 H92 N4 O8 S4 -","4","1","","Shengming Ma; Fei Yu; Wenzhong Gao","Studies on Pd(II)-Catalyzed Coupling-Cyclization of α- or β-Amino Allenes with Allylic Halides","Journal of Organic Chemistry","2003","68","","5943","5949","10.1021/jo0342469","","","0.71073","MoKα","","0.0708","0.0484","","","0.1188","0.1276","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022425","19.0973","0.0016","7.8121","0.0006","13.1877","0.0011","90","","91.457","0.002","90","","1966.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N2 O4 S -","- C19 H26 N2 O4 S -","- C76 H104 N8 O16 S4 -","4","1","","Shengming Ma; Fei Yu; Wenzhong Gao","Studies on Pd(II)-Catalyzed Coupling-Cyclization of α- or β-Amino Allenes with Allylic Halides","Journal of Organic Chemistry","2003","68","","5943","5949","10.1021/jo0342469","","","0.71073","MoKα","","0.1208","0.0608","","","0.1249","0.1589","","","","","","0.829","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022426","19.664","0.004","13.18","0.003","16.273","0.003","90","","114.44","0.03","90","","3839.5","1.3","109","2","109","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N3 O3 S -","- C20 H18 F3 N3 O3 S -","- C160 H144 F24 N24 O24 S8 -","8","2","","Andrei N. Vedernikov; Maren Pink; Kenneth G. Caulton","Design and Synthesis of Tridentate Facially Chelating Ligands of the [2.n.1]-(2,6)-Pyridinophane Family","Journal of Organic Chemistry","2003","68","","4806","4814","10.1021/jo034268v","","","0.71073","MoKα","","0.0592","0.0451","","","0.1129","0.1244","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022427","8.6423","0.0003","10.9307","0.0003","14.1882","0.0004","67.711","0.001","81.313","0.001","83.919","0.001","1224.2","0.06","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 F6 N3 O6 S2 -","- C21 H19 F6 N3 O6 S2 -","- C42 H38 F12 N6 O12 S4 -","2","1","","Andrei N. Vedernikov; Maren Pink; Kenneth G. Caulton","Design and Synthesis of Tridentate Facially Chelating Ligands of the [2.n.1]-(2,6)-Pyridinophane Family","Journal of Organic Chemistry","2003","68","","4806","4814","10.1021/jo034268v","","","0.71073","MoKα","","0.0671","0.0414","","","0.0972","0.1122","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022428","10.7329","0.0007","11.2582","0.0008","15.663","0.0008","90","","104.61","0.005","90","","1831.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54184","CuKα","","0.0447","0.0397","","","0.1038","0.1075","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022429","8.4121","0.0013","18.727","0.002","24.832","0.004","93.628","0.01","99.77","0.011","102.961","0.009","3735.9","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C168 H224 O40 -","8","4","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.5406","","","0.181","0.0874","","","0.1949","0.2434","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022430","11.2995","0.0001","6.891","0.0001","22.904","0.0003","90","","90.209","0.001","90","","1783.4","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54178","CuKα","","0.0955","0.0574","","","0.1329","0.1498","","","","","","0.858","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022431","11.387","0.002","11.6075","0.0012","14.4155","0.0016","90","","108.103","0.012","90","","1811.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H104 O20 -","- C84 H104 O20 -","- C84 H104 O20 -","1","0.25","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54178","CuKα","","0.0782","0.0581","","","0.1722","0.1962","","","","","","0.813","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022432","7.1492","0.0003","11.0375","0.0012","12.7736","0.0015","69.967","0.01","83.763","0.006","78.833","0.006","928.06","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C42 H52 O10 -","2","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54178","CuKα","","0.0891","0.0526","","","0.125","0.1485","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022433","17.11","0.005","7.807","0.005","27.288","0.005","90","0.005","104.952","0.005","90","0.005","3522","3","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C152 H208 O40 -","8","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54184","CuKα","","0.1736","0.0666","","","0.183","0.2279","","","","","","0.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022434","6.6967","0.0017","12.147","0.003","23.158","0.003","90","","90","","90","","1883.8","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O7 -","- C21 H26 O7 -","- C84 H104 O28 -","4","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54184","CuKα","","0.0552","0.0486","","","0.1252","0.1299","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022435","9.836","","15.162","","25.822","","90","","90","","90","","3851","","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C168 H224 O56 -","8","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.5406","","","0.156","0.0834","","","0.2403","0.3119","","","","","","0.953","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022436","12.3574","0.0018","9.489","0.003","17.527","0.002","90","0.005","102.906","0.01","90","0.005","2003.4","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O7 -","- C21 H28 O8 -","- C84 H112 O32 -","4","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54178","CuKα","","0.0995","0.0755","","","0.2189","0.2379","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022437","22.957","0.004","12.498","0.002","10.851","0.002","90","","90","","90","","3113.4","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C128 H192 O24 -","8","1","","Yishu Du; Xiyan Lu","A Phosphine-Catalyzed [3+2] Cycloaddition Strategy Leading to the First Total Synthesis of (-)-Hinesol","Journal of Organic Chemistry","2003","68","","6463","6465","10.1021/jo034281f","","","0.71069","MoKα","","0.1395","0.0522","","","0.1358","0.1672","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022438","5.8209","0.0002","15.1688","0.0004","24.5767","0.0009","90","","90","","90","","2170","0.1","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N3 O6 -","- C19 H31 N3 O6 -","- C76 H124 N12 O24 -","4","1","","Alessandro Dondoni; Alessandro Massi; Erik Minghini; Simona Sabbatini; Valerio Bertolasi","Model Studies toward the Synthesis of Dihydropyrimidinyl and Pyridyl α-Amino Acids via Three-Component Biginelli and Hantzsch Cyclocondensations","Journal of Organic Chemistry","2003","68","","6172","6183","10.1021/jo0342830","","","0.7107","MoKα","","0.0531","0.0408","","","0.0951","0.1041","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022439","5.284","0.001","14.857","0.003","21.982","0.004","90","","90","","90","","1725.7","0.6","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(4-Chloro-phenyl)-4-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxo-butyric acid methyl ester","","- C20 H15 Cl O6 -","- C20 H15 Cl O6 -","- C80 H60 Cl4 O24 -","4","1","","Nis Halland; Thomas Velgaard; Karl Anker Jørgensen","Direct Asymmetric Michael Reactions of Cyclic 1,3-Dicarbonyl Compounds and Enamines Catalyzed by Chiral Bisoxazoline-Copper(II) Complexes","Journal of Organic Chemistry","2003","68","","5067","5074","10.1021/jo0343026","","","0.71073","MoKα","","","0.046","","","","0.047","","","","","","1.14","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022440","19.884","0.0003","7.823","0.0002","23.582","0.0005","90","","148.659","0.001","90","","1907.96","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cr N O5 -","- C20 H13 Cr N O5 -","- C80 H52 Cr4 N4 O20 -","4","1","","Pedro J. Campos; Diego Sampedro; Miguel A. Rodríguez","Irradiation of Imine-Group VI Carbene Complexes in the Presence of Alkynes: A Theoretical and Experimental Study","Journal of Organic Chemistry","2003","68","","4674","4683","10.1021/jo0343073","","","0.7107","MoKα","","0.1363","0.0873","","","0.1713","0.227","","","","","","1.51","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022441","8.857","0.0003","8.856","0.0004","22.924","0.0013","89.427","0.0013","89.415","0.0014","62.973","0.003","1601.62","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O -","- C19 H16 N O -","- C76 H64 N4 O4 -","4","2","","Pedro J. Campos; Diego Sampedro; Miguel A. Rodríguez","Irradiation of Imine-Group VI Carbene Complexes in the Presence of Alkynes: A Theoretical and Experimental Study","Journal of Organic Chemistry","2003","68","","4674","4683","10.1021/jo0343073","","","0.7107","MoKα","","0.1382","0.0828","","","0.2133","0.2703","","","","","","1.744","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022442","5.4594","0.0003","12.0514","0.0007","10.5212","0.0006","90","","102.393","0.005","90","","676.1","0.07","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-hydroxylamino-4,5-dihydroimidazolium-O-sulfonate","","- C3 H7 N3 O4 S -","- C3 H7 N3 O4 S -","- C12 H28 N12 O16 S4 -","4","1","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","MoKα","","0.0271","0.026","","","0.0672","0.0682","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022443","6.6652","0.0005","8.1833","0.0008","11.246","0.0008","83.311","0.007","77.601","0.006","69.863","0.008","561.86","0.08","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","7-benzyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]thiadiazol-3-thione","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C22 H22 N6 S4 -","2","1","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","MoKα","","0.0378","0.0329","","","0.0837","0.0875","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022444","22.7501","0.0013","6.1929","0.0004","15.6134","0.0009","90","","132.541","0.005","90","","1620.77","0.17","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7,8-dihydroimidazo[1,2-c][1,3,5]thiadiazine-2,4(6H)-dithione","","- C5 H5 N3 S3 -","- C5 H5 N3 S3 -","- C40 H40 N24 S24 -","8","1","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","MoKα","","0.0453","0.0403","","","0.1053","0.1095","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022445","10.6922","0.0014","9.834","0.0013","10.9612","0.0014","90","","115.541","0.013","90","","1039.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,7-dihydro-3-spiro(4-methylcyclohexyl)-5H-imidazo[2,1-c][1,2,4]oxadiazole","","- C10 H17 N3 O -","- C10 H17 N3 O -","- C40 H68 N12 O4 -","4","1","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","MoKα","","0.0537","0.0445","","","0.1123","0.12","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022446","9.9784","0.0004","16.5446","0.0006","13.1448","0.0006","90","","91.663","0.004","90","","2169.14","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenyl-2-phenylimino-8-(n-phenylthiocarbamoyl) -2,6,7,8-tetrahydroimidazo[1,2-a][1,3,5]triazin -4(3H)-thione","","- C24 H20 N6 S2 -","- C24 H20 N6 S2 -","- C96 H80 N24 S8 -","4","1","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","MoKα","","0.0494","0.0392","","","0.0947","0.1012","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022452","6.2662","0.0003","13.0714","0.0007","17.4538","0.0009","90","","90","","90","","1429.61","0.13","140","2","140","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","7-acetyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]thiadiazol-3-thione","","- C9 H8 N6 S5 -","- C9 H8 N6 S5 -","- C36 H32 N24 S20 -","4","0.5","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","","","0.0314","0.029","","","0.0705","0.0724","","","","","","1.109","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022453","3.929","","10.038","","11.006","","114.32","","92.99","","92.9","","393.8","","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","1","0.5","","Pierre Frère; Jean-Manuel Raimundo; Philippe Blanchard; Jacques Delaunay; Pascal Richomme; Jean-Louis Sauvajol; Jesus Orduna; Javier Garin; Jean Roncali","Effect of Local Molecular Structure on the Chain-Length Dependence of the Electronic Properties of Thiophene-Based π-Conjugated Systems","Journal of Organic Chemistry","2003","68","","7254","7265","10.1021/jo034319o","","x-ray","0.71073","MoKα","","","0.0451","","","","0.1145","","","","","","1.033","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022454","16.749","0.004","6.2476","0.0015","17.816","0.004","90","","106.363","0.005","90","","1788.8","0.7","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Jeffrey Marrero; Abimael D. Rodríguez; Peter Baran; Raphael G. Raptis","Isolation and Characterization of Kallosin A, a Novel Rearranged Pseudopterane Diterpenoid from the Caribbean Sea Plume Pseudopterogorgia kallos (Bielschowsky)","Journal of Organic Chemistry","2003","68","","4977","4979","10.1021/jo0343329","","","0.71073","MoKα","","0.1204","0.0534","","","0.1091","0.1339","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022455","9.883","0.0002","10.0326","0.0002","18.5657","0.0005","90","","113.833","0.0018","90","","1683.86","0.07","298","","","","","","","","","","DVA04057","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 P -","- C22 H17 P -","- C88 H68 P4 -","4","1","","Derek Van Allen; D. Venkataraman","Copper-Catalyzed Synthesis of Unsymmetrical Triarylphosphines","Journal of Organic Chemistry","2003","68","","4590","4593","10.1021/jo0343376","","","0.71073","MoKα","","0.0474","0.0373","","","0.0956","0.103","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022456","22.1341","0.0006","7.6802","0.0003","11.0101","0.0003","90","","107.876","0.002","90","","1781.3","0.1","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C88 H112 O16 -","8","1","","Richard S. Grainger; Richard B. Owoare; Patrizia Tisselli; Jonathan W. Steed","A Synthetic Alternative to the Type-II Intramolecular 4 + 3 Cycloaddition Reaction","Journal of Organic Chemistry","2003","68","","7899","7902","10.1021/jo034356f","","","0.71073","MoKα","","0.05","0.0397","","","0.0971","0.1031","","","","","","1.063","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022457","12.289","0.0006","13.448","0.0007","19.389","0.0011","90","","107.481","0.003","90","","3056.3","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 B F15 N O2 -","- C31 H21 B F15 N O2 -","- C124 H84 B4 F60 N4 O8 -","4","1","","Iain D. G. Watson; Andrei K. Yudin","Ring-Opening Reactions of Nonactivated Aziridines Catalyzed by Tris(pentafluorophenyl)borane","Journal of Organic Chemistry","2003","68","","5160","5167","10.1021/jo0343578","","","0.71073","MoKα","","0.103","0.0597","","","0.1373","0.16","","","","","","1.041","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022458","47.427","0.005","47.427","0.005","12.6667","0.0018","90","","90","","120","","24674","5","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C57.56 H63 Cl0.67 N8 O16.22 -","- C57.5533 H62.9933 Cl0.67 N8 O16.22 -","- C1035.96 H1133.88 Cl12.06 N144 O291.96 -","18","1","","Christopher A. Burnett; Dariusz Witt; James C. Fettinger; Lyle Isaacs","Acyclic Congener of Cucurbituril: Synthesis and Recognition Properties","Journal of Organic Chemistry","2003","68","","6184","6191","10.1021/jo034399w","","","0.71073","MoKα","","0.0772","0.0529","","","0.1579","0.1739","","","","","","1.144","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022459","10.5291","0.0007","10.7853","0.0008","12.3102","0.0008","87.856","0.001","89.706","0.001","84.61","0.001","1390.78","0.17","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 Cl2 N4 O8 -","- C26 H29 Cl2 N4 O8 -","- C52 H58 Cl4 N8 O16 -","2","1","","Christopher A. Burnett; Dariusz Witt; James C. Fettinger; Lyle Isaacs","Acyclic Congener of Cucurbituril: Synthesis and Recognition Properties","Journal of Organic Chemistry","2003","68","","6184","6191","10.1021/jo034399w","","","0.71073","MoKα","","0.0541","0.0444","","","0.1245","0.1309","","","","","","1.107","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022460","10.222","0.01","10.812","0.009","12.05","0.009","66.96","0.04","68.77","0.05","83.88","0.06","1141","1","293.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H28 O -","- C29 H28 O -","- C58 H56 O2 -","2","1","","Yoshito Terao; Hiroyuki Wakui; Michiyo Nomoto; Tetsuya Satoh; Masahiro Miura; Masakatsu Nomura","Palladium-Catalyzed Arylation of α,α-Disubstituted Arylmethanols via Cleavage of a C-C or a C-H Bond To Give Biaryls","Journal of Organic Chemistry","2003","68","","5236","5243","10.1021/jo0344034","","","0.7107","MoKα","","","0.0795","","","","0.1859","","","","","","1.671","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022461","19.208","0.003","15.746","0.002","19.587","0.003","90","0.01","90","0.01","90","0.01","5924","1.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C67 H84 N4 O2 Ru -","- C67 H84 N4 O2 Ru -","- C268 H336 N16 O8 Ru4 -","4","1","","Jason A. Miller; Edward J. Hennessy; Will J. Marshall; Mark A. Scialdone; SonBinh T. Nguyen","trans-Cyclopropyl β-Amino Acid Derivatives via Asymmetric Cyclopropanation Using a (Salen)Ru(II) Catalyst","Journal of Organic Chemistry","2003","68","","7884","7886","10.1021/jo0344079","","","0.71073","MoKα","","0.0549","0.0404","","","0.1002","0.109","","","","","","1.035","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022462","6.985","0.0004","13.051","0.001","16.103","0.002","90","","90","","90","","1468","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O3 -","- C15 H23 O3 -","- C60 H92 O12 -","4","1","","Jean-Pierre Uttaro; Gérard Audran; Elie Palombo; Honoré Monti","First Enantioselective Synthesis and Absolute Stereochemistry Assignment of New Monocyclic Sesquiterpenes from Artemisia chamaemelifolia","Journal of Organic Chemistry","2003","68","","5407","5410","10.1021/jo034424y","","","0.71073","MoKα","","0.1128","0.1075","","","0.2991","0.3053","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022463","7.247","0.008","14.078","0.006","14.564","0.007","110.59","0.03","90.06","0.08","93.6","0.07","1387.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","compound-7","","- C16 H13 F N4 O -","- C16 H13 F N4 O -","- C64 H52 F4 N16 O4 -","4","2","","Cécile Enguehard; Hassan Allouchi; Alain Gueiffier; Stephen L. Buchwald","Ipso- or Cine-Substitutions of 6-Haloimidazo[1,2-a]pyridine Derivatives with Different Azoles Depending on the Reaction Conditions","Journal of Organic Chemistry","2003","68","","5614","5617","10.1021/jo034439w","","","0.71069","MoKα","","0.1139","0.0519","","","0.1261","0.1458","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022464","10.315","0.002","10.086","0.001","17.44","0.003","90","","106.88","0.02","90","","1736.2","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Jan K. Eberhardt; Roland Fröhlich; Ernst-Ulrich Würthwein","N-Acylamidine Palladium(II) Complexes. Synthesis, Structures, and Catalytic Activity for Suzuki-Miyaura Cross-Coupling Reactions: Experiments and DFT Calculations","Journal of Organic Chemistry","2003","68","","6690","6694","10.1021/jo034455t","","","1.54178","CuKα","","0.0851","0.0497","","","0.1289","0.1493","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022465","10.716","0.001","15.786","0.001","10.911","0.001","90","","111.56","0.01","90","","1716.6","0.2","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl2 N4 O2 Pd -","- C32 H48 Cl2 N4 O2 Pd -","- C64 H96 Cl4 N8 O4 Pd2 -","2","0.5","","Jan K. Eberhardt; Roland Fröhlich; Ernst-Ulrich Würthwein","N-Acylamidine Palladium(II) Complexes. Synthesis, Structures, and Catalytic Activity for Suzuki-Miyaura Cross-Coupling Reactions: Experiments and DFT Calculations","Journal of Organic Chemistry","2003","68","","6690","6694","10.1021/jo034455t","","","0.71073","MoKα","","0.0332","0.0258","","","0.0625","0.066","","","","","","1.042","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022466","10.603","0.001","15.207","0.001","10.839","0.001","90","","108.89","0.01","90","","1653.6","0.2","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Cl2 N4 O2 Pd -","- C30 H44 Cl2 N4 O2 Pd -","- C60 H88 Cl4 N8 O4 Pd2 -","2","0.5","","Jan K. Eberhardt; Roland Fröhlich; Ernst-Ulrich Würthwein","N-Acylamidine Palladium(II) Complexes. Synthesis, Structures, and Catalytic Activity for Suzuki-Miyaura Cross-Coupling Reactions: Experiments and DFT Calculations","Journal of Organic Chemistry","2003","68","","6690","6694","10.1021/jo034455t","","","0.71073","MoKα","","0.0307","0.0271","","","0.0662","0.0682","","","","","","1.032","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022467","9.44","0.001","10.181","0.001","10.621","0.001","68.3","0.01","89.88","0.01","67.89","0.01","867.47","0.15","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl2 N4 O2 Pd -","- C36 H40 Cl2 N4 O2 Pd -","- C36 H40 Cl2 N4 O2 Pd -","1","0.5","","Jan K. Eberhardt; Roland Fröhlich; Ernst-Ulrich Würthwein","N-Acylamidine Palladium(II) Complexes. Synthesis, Structures, and Catalytic Activity for Suzuki-Miyaura Cross-Coupling Reactions: Experiments and DFT Calculations","Journal of Organic Chemistry","2003","68","","6690","6694","10.1021/jo034455t","","","0.71073","MoKα","","0.0418","0.0333","","","0.0706","0.0747","","","","","","1.067","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022468","11.0839","0.0017","6.428","0.001","29.59","0.005","90","","90.779","0.003","90","","2108","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C92 H112 N8 O16 -","4","1","","Brant Boren; Jennifer S. Hirschi; Joseph H. Reibenspies; Matthew D. Tallant; Daniel A. Singleton; Gary A. Sulikowski","Exo-Selective Diels-Alder Reactions of Vinylazepines. Origin of Divergent Stereoselectivity in Diels-Alder Reactions of Vinylazepines, Vinylpiperideines, and Vinylcycloalkenes","Journal of Organic Chemistry","2003","68","","8991","8995","10.1021/jo034462h","","","0.71073","MoKα","","0.1281","0.0721","","","0.1729","0.2233","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022469","30.149","0.016","7.157","0.004","23.908","0.013","90","","122.856","0.009","90","","4334","4","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","gs39","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C184 H224 N16 O32 -","8","1","","Brant Boren; Jennifer S. Hirschi; Joseph H. Reibenspies; Matthew D. Tallant; Daniel A. Singleton; Gary A. Sulikowski","Exo-Selective Diels-Alder Reactions of Vinylazepines. Origin of Divergent Stereoselectivity in Diels-Alder Reactions of Vinylazepines, Vinylpiperideines, and Vinylcycloalkenes","Journal of Organic Chemistry","2003","68","","8991","8995","10.1021/jo034462h","","","0.71073","MoKα","","0.0942","0.0547","","","0.1392","0.1619","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022470","14.265","0.004","17.596","0.005","8.679","0.003","90","","90","","90","","2178.4","1.2","571","2","571","2","","","","","","","","4","P n a 21","P 2c -2n","33","gs41","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","","Brant Boren; Jennifer S. Hirschi; Joseph H. Reibenspies; Matthew D. Tallant; Daniel A. Singleton; Gary A. Sulikowski","Exo-Selective Diels-Alder Reactions of Vinylazepines. Origin of Divergent Stereoselectivity in Diels-Alder Reactions of Vinylazepines, Vinylpiperideines, and Vinylcycloalkenes","Journal of Organic Chemistry","2003","68","","8991","8995","10.1021/jo034462h","","","0.71073","MoKα","","0.0617","0.0455","","","0.1095","0.1208","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022471","8.524","0.001","10.04","0.003","24.132","0.005","90","0.02","90","0.01","90","0.02","2065.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,9aR,9bS)-2-Phenyl-6-[(R)-1-phenyl-ethyl]- 4,6,8,9,9a,9b-hexahydro-3aH-pyrrolo[3,4-f]quinoline-1,3,7-trione","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C100 H96 N8 O12 -","4","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0489","0.0472","","","0.131","0.1348","","","","","","0.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022472","9.079","0.001","9.92","0.001","27.771","0.002","90","0.007","90","0.006","90","0.007","2501.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,4R,9aR,9bS)-4-Butyl-2-phenyl-6-[(R)-1-phenyl-ethyl]- 4,6,8,9,9a,9b-hexahydro-3aH-pyrrolo[3,4-f]quinoline-1,3,7-trione","","- C29 H32 N2 O3 -","- C29 H32 N2 O3 -","- C116 H128 N8 O12 -","4","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0737","0.0673","","","0.182","0.1932","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022473","8.986","0.001","9.522","0.001","14.42","0.001","90","0.002","90.139","0.002","90","0.002","1233.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aR,4R,9aR,9bS)-2,4-Diphenyl-6-[(R)-1-phenyl-ethyl]- 4,6,8,9,9a,9b-hexahydro-3aH-pyrrolo[3,4-f]quinoline-1,3,7-trione","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C62 H56 N4 O6 -","2","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0638","0.046","","","0.1138","0.1259","","","","","","0.852","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022474","10.191","0.001","13.857","0.002","10.568","0.001","90","0.01","114.6","0.01","90","0.02","1356.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4aR,6R,7R-2-Oxo-7-phenyl-1-(R)-(1-phenyl-ethyl)- 1,2,3,4,4a,5,6,7-octahydro-quinoline-6-carboxylic acid S-(1-phenyl-ethyl)-amide","","- C32 H34 N2 O2 -","- C32 H34 N2 O2 -","- C64 H68 N4 O4 -","2","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0569","0.0547","","","0.1581","0.1629","","","","","","0.705","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022475","9.415","0.001","9.884","0.001","30.493","0.002","90","0.003","90","0.003","90","0.002","2837.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(4aS,6S,7S)-7-Butyl-2-oxo-1-(R)-(1-phenylethyl)- 1,2,3,4,4a,5,6,7-octahydro-quinoline-6-carboxylic Acid (S)-(1-phenylethyl)-amide","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.1498","0.0915","","","0.1806","0.2083","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022476","7.553","0.001","9.066","0.001","31.076","0.002","90","","90","","90","","2127.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-3-isopropylidene-4-methyl-2-phenyl- 1,2,3,5,6,7,8,8a-octahydroquinoline","","- C26 H31 N -","- C26 H31 N -","- C104 H124 N4 -","4","1","","David Regás; María M. Afonso; Matías L. Rodríguez; J. Antonio Palenzuela","Synthesis of Octahydroquinolines through the Lewis Acid Catalyzed Reaction of Vinyl Allenes and Imines","Journal of Organic Chemistry","2003","68","","7845","7852","10.1021/jo034480z","","","0.71073","MoKα","","0.0635","0.0553","","","0.141","0.1477","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022477","9.1347","0.0003","9.4741","0.0003","18.1026","0.0006","90","","90","","90","","1566.65","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aR,6S,7S,8R,8aS)-7,8-diacetyloxy-6-methylhexahydro-4aH-[1,4]dithiino [2,3b]pyran.","","- C12 H18 O5 S2 -","- C12 H18 O5 S2 -","- C48 H72 O20 S8 -","4","1","","Mabel Fragoso-Serrano; Georgina Guillén-Jaramillo; Rogelio Pereda-Miranda; Carlos M. Cerda-García-Rojas","Conformational Analysis of Sulfur-Containing 6-Deoxy-L-hexose Derivatives by Molecular Modeling and NMR Spectroscopy. A Theoretical Study and Experimental Evidence of Intramolecular Nonbonded Interactions between Sulfur and Oxygen","Journal of Organic Chemistry","2003","68","","7167","7175","10.1021/jo034492k","","","0.71073","MoKα","","0.0479","0.0416","","","0.0964","0.1004","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022478","7.9175","0.0008","19.677","0.002","6.93","0.0007","90","","90","","90","","1079.67","0.19","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H11 F2 N3 O4 -","- C9 H10 F2 N3 O4.093 -","- C36 H40 F8 N12 O16.372 -","4","1","","Xingang Zhang; Hairong Xia; XiCheng Dong; Jing Jin; Wei-Dong Meng; Feng-Ling Qing","3-Deoxy-3,3-difluoro-D-arabinofuranose: First Stereoselective Synthesis and Application in Preparation of gem-Difluorinated Sugar Nucleosides","Journal of Organic Chemistry","2003","68","","9026","9033","10.1021/jo034512i","","","0.71073","MoKα","","0.068","0.0391","","","0.0609","0.0663","","","","","","0.865","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022479","12.253","0.008","5.482","0.004","14.256","0.012","90","","112.583","0.013","90","","884.1","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 F2 O3 S -","- C19 H18 F2 O3 S -","- C38 H36 F4 O6 S2 -","2","1","","Xingang Zhang; Hairong Xia; XiCheng Dong; Jing Jin; Wei-Dong Meng; Feng-Ling Qing","3-Deoxy-3,3-difluoro-D-arabinofuranose: First Stereoselective Synthesis and Application in Preparation of gem-Difluorinated Sugar Nucleosides","Journal of Organic Chemistry","2003","68","","9026","9033","10.1021/jo034512i","","","0.71073","MoKα","","0.0639","0.0458","","","0.112","0.1207","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022480","11.0397","0.0013","8.1327","0.0009","12.9723","0.0015","90","","106.01","0.002","90","","1119.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 F2 N3 O2 S -","- C9 H11 F2 N3 O2 S -","- C36 H44 F8 N12 O8 S4 -","4","1","","Xingang Zhang; Hairong Xia; XiCheng Dong; Jing Jin; Wei-Dong Meng; Feng-Ling Qing","3-Deoxy-3,3-difluoro-D-arabinofuranose: First Stereoselective Synthesis and Application in Preparation of gem-Difluorinated Sugar Nucleosides","Journal of Organic Chemistry","2003","68","","9026","9033","10.1021/jo034512i","","","0.71073","MoKα","","0.0896","0.0472","","","0.0842","0.093","","","","","","0.802","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022481","8.47","0.06","13.71","0.015","19.471","0.004","90","","90","","90","","2260","16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 I O3 -","- C23 H33 I O3 -","- C92 H132 I4 O12 -","4","1","","José Barluenga; Mónica Álvarez-Pérez; Félix Rodríguez; Fracisco J. Fañanás; José A. Cuesta; Santiago García-Granda","Total Diastereofacial Selective Iodofunctionalization of Terpene Derivatives Based on Ipy~2~BF~4~","Journal of Organic Chemistry","2003","68","","6583","6586","10.1021/jo034517f","","","0.71073","MoKα","","0.0998","0.0415","","","0.0936","0.1147","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022482","13.826","0.0009","13.826","0.0009","10.088","0.0006","90","","90","","120","","1670.05","0.18","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C23 H33 I O3 -","- C23 H33 I O3 -","- C69 H99 I3 O9 -","3","1","","José Barluenga; Mónica Álvarez-Pérez; Félix Rodríguez; Fracisco J. Fañanás; José A. Cuesta; Santiago García-Granda","Total Diastereofacial Selective Iodofunctionalization of Terpene Derivatives Based on Ipy~2~BF~4~","Journal of Organic Chemistry","2003","68","","6583","6586","10.1021/jo034517f","","","1.5418","CuKα","","0.0552","0.0408","","","0.1176","0.1414","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022483","12.331","0.009","11.235","0.005","8.528","0.002","90","","94.05","0.04","90","","1179","1","294.2","","294.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Qunzhao Wang; Omar W. Steward","Cyclic Alkenenitriles: Synthesis, Conjugate Addition, and Stereoselective Annulation","Journal of Organic Chemistry","2003","68","","7646","7650","10.1021/jo0345291","","","0.7107","MoKα","","","0.0466","","","","0.0537","","","","","","1.237","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022484","4.92","0.01","37.11","0.05","8.36","0.01","93.27","0.01","104.64","0.01","89.43","0.01","1474","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,5''-Bis(n-hexyl)-2,2':5,2''-ter(3,4-ethylenedioxythiophene","","- C30 H38 O6 S3 -","- C30 H38 O6 S3 -","- C60 H76 O12 S6 -","2","1","","Mathieu Turbiez; Pierre Frère; Jean Roncali","Stable and Soluble Oligo(3,4-ethylenedioxythiophene)s End-Capped with Alkyl Chains","Journal of Organic Chemistry","2003","68","","5357","5360","10.1021/jo0345493","","","0.71073","MoKα","","0.1008","0.0579","","","0.1308","0.1429","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022485","12.1452","0.0009","18.5478","0.0009","12.4433","0.0009","90","","95.324","0.009","90","","2791","0.4","180","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","9-(2,6-Dimethoxy-phenyl)-1,8-dimethoxy-10-(1,2,2-trimethyl-propyl)- 9,10-dihydro-acridinium tetrafluoroborate salt","","- C29 H34 B F4 N O4 -","- C29 H34 B F4 N O4 -","- C116 H136 B4 F16 N4 O16 -","4","2","","Benoît Laleu; Christelle Herse; Bo W. Laursen; Gérald Bernardinelli; Jérôme Lacour","Bent Structure and Dynamic Stereochemistry of Chiral Acridinium Cations","Journal of Organic Chemistry","2003","68","","6304","6308","10.1021/jo0345998","","","0.71073","MoKα","","","0.038","","","","0.037","","","","","","1.498","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022486","7.4281","0.0004","22.6402","0.001","9.3855","0.0006","90","","102.078","0.008","90","","1543.45","0.16","200","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","9-(2,6-Dimethoxy-phenyl)-1,8-dimethoxy-10-(2-trans-benzyloxy-cyclopentyl)- 9,10-dihydro-acridinium tetrafluoroborate salt","","- C35 H36 B F4 N O5 -","- C35 H36 B F4 N O5 -","- C70 H72 B2 F8 N2 O10 -","2","1","","Benoît Laleu; Christelle Herse; Bo W. Laursen; Gérald Bernardinelli; Jérôme Lacour","Bent Structure and Dynamic Stereochemistry of Chiral Acridinium Cations","Journal of Organic Chemistry","2003","68","","6304","6308","10.1021/jo0345998","","","0.71073","MoKα","","","0.033","","","","0.033","","","","","","1.67","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022487","22.019","0.002","7.1094","0.001","19.993","0.002","90","","97.55","","90","","3102.6","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","rel-(6aR, 6bS, 12bS,12cR)-2,11-Dimethyl-6a,6b,12b,12c-tetrahydro- 5,8-dioxa-dibenzo[a,i]biphenylene-6,7-dione","","- C20 H16 O4 -","- C20 H16 O4 -","- C160 H128 O32 -","8","1","","Xiuling Yu; Dieter Scheller; Otto Rademacher; Thomas Wolff","Selectivity in the Photodimerization of 6-Alkylcoumarins","Journal of Organic Chemistry","2003","68","","7386","7399","10.1021/jo034627m","","","0.71073","MoKα","","0.0647","0.0489","","","0.1164","0.1314","","","","","","1.083","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022488","13.401","0.003","19.157","0.005","28.489","0.007","90","","90","","90","","7313","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H83 Br O40 -","- C48 H70 Br O40 -","- C192 H280 Br4 O160 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2173","0.1135","","","0.2754","0.3395","","","","","","0.988","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022489","13.207","0.004","18.993","0.005","28.563","0.008","90","","90","","90","","7165","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H81 N O41 -","- C48 H70.5 N O41 -","- C192 H282 N4 O164 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2194","0.1165","","","0.2778","0.349","","","","","","1.014","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022490","13.204","0.005","19.146","0.007","28.835","0.012","90","","90","","90","","7290","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H80 N0 O40 -","- C49 H71.5 O39 -","- C196 H286 O156 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2946","0.1416","","","0.3217","0.4211","","","","","","1.016","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022491","22.074","0.015","22.074","0.015","28.61","0.04","90","","90","","90","","13938","23","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C48 H80 N0 O37 Se -","- C48 H74 O37 Se -","- C384 H592 O296 Se8 -","8","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2826","0.1257","","","0.2722","0.3424","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022492","19.21","0.02","24.62","0.03","15.707","0.019","90","","109.97","0.03","90","","6982","14","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C49 H90 O45 -","- C49 H74 O44.5 -","- C196 H296 O178 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.3059","0.1248","","","0.2469","0.3366","","","","","","0.978","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022493","10.5359","0.0006","9.9811","0.0006","10.232","0.0006","90","","92.281","0.001","90","","1075.14","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Trevor C. McMorris; Qiang Cong; Michael J. Kelner","Structure-Activity Relationship Studies of Illudins: Analogues Possessing a Spiro-cyclobutane Ring","Journal of Organic Chemistry","2003","68","","9648","9653","10.1021/jo0346499","","","0.71073","MoKα","","0.0487","0.0439","","","0.1205","0.1239","","","","","","1.033","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022494","8.335","0.0003","11.7237","0.0005","13.1418","0.0005","74.742","0.001","82.351","0.001","76.111","0.001","1199.33","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","2","","Trevor C. McMorris; Qiang Cong; Michael J. Kelner","Structure-Activity Relationship Studies of Illudins: Analogues Possessing a Spiro-cyclobutane Ring","Journal of Organic Chemistry","2003","68","","9648","9653","10.1021/jo0346499","","","0.71073","MoKα","","0.0445","0.0432","","","0.1176","0.1191","","","","","","1.061","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022495","6.55","0.001","29.51","0.005","15.509","0.003","90","","99.044","0.009","90","","2960.6","0.9","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N Se -","- C15 H16 Br N Se -","- C120 H128 Br8 N8 Se8 -","8","2","","Toshiaki Murai; Akinori Fujishima; Chigusa Iwamoto; Shinzi Kato","Highly Efficient Peterson Olefination Leading to Unsaturated Selenoamides and Their Characterization","Journal of Organic Chemistry","2003","68","","7979","7982","10.1021/jo034653k","","","0.7107","MoKα","","","0.0543","","","","0.1499","","","","","","0.874","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022496","6.9511","0.0003","11.9573","0.0007","22.33","0.002","90","","90","","90","","1856","0.2","268","2","268","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C80 H136 O8 -","4","1","","I. S. Marcos; A. B. Pedrero; M. J. Sexmero; D. Diez; P. Basabe; N. García; R. F. Moro; H. B. Broughton; F. Mollinedo; J. G. Urones","Synthesis of Bioactive Sesterterpenolides from ent-Halimic Acid. 15-Epi-ent-cladocoran A and B","Journal of Organic Chemistry","2003","68","","7496","7504","10.1021/jo034663l","","","1.5418","CuKα","","0.0774","0.0325","","0.0619","0.0479","","","","0.704","0.823","0.823","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022497","10.786","0.003","12.596","0.004","14.031","0.005","90","","98.51","0.03","90","","1885.3","1","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N O4 Si -","- C17 H27 N O4 Si -","- C68 H108 N4 O16 Si4 -","4","1","","Alexander A. Tishkov; Alexey V. Lesiv; Yulya A. Khomutova; Yury A. Strelenko; Ivan D. Nesterov; Michael Yu. Antipin; Sema L. Ioffe; Scott E. Denmark","2-Silyloxy-1,2-oxazines, a New Type of Acetals of Conjugated Nitroso Alkenes","Journal of Organic Chemistry","2003","68","","9477","9480","10.1021/jo034669a","","","0.71073","MoKα","","0.0567","0.0435","","","0.1154","0.1217","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022498","7.831","0.004","8.097","0.004","11.193","0.006","87.022","0.01","71.556","0.013","85.261","0.012","670.7","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C28 H38 N2 O8 -","2","1","","Alexander A. Tishkov; Alexey V. Lesiv; Yulya A. Khomutova; Yury A. Strelenko; Ivan D. Nesterov; Michael Yu. Antipin; Sema L. Ioffe; Scott E. Denmark","2-Silyloxy-1,2-oxazines, a New Type of Acetals of Conjugated Nitroso Alkenes","Journal of Organic Chemistry","2003","68","","9477","9480","10.1021/jo034669a","","","0.71073","MoKα","","0.1148","0.0631","","","0.1461","0.1723","","","","","","0.881","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022501","5.9734","0.0001","17.1311","0.0004","9.0637","0.0002","90","","108.768","0.001","90","","878.18","0.03","200","","","","","","","","","","Local laboratory","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O7 -","- C18 H26 O7 -","- C36 H52 O14 -","2","1","","Martin G. Banwell; Alison J. Edwards; Michael Essers; Katrina A. Jolliffe","Conversion of (-)-3-Dehydroshikimic Acid into Derivatives of the (+)-Enantiomer","Journal of Organic Chemistry","2003","68","","6839","6841","10.1021/jo034689c","","","0.71073","MoKα","","","0.0299","","","","0.0354","","","","","","1.0511","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022502","8.0033","0.0014","11.559","0.003","26.542","0.005","90","","90","","90","","2455.4","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 N O6 P -","- C8 H20 N O6 P -","- C64 H160 N8 O48 P8 -","8","2","","María Ruiz; M. Carmen Fernández; Aniana Díaz; José M. Quintela; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Conjugate Addition of Lithiated Schöllkopf's Bislactim Ethers to Vinylphosphonates","Journal of Organic Chemistry","2003","68","","7634","7645","10.1021/jo034707q","","","0.71073","MoKα","","0.0548","0.0397","","","0.0813","0.0887","","","","","","1.109","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022503","11.547","0.0005","9.859","0.0005","14.029","0.0006","90","","105.41","0.003","90","","1539.67","0.12","90","0.2","90","0.2","","","","","","","synthesized by Chad A. Snyder","4","P 1 21/c 1","-P 2ybc","14","","5-(4-methoxymethyl-2,5-dimethylthiophen-3-ylmethyl)-2,2 -dimethyl[1,3]dioxane-4,6-dione","","- C15 H20 O5 S -","- C15 H20 O5 S -","- C60 H80 O20 S4 -","4","1","","Chad A. Snyder; John P. Selegue; Eniolami Dosunmu; Nathan C. Tice; Sean Parkin","C,O-Dialkylation of Meldrum's Acid: Synthesis and Reactivity of 1,3,7,7-Tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenz[f]azulen-5-one","Journal of Organic Chemistry","2003","68","","7455","7459","10.1021/jo034708i","","","0.71073","MoKα","","0.0675","0.0428","","","0.0837","0.0972","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022504","7.812","0.0006","8.776","0.0006","10.547","0.0008","106.086","0.004","94.886","0.004","108.224","0.004","648.12","0.08","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","1,3,7,7-tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenzo[f]azulen-5-one","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C28 H32 O8 S2 -","2","1","","Chad A. Snyder; John P. Selegue; Eniolami Dosunmu; Nathan C. Tice; Sean Parkin","C,O-Dialkylation of Meldrum's Acid: Synthesis and Reactivity of 1,3,7,7-Tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenz[f]azulen-5-one","Journal of Organic Chemistry","2003","68","","7455","7459","10.1021/jo034708i","","","0.71073","MoKα","","0.0496","0.0383","","","0.0856","0.0902","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022505","23.101","0.0005","5.801","0.0002","11.358","0.001","90","","99.35","0.002","90","","1501.85","0.15","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-dimethyl-6-oxo-7,8-dihydro-4H,6H- thieno[3,4-c]oxepine-7-carboxylic acid tert-butyl ester","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C60 H80 O16 S4 -","4","1","","Chad A. Snyder; John P. Selegue; Eniolami Dosunmu; Nathan C. Tice; Sean Parkin","C,O-Dialkylation of Meldrum's Acid: Synthesis and Reactivity of 1,3,7,7-Tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenz[f]azulen-5-one","Journal of Organic Chemistry","2003","68","","7455","7459","10.1021/jo034708i","","","0.71073","MoKα","","0.107","0.081","","","0.1195","0.1265","","","","","","1.225","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022506","6.0917","0.0012","15.484","0.003","9.968","0.002","90","","99.72","0.03","90","","926.7","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dimethyl-7,8-dihydro-4H-thieno[3,4-c]oxepin-6-one","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","","Chad A. Snyder; John P. Selegue; Eniolami Dosunmu; Nathan C. Tice; Sean Parkin","C,O-Dialkylation of Meldrum's Acid: Synthesis and Reactivity of 1,3,7,7-Tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenz[f]azulen-5-one","Journal of Organic Chemistry","2003","68","","7455","7459","10.1021/jo034708i","","","0.71073","MoKα","","0.0697","0.0506","","","0.1023","0.1077","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022507","9.1577","0.0003","11.0566","0.0004","15.6253","0.0006","90","","90","","90","","1582.11","0.1","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 Pd -","- C16 H26 N2 O3 Pd -","- C64 H104 N8 O12 Pd4 -","4","1","","Sunil K. Mandal; Matthew S. Sigman","Palladium-Catalyzed Aerobic Oxidative Kinetic Resolution of Alcohols with an Achiral Exogenous Base","Journal of Organic Chemistry","2003","68","","7535","7537","10.1021/jo034717r","","","0.71073","MoKα","","0.0297","0.0272","","","0.0624","0.064","","","","","","1.107","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022508","13.6705","0.0006","6.4311","0.0003","14.8119","0.0006","90","","102.963","0.001","90","","1269.02","0.1","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-bis-(mesitylethenyl)-2,3,5,6-tetramethylbenzene","","- C32 H38 -","- C32 H38 -","- C64 H76 -","2","0.5","","Carmine Coluccini; Stefano Grilli; Lodovico Lunazzi; Andrea Mazzanti","Conformational Studies by Dynamic NMR. 94. Cogwheel Pathway for the Stereomutations of Durene Derivatives Containing the Mesityl Ring","Journal of Organic Chemistry","2003","68","","7266","7273","10.1021/jo034737t","","","0.71073","MoKα","","0.0837","0.0582","","","0.1849","0.1994","","","","","","1.125","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022509","9.3293","0.0002","15.7444","0.0004","17.1152","0.0004","81.621","0.001","86.524","0.001","73.476","0.001","2383.92","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-bis-(mesitoyl)-2,3,5,6-tetramethylbenzene","","- C30 H34 O2 -","- C30 H34 O2 -","- C120 H136 O8 -","4","2","","Carmine Coluccini; Stefano Grilli; Lodovico Lunazzi; Andrea Mazzanti","Conformational Studies by Dynamic NMR. 94. Cogwheel Pathway for the Stereomutations of Durene Derivatives Containing the Mesityl Ring","Journal of Organic Chemistry","2003","68","","7266","7273","10.1021/jo034737t","","","0.71073","MoKα","","0.0544","0.045","","","0.1218","0.13","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022510","8.4917","0.0004","8.6147","0.0004","9.2869","0.0005","66.874","0.001","84.162","0.001","76.785","0.001","608.18","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-bis-(mesitoyl)-2,3,5,6-tetramethylbenzene","","- C30 H34 O2 -","- C30 H34 O2 -","- C30 H34 O2 -","1","0.5","","Carmine Coluccini; Stefano Grilli; Lodovico Lunazzi; Andrea Mazzanti","Conformational Studies by Dynamic NMR. 94. Cogwheel Pathway for the Stereomutations of Durene Derivatives Containing the Mesityl Ring","Journal of Organic Chemistry","2003","68","","7266","7273","10.1021/jo034737t","","","0.71073","MoKα","","0.0653","0.0586","","","0.1715","0.1813","","","","","","1.06","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022511","18.601","0.013","6.823","0.002","15.622","0.007","90","","124.96","0.04","90","","1624.9","1.4","293","2","293","2","","","","","","","synthesized by the authors, see text","4","C 1 2 1","C 2y","5","(3S,5R,8S)-methyl 3-[N-(Boc)] amino-1-azabicyclo[3.3.0]octan-2-one 8-carboxylate","","","- C14 H22 N2 O5 -","- C14 H22 N2 O5 -","- C56 H88 N8 O20 -","4","1","","Evelyne Dietrich; William D. Lubell","Efficient Synthesis of Enantiopure Pyrrolizidinone Amino Acid","Journal of Organic Chemistry","2003","68","","6988","6996","10.1021/jo034739d","","","1.54056","CuKα","","0.0594","0.0472","","0.1134","","0.1091","","","0.847","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022512","6.3159","0.0006","10.5969","0.001","16.9425","0.0017","74.183","0.002","88.992","0.002","85.741","0.002","1087.99","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","4,5:4',5'-Bis(bicyclo[2.2.2]octeno)-2,2'-bithiophene","","","- C27 H30 S2 -","- C27 H30 S2 -","- C54 H60 S4 -","2","1","","Atsushi Wakamiya; Daisuke Yamazaki; Tohru Nishinaga; Toshikazu Kitagawa; Koichi Komatsu","Synthesis and Properties of Novel Oligothiophenes Surrounded by Bicyclo[2.2.2]octene Frameworks","Journal of Organic Chemistry","2003","68","","8305","8314","10.1021/jo034754i","","","0.71073","MoKα","","0.068","0.0537","","","0.1493","0.1605","","","","","","1.05","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022513","13.1988","0.0008","10.1717","0.0007","17.8654","0.0011","90","","96.436","0.002","90","","2383.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bis(bicyclo[2.2.2]octeno)bicyclo[2.2.2]octanoterthiophene","","","- C30 H32 S3 -","- C30 H32 S3 -","- C120 H128 S12 -","4","1","","Atsushi Wakamiya; Daisuke Yamazaki; Tohru Nishinaga; Toshikazu Kitagawa; Koichi Komatsu","Synthesis and Properties of Novel Oligothiophenes Surrounded by Bicyclo[2.2.2]octene Frameworks","Journal of Organic Chemistry","2003","68","","8305","8314","10.1021/jo034754i","","","0.71073","MoKα","","0.0536","0.0392","","","0.0843","0.0879","","","","","","0.927","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022514","8.5907","0.0018","9.505","0.002","12.059","0.003","93.242","0.004","107.154","0.004","102.644","0.004","910.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,5'-Dibromo-3,4:3',4'-bis(bicyclo[2.2.2]octano)- 2,2'-bithiophene","","- C20 H20 Br2 S2 -","- C20 H20 Br2 S2 -","- C40 H40 Br4 S4 -","2","1","","Atsushi Wakamiya; Daisuke Yamazaki; Tohru Nishinaga; Toshikazu Kitagawa; Koichi Komatsu","Synthesis and Properties of Novel Oligothiophenes Surrounded by Bicyclo[2.2.2]octene Frameworks","Journal of Organic Chemistry","2003","68","","8305","8314","10.1021/jo034754i","","","0.71073","MoKα","","0.0919","0.0622","","","0.1648","0.1814","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022515","17.628","0.003","17.628","0.003","23.372","0.005","90","","90","","90","","7262.5","2.4","143","1","143","2","","","","","","","","6","I 41/a :2","-I 4ad","88","meso-tetra-(4-methoxycarbonyl-phenyl)tetranaphthaloporphyrin","","","- C86 H56 Cl4 N4 O8 Pd -","- C84 H52 N4 O8 Pd -","- C336 H208 N16 O32 Pd4 -","4","0.25","","Olga S. Finikova; Andrei V. Cheprakov; Patrick J. Carroll; Sergei A. Vinogradov","Novel Route to Functionalized Tetraaryltetra[2,3]naphthaloporphyrins via Oxidative Aromatization","Journal of Organic Chemistry","2003","68","","7517","7520","10.1021/jo0347819","","","0.71069","MoKα","","0.09","0.0817","","0.2624","0.2561","","","","0.884","0.919","0.919","","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022516","12.6576","0.0012","12.9646","0.0012","14.7179","0.0014","64.575","0.002","80.253","0.002","80.547","0.002","2138.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H40 O12 -","- C41 H59 O17 -","- C82 H118 O34 -","2","1","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.1939","0.074","","","0.1439","0.1933","","","","","","0.925","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022517","11.663","0.003","14.711","0.003","15.699","0.003","98.691","0.004","91.894","0.004","102.227","0.004","2596.2","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","resorcinarene","","","- C62 H63 O10 -","- C62 H63 O10 -","- C124 H126 O20 -","2","1","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.2287","0.0684","","","0.1162","0.1644","","","","","","0.926","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022518","11.4558","0.001","11.6273","0.001","18.6627","0.0016","102.785","0.002","90.042","0.002","102.881","0.002","2360","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","resorcinarene","","","- C46 H59 N3 O17 -","- C46 H59 N3 O16.8 -","- C92 H118 N6 O33.6 -","2","1","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.0909","0.062","","","0.1786","0.2055","","","","","","1.057","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022519","16.26","0.04","24.57","0.07","22.96","0.06","90","","93.32","0.06","90","","9155","44","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrrogallolarene","","","- C43.4 H49.5 Cl0.5 O16.35 -","- C43.4 H49.5 Cl0.5 O16.35 -","- C347.2 H396 Cl4 O130.8 -","8","2","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.2701","0.0943","","","0.2404","0.3363","","","","","","0.923","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022520","14.5152","0.0009","14.5152","0.0009","9.3463","0.0008","90","","90","","90","","1969.2","0.2","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","resorcinarene","","","- C42 H51 N O9 -","- C42 H51 N O9 -","- C84 H102 N2 O18 -","2","0.25","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.0677","0.059","","","0.1737","0.1842","","","","","","1.052","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022521","11.157","0.003","16.173","0.004","23.393","0.007","108.866","0.016","91.142","0.012","96.117","0.014","3964.9","1.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","pyrrogallolarene","","","- C80 H136 O11 -","- C80 H136 O16 -","- C160 H272 O32 -","2","1","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.0864","0.058","","","0.1396","0.1583","","","","","","1.037","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022522","6.6176","0.0005","15.4827","0.0011","10.5353","0.0008","90","","96.145","0.001","90","","1073.23","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 O3 P Se -","- C9 H11 O3 P Se -","- C36 H44 O12 P4 Se4 -","4","1","","Chrystel Lopin; Géraldine Gouhier; Arnaud Gautier; Serge R. Piettre","Phosphonyl, Phosphonothioyl, Phosphonodithioyl, and Phosphonotrithioyl Radicals: Generation and Study of Their Addition onto Alkenes","Journal of Organic Chemistry","2003","68","","9916","9923","10.1021/jo0348064","","","0.71073","MoKα","","0.0283","0.0251","","","0.068","0.0689","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022523","10.1506","0.0008","7.3041","0.0006","17.0346","0.0014","90","","105.77","0.001","90","","1215.42","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 O P S2 Se -","- C9 H11 O P S2 Se -","- C36 H44 O4 P4 S8 Se4 -","4","1","","Chrystel Lopin; Géraldine Gouhier; Arnaud Gautier; Serge R. Piettre","Phosphonyl, Phosphonothioyl, Phosphonodithioyl, and Phosphonotrithioyl Radicals: Generation and Study of Their Addition onto Alkenes","Journal of Organic Chemistry","2003","68","","9916","9923","10.1021/jo0348064","","","0.71073","MoKα","","0.0316","0.0284","","","0.0747","0.0759","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022524","8.274","0.0006","12.801","0.01","12.387","0.01","90","","99.98","0.01","90","","1292.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 P S3 Se -","- C9 H11 P S3 Se -","- C36 H44 P4 S12 Se4 -","4","1","","Chrystel Lopin; Géraldine Gouhier; Arnaud Gautier; Serge R. Piettre","Phosphonyl, Phosphonothioyl, Phosphonodithioyl, and Phosphonotrithioyl Radicals: Generation and Study of Their Addition onto Alkenes","Journal of Organic Chemistry","2003","68","","9916","9923","10.1021/jo0348064","","","0.71073","MoKα","","0.0332","0.0287","","","0.0769","0.0787","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022525","9.4802","0.0005","19.4176","0.0011","26.1541","0.0016","90","","100.369","0.001","90","","4735.9","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H11 O2 P S Se -","- C9 H11 O2 P S Se -","- C144 H176 O32 P16 S16 Se16 -","16","8","","Chrystel Lopin; Géraldine Gouhier; Arnaud Gautier; Serge R. Piettre","Phosphonyl, Phosphonothioyl, Phosphonodithioyl, and Phosphonotrithioyl Radicals: Generation and Study of Their Addition onto Alkenes","Journal of Organic Chemistry","2003","68","","9916","9923","10.1021/jo0348064","","","0.71073","MoKα","","0.1149","0.0432","","","0.0628","0.0712","","","","","","0.722","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022526","9.628","0.006","10.488","0.003","10.403","0.004","90","","115.45","0.04","90","","948.5","0.7","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Chai Ling Fan; Wei-Der Lee; Nai-Wei Teng; Ying-Chieh Sun; Kwunmin Chen","Epoxidation of Chiral Camphor N-Enoylpyrazolidinones with Methyl(trifluoromethyl)dioxirane and Urea Hydrogen Peroxide/ Acid Anhydride: Reversal of Stereoselectivity","Journal of Organic Chemistry","2003","68","","9816","9818","10.1021/jo034807w","","","0.7093","MolybdenumKα","","0.107","0.047","","0.098","0.048","","","","","1.04","1.04","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022527","10.6118","0.0003","10.6555","0.0003","17.8821","0.0007","90","","90","","90","","2022","0.11","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","1","","Chai Ling Fan; Wei-Der Lee; Nai-Wei Teng; Ying-Chieh Sun; Kwunmin Chen","Epoxidation of Chiral Camphor N-Enoylpyrazolidinones with Methyl(trifluoromethyl)dioxirane and Urea Hydrogen Peroxide/ Acid Anhydride: Reversal of Stereoselectivity","Journal of Organic Chemistry","2003","68","","9816","9818","10.1021/jo034807w","","","0.71073","MoKα","","0.071","0.05","","0.096","0.091","0.091","","","1.721","1.62","1.62","1.616","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022528","10.1762","0.0002","16.5343","0.0004","22.069","0.0007","90","","91.8689","0.0008","90","","3711.3","0.2","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C160 H192 N16 O24 -","8","4","","Chai Ling Fan; Wei-Der Lee; Nai-Wei Teng; Ying-Chieh Sun; Kwunmin Chen","Epoxidation of Chiral Camphor N-Enoylpyrazolidinones with Methyl(trifluoromethyl)dioxirane and Urea Hydrogen Peroxide/ Acid Anhydride: Reversal of Stereoselectivity","Journal of Organic Chemistry","2003","68","","9816","9818","10.1021/jo034807w","","","0.71073","MoKα","","0.085","0.056","","0.1","0.092","0.091","","","1.911","1.906","1.906","1.87","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022529","7.4362","0.0004","12.0213","0.0006","20.2975","0.001","90","","90.725","0.001","90","","1814.31","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","","Peter Wipf; Thomas H. Graham","Photoactivated Tungsten Hexacarbonyl-Catalyzed Conversion of Alkynols to Glycals","Journal of Organic Chemistry","2003","68","","8798","8807","10.1021/jo034813s","","","0.71073","MoKα","","0.0748","0.0563","","","0.1424","0.1542","","","","","","1.174","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022530","4.47","0.0006","23.896","0.003","9.34","0.0013","90","","99.376","0.007","90","","984.3","0.2","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","","Marcus H. Holschbach; Dionisia Sanz; Rosa M. Claramunt; Lourdes Infantes; Sam Motherwell; Paul R. Raithby; María Luisa Jimeno; David Herrero; Ibon Alkorta; Nadine Jagerovic; José Elguero","Structure of a 4-Nitroso-5-aminopyrazole and Its Salts: Tautomerism, Protonation, and E/Z Isomerism","Journal of Organic Chemistry","2003","68","","8831","8837","10.1021/jo034833u","","","0.71073","MoKα","","0.0564","0.0461","","","0.1022","0.1078","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022531","9.345","0.003","11.447","0.004","13.661","0.005","90","","109.105","0.006","90","","1380.9","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 28","Bis-2(1H)-Pyridinethione Zinc Dichloride Complex","","- C10 H10 Cl2 N2 S2 Zn -","- C10 H10 Cl2 N2 S2 Zn -","- C40 H40 Cl8 N8 S8 Zn4 -","4","0.5","","John Y. L. Chung; Raymond J. Cvetovich; Fuh-Rong Tsay; Peter G. Dormer; Lisa DiMichele; David J. Mathre; Jennifer R. Chilenski; Bing Mao; Robert Wenslow","Synthesis of 3-Aminopyrazinone Mediated by 2-Pyridylthioimidate-ZnCl~2~ Complexes. Development of an Efficient Route to a Thrombin Inhibitor","Journal of Organic Chemistry","2003","68","","8838","8846","10.1021/jo034835e","","","0.71073","MoKα","","0.0368","0.0336","","","0.0839","0.0852","","","","","","0.996","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022532","15.959","0.007","14.202","0.006","8.757","0.004","90","","91.41","0.009","90","","1984.2","1.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 31","[2-oxo-3-(pyridin-2-ylthio)pyrazin-1(2H)-yl]acetate Zinc Dichloride Complex","","- C15 H16 Cl2 N4 O3 S Zn -","- C15 H16 Cl2 N4 O3 S Zn -","- C60 H64 Cl8 N16 O12 S4 Zn4 -","4","1","","John Y. L. Chung; Raymond J. Cvetovich; Fuh-Rong Tsay; Peter G. Dormer; Lisa DiMichele; David J. Mathre; Jennifer R. Chilenski; Bing Mao; Robert Wenslow","Synthesis of 3-Aminopyrazinone Mediated by 2-Pyridylthioimidate-ZnCl~2~ Complexes. Development of an Efficient Route to a Thrombin Inhibitor","Journal of Organic Chemistry","2003","68","","8838","8846","10.1021/jo034835e","","","0.71073","MoKα","","0.0776","0.0528","","","0.124","0.1453","","","","","","0.911","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022533","15.625","0.0008","5.9354","0.0003","17.382","0.001","90","","106.929","0.002","90","","1542.2","0.1","296.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Koji Miki; Kouichi Ohe; Sakae Uemura","Ruthenium-Catalyzed Cyclopropanation of Alkenes Using Propargylic Carboxylates as Precursors of Vinylcarbenoids","Journal of Organic Chemistry","2003","68","","8505","8513","10.1021/jo034841a","","","0.7107","MoKα","","","0.046","","","","0.043","","","","","","1.719","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022534","8.1159","0.0007","9.33","0.001","10.3661","0.0008","90","","97.6","0.008","90","","778","0.1","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C38 H36 O4 -","2","1","","Koji Miki; Kouichi Ohe; Sakae Uemura","Ruthenium-Catalyzed Cyclopropanation of Alkenes Using Propargylic Carboxylates as Precursors of Vinylcarbenoids","Journal of Organic Chemistry","2003","68","","8505","8513","10.1021/jo034841a","","","0.7107","MoKα","","","0.042","","","","0.048","","","","","","3.433","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022535","12.282","0.002","15.821","0.002","11.963","0.002","104.43","0.01","108.27","0.01","101.63","0.01","2036.7","0.6","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 B2 F8 O4 Se2 -","- C18 H19 B F4 O2 Se -","- C72 H76 B4 F16 O8 Se4 -","4","2","","Hironori Kinoshita; Takashi Osamura; Sayaka Kinoshita; Tatsunori Iwamura; Shin-ichi Watanabe; Tadashi Kataoka; Genzoh Tanabe; Osamu Muraoka","Chalcogeno-Morita-Baylis-Hillman Reaction of Enones with Acetals: Simple α-Alkoxyalkylation of Enones","Journal of Organic Chemistry","2003","68","","7532","7534","10.1021/jo0348470","","","0.7107","MoKα","","","0.0628","","","","0.1043","","","","","","1.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022536","9.9807","0.0014","11.181","0.0014","11.4716","0.0015","90","","110.209","0.003","90","","1201.4","0.3","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 N O4 -","- C11 H17 N O4 -","- C44 H68 N4 O16 -","4","1","","Grant R. Krow; Guoliang Lin; Seth B. Herzon; Andrew M. Thomas; Keith P. Moore; Qiuli Huang; Patrick J. Carroll","Convenient Preparations of 2,4-Methanopyrrolidine and 5-Carboxy-2,4-methanopyrrolidines","Journal of Organic Chemistry","2003","68","","7562","7564","10.1021/jo0348672","","","0.7107","MoKα","","0.0421","0.0383","","","0.0945","0.0976","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022537","20.437","0.004","20.437","0.0004","16.81","0.003","90","","90","","90","","7021","1.9","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","calixarene","","","- C30 H31 F3 O5 -","- C30 H31 F3 O5 -","- C240 H248 F24 O40 -","8","1","","Noa Seri; Samah Simaan; Mark Botoshansky; Menahem Kaftory; Silvio E. Biali","A Conformationally Flexible Tetrahydroxycalix[4]arene Adopting the Unusual 1,3-Alternate Conformation","Journal of Organic Chemistry","2003","68","","7140","7142","10.1021/jo034874q","","","0.71073","MoKα","","0.255","0.1638","","","0.3796","0.4081","","","","","","2.122","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022538","8.7197","0.0005","11.5542","0.0005","22.8721","0.0014","90","","99.33","0.007","90","","2273.9","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 F6 N6 P -","- C20 H27 F6 N6 P -","- C80 H108 F24 N24 P4 -","4","1","","Volker Raab; Klaus Harms; Jörg Sundermeyer; Borislav Kovačevič; Zvonimir B. Maksič","1,8-Bis(dimethylethyleneguanidino)naphthalene: Tailoring the Basicity of Bisguanidine ""Proton Sponges"" by Experiment and Theory","Journal of Organic Chemistry","2003","68","","8790","8797","10.1021/jo034906+","","","0.71073","MoKα","","0.0593","0.0389","","","0.0985","0.1053","","","","","","1.017","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022539","6.326","0.0007","8.8945","0.001","16.7124","0.0018","81.957","0.002","85.111","0.002","77.68","0.002","908.17","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O7 S -","- C16 H21 N O7 S -","- C32 H42 N2 O14 S2 -","2","1","","Jun-Wei Shen; Dong-Guang Qin; Hong-Wang Zhang; Zhu-Jun Yao","Studies on the Synthesis of (2S,3R)-3-Hydroxy-3-methylproline via C~2~-N Bond Formation","Journal of Organic Chemistry","2003","68","","7479","7484","10.1021/jo0349328","","","0.71073","MoKα","","0.0735","0.0452","","","0.0963","0.1057","","","","","","0.873","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022540","7.528","0.002","27.765","0.005","8.662","0.002","90","0.01","112.3","0.02","90","0.02","1675.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-dimethyl-(1-toluene-4sulphonyl)-1,2,3,4,5,6-hexahydro[1]pyrindin-7-one","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Ernesto G. Occhiato; Cristina Prandi; Alessandro Ferrali; Antonio Guarna; Paolo Venturello","New Synthetic Approach to Cyclopenta-Fused Heterocycles Based upon a Mild Nazarov Reaction","Journal of Organic Chemistry","2003","68","","9728","9741","10.1021/jo034939p","","","0.71069","MoKα","","0.1036","0.0503","","","0.1161","0.1378","","","","","","1.048","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022541","16.1985","0.0017","8.4695","0.0006","15.9185","0.0012","90","","110.969","0.001","90","","2039.3","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Adrian P. Dobbs; Sebastien J. J. Guesné; Saša Martinovič; Simon J. Coles; Michael B. Hursthouse","A Versatile Indium Trichloride Mediated Prins-Type Reaction to Unsaturated Heterocycles","Journal of Organic Chemistry","2003","68","","7880","7883","10.1021/jo034981k","","","0.71073","MoKα","","0.1512","0.0941","","","0.2441","0.275","","","","","","1.043","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022542","28.3055","0.0003","6.2688","0.0001","21.0333","0.0003","90","","122.44","0.001","90","","3149.79","0.08","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N -","- C20 H23 N -","- C160 H184 N8 -","8","1","","Adrian P. Dobbs; Sebastien J. J. Guesné; Saša Martinovič; Simon J. Coles; Michael B. Hursthouse","A Versatile Indium Trichloride Mediated Prins-Type Reaction to Unsaturated Heterocycles","Journal of Organic Chemistry","2003","68","","7880","7883","10.1021/jo034981k","","","0.71073","MoKα","","0.0433","0.0379","","","0.1007","0.106","","","","","","0.967","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022543","6.5719","0.0006","9.6793","0.0005","10.2878","0.0005","90","","99.94","0.006","90","","644.6","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S,4R) 3,4-O-isopropylidene-2-phenyl-tetrahydrofuran-3,4-diol","","- C11 H18 O3 S2 -","- C11 H18 O3 S2 -","- C22 H36 O6 S4 -","2","1","","Jason L. McCartney; Christopher T. Meta; Robert M. Cicchillo; Matthew D. Bernardina; Timothy R. Wagner; Peter Norris","Addition of Lithiated C-Nucleophiles to 2,3-O-Isopropylidene-D-erythronolactone: Stereoselective Formation of a Furanose C-Disaccharide","Journal of Organic Chemistry","2003","68","","10152","10155","10.1021/jo0350256","","","1.54178","CuKα","","0.0309","0.0305","","","0.0791","0.08","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022544","11.2692","0.0007","12.047","0.0008","13.1347","0.0007","103.642","0.004","103.931","0.004","102.788","0.004","1607.11","0.17","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H34 O10 -","- C40 H34 O10 -","- C80 H68 O20 -","2","1","","Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold","Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions","Journal of Organic Chemistry","2003","68","","8539","8544","10.1021/jo035057t","","","0.71073","MoKα","","0.0755","0.0516","","","0.1345","0.1474","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022545","12.296","0.0007","14.3164","0.0009","18.0668","0.0011","90","","90","","90","","3180.4","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 O8 -","- C40 H34 O8 -","- C160 H136 O32 -","4","1","","Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold","Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions","Journal of Organic Chemistry","2003","68","","8539","8544","10.1021/jo035057t","","","0.71073","MoKα","","0.0477","0.0362","","","0.0714","0.0738","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022546","10.8059","0.0019","13.875","0.003","19.881","0.004","90","","97.165","0.004","90","","2957.7","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl2 O8 -","- C35 H30 Cl2 O8 -","- C140 H120 Cl8 O32 -","4","1","","Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold","Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions","Journal of Organic Chemistry","2003","68","","8539","8544","10.1021/jo035057t","","","0.71073","MoKα","","0.1035","0.0836","","","0.2709","0.3134","","","","","","1.789","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022547","12.5856","0.0006","13.9391","0.0007","17.2984","0.0009","90","","102.328","0.001","90","","2964.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 O9 -","- C38 H32 O9 -","- C152 H128 O36 -","4","1","","Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold","Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions","Journal of Organic Chemistry","2003","68","","8539","8544","10.1021/jo035057t","","","0.71073","MoKα","","0.0548","0.0442","","","0.1198","0.1268","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022548","14.802","0.002","16.017","0.002","17.246","0.002","90","","113.003","0.002","90","","3763.5","0.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 O12 -","- C40 H34 O10 -","- C160 H136 O40 -","4","1","","Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold","Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions","Journal of Organic Chemistry","2003","68","","8539","8544","10.1021/jo035057t","","","0.71073","MoKα","","0.0879","0.065","","","0.1742","0.1872","","","","","","1.203","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022549","16.161","0.009","17.821","0.016","13.764","0.009","90","","90","","90","","3964","5","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C192 H192 O32 -","8","0.5","","Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez","Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate","Journal of Organic Chemistry","2003","68","","8715","8718","10.1021/jo035062x","","","0.71069","MoKα","","0.1928","0.0495","","","0.1401","0.1986","","","","","","0.817","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022550","12.707","0.004","13.653","0.002","19.07","0.02","90","","90","","90","","3308","4","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C16 H20 O8 -","- C16 H20 O8 -","- C128 H160 O64 -","8","0.25","","Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez","Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate","Journal of Organic Chemistry","2003","68","","8715","8718","10.1021/jo035062x","","","0.71069","MoKα","","0.1246","0.0509","","","0.1212","0.1477","","","","","","0.994","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022551","8.572","0.001","11.57","0.001","16.588","0.001","90","","90","0.001","90","","1645.2","0.3","293","2","293","2","","","","","","","","3","P c a n","-P 2n 2c","60","","","","- C16 H22 O8 -","- C16 H22 O8 -","- C64 H88 O32 -","4","0.5","","Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez","Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate","Journal of Organic Chemistry","2003","68","","8715","8718","10.1021/jo035062x","","","0.71069","MoKα","","0.0673","0.0458","","","0.1127","0.1216","","","","","","1.129","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022552","9.356","0.001","13.791","0.001","15.633","0.001","90","","109.858","0.001","90","","1897.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez","Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate","Journal of Organic Chemistry","2003","68","","8715","8718","10.1021/jo035062x","","","0.71069","MoKα","","0.0723","0.0558","","","0.1425","0.1538","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022553","35.395","0.004","5.984","0.001","16.147","0.002","90","","90","","90","","3420","0.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Ethoxycarbonyl-3-(4-methylphenyl)-1H-indene-1-spirocyclopropane","","- C21 H20 O2 -","- C21 H20 O2 -","- C168 H160 O16 -","8","2","","Andrea Cappelli; Gal.la Pericot Mohr; Maurizio Anzini; Salvatore Vomero; Alessandro Donati; Mario Casolaro; Raniero Mendichi; Gianluca Giorgi; Francesco Makovec","Synthesis and Characterization of a New Benzofulvene Polymer Showing a Thermoreversible Polymerization Behavior","Journal of Organic Chemistry","2003","68","","9473","9476","10.1021/jo035104h","","","0.71073","MoKα","","0.1519","0.063","","","0.1165","0.1514","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022554","5.805","0.001","10.231","0.001","15.015","0.001","76.63","","84.39","0.01","77.47","0.01","845.86","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)-1H-indene-2-carboxylate","","- C20 H20 O3 -","- C20 H20 O3 -","- C40 H40 O6 -","2","1","","Andrea Cappelli; Gal.la Pericot Mohr; Maurizio Anzini; Salvatore Vomero; Alessandro Donati; Mario Casolaro; Raniero Mendichi; Gianluca Giorgi; Francesco Makovec","Synthesis and Characterization of a New Benzofulvene Polymer Showing a Thermoreversible Polymerization Behavior","Journal of Organic Chemistry","2003","68","","9473","9476","10.1021/jo035104h","","","0.71073","MoKα","","0.06","0.0494","","","0.1282","0.1374","","","","","","1.032","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022555","8.903","0.001","8.993","0.001","10.927","0.001","110.05","0.01","95.09","0.01","109.17","","756.03","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 3-(4-methylphenyl)-1-oxo-1H-indene-2-carboxylate","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","","Andrea Cappelli; Gal.la Pericot Mohr; Maurizio Anzini; Salvatore Vomero; Alessandro Donati; Mario Casolaro; Raniero Mendichi; Gianluca Giorgi; Francesco Makovec","Synthesis and Characterization of a New Benzofulvene Polymer Showing a Thermoreversible Polymerization Behavior","Journal of Organic Chemistry","2003","68","","9473","9476","10.1021/jo035104h","","","0.71073","MoKα","","0.0517","0.0413","","","0.1053","0.1132","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022556","16.3155","0.0003","17.4682","0.0003","21.2009","0.0005","91.986","0.005","95.875","0.005","98.608","0.005","5935.2","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C132 H127 Cl N8 Ni2 O7 -","- C131.5 H94 Cl N8 Ni2 O6.5 -","- C263 H188 Cl2 N16 Ni4 O13 -","2","1","","Sébastien Richeter; Christophe Jeandon; Nathalie Kyritsakas; Romain Ruppert; Henry J. Callot","Preparation of Six Isomeric Bis-acylporphyrins with Chromophores Reaching the Near-Infrared via Intramolecular Friedel-Crafts Reaction","Journal of Organic Chemistry","2003","68","","9200","9208","10.1021/jo035108m","","","0.71073","Mo-Kα","","0.192","0.101","","0.568","","0.134","","","6.95","","","1.263","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022557","13.5849","0.0003","21.3481","0.0007","13.4647","0.0003","90","","107.705","0.005","90","","3720","0.4","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H20 Cl4 N4 Ni O2 -","- C46 H20 Cl4 N4 Ni O2 -","- C184 H80 Cl16 N16 Ni4 O8 -","4","1","","Sébastien Richeter; Christophe Jeandon; Nathalie Kyritsakas; Romain Ruppert; Henry J. Callot","Preparation of Six Isomeric Bis-acylporphyrins with Chromophores Reaching the Near-Infrared via Intramolecular Friedel-Crafts Reaction","Journal of Organic Chemistry","2003","68","","9200","9208","10.1021/jo035108m","","","0.71073","Mo-Kα","","0.073","0.035","","0.141","","0.054","","","2.787","","","1.013","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022558","19.0333","0.001","19.0258","0.0011","28.1843","0.0013","90","","90","","90","","10206.2","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C58 H65 I O5 -","- C58 H60.5 I O5 -","- C464 H484 I8 O40 -","8","2","","Arjan W. Kleij; Beatriz Souto; César J. Pastor; Pilar Prados; Javier de Mendoza","Unexpected Single-Step Formation of 1,2-anti-Heterodisubstituted Calix[4]arenes upon Alkylation of a Tribenzoyl Precursor","Journal of Organic Chemistry","2003","68","","8711","8714","10.1021/jo035150h","","","1.54178","CuKα","","0.1759","0.0696","","","0.1606","0.2082","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022559","10.06","0.0004","12.5603","0.0004","17.5682","0.0006","93.966","0.001","93.777","0.001","96.381","0.001","2194.76","0.13","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H50 N2 O10 -","- C56 H50 N2 O10 -","- C112 H100 N4 O20 -","2","1","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.073","0.0481","","","0.1156","0.1255","","","","","","1.03","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022560","19.813","0.003","20.818","0.002","21.366","0.003","90","","92.345","0.004","90","","8805.4","1.7","90","1","90","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H49.5 N2 O10 -","- C56 H49.5 N2 O10 -","- C448 H396 N16 O80 -","8","2","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.1452","0.0921","","","0.2402","0.2874","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022561","13.4358","0.0005","13.735","0.0005","16.6613","0.0006","93.192","0.001","100.527","0.001","103.187","0.001","2927.96","0.19","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C72 H68 N4 O11 -","- C72 H68 N4 O11 -","- C144 H136 N8 O22 -","2","1","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.0967","0.0477","","","0.109","0.1261","","","","","","0.904","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022562","12.931","0.0003","14.907","0.0003","16.7803","0.0004","99.519","0.001","91.984","0.001","98.532","0.001","3148.96","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H66 N4 O12 -","- C70 H52 N4 O12 -","- C140 H104 N8 O24 -","2","1","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.2296","0.1236","","","0.3105","0.3455","","","","","","1.529","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022563","11.1489","0.0013","22.831","0.003","13.336","0.0013","90","","103.368","0.003","90","","3302.6","0.6","90","1","90","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C76 H75 N8 O11 -","- C76 H75 N8 O11 -","- C152 H150 N16 O22 -","2","0.5","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.0851","0.0633","","","0.1564","0.1759","","","","","","1.057","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022564","13.9383","0.0015","14.215","0.0013","30.064","0.003","90","","92.134","0.004","90","","5952.5","1.1","90","1","90","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H70 N4 O10 -","- C74 H70 N4 O10 -","- C296 H280 N16 O40 -","4","1","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.2797","0.0802","","","0.1834","0.2625","","","","","","0.846","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022565","29.73","0.016","4.577","0.002","13.538","0.007","90","","113.915","0.008","90","","1684.2","1.5","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Methoxy-4-N-isopropylhydroxylaminocyclobut-3-ene-1,2-dione","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C64 H88 N8 O32 -","8","1","","Nathaniel C. Lim; Martha D. Morton; Hilary A. Jenkins; Christian Brückner","Squaric Acid N-Hydroxylamides: Synthesis, Structure, and Properties of Vinylogous Hydroxamic Acid Analogues","Journal of Organic Chemistry","2003","68","","9233","9241","10.1021/jo035175g","","","0.71073","MoKα","","0.0724","0.0449","","","0.121","0.1336","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022566","12.4038","0.0012","8.6745","0.0008","13.2282","0.0012","90","","96.336","0.002","90","","1414.6","0.2","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Morpholino-4-N-cyclohexylhydroxylaminocyclobut-3-ene-1,2-dione","","- C14 H20 N2 O4 -","- C14 H20 N2 O4 -","- C56 H80 N8 O16 -","4","1","","Nathaniel C. Lim; Martha D. Morton; Hilary A. Jenkins; Christian Brückner","Squaric Acid N-Hydroxylamides: Synthesis, Structure, and Properties of Vinylogous Hydroxamic Acid Analogues","Journal of Organic Chemistry","2003","68","","9233","9241","10.1021/jo035175g","","","0.71073","MoKα","","0.0648","0.046","","","0.1287","0.1355","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022567","11.1898","0.0006","10.3671","0.0006","12.3862","0.0007","90","","115.603","0.001","90","","1295.78","0.13","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H38 O5 S -","- C27 H38 O5 S -","- C54 H76 O10 S2 -","2","1","","Pierre Soucy; Alexandre L'Heureux; András Toró; Pierre Deslongchamps","Pyranophane Transannular Diels-Alder Approach to (+)-Chatancin: A Biomimetic Asymmetric Total Synthesis","Journal of Organic Chemistry","2003","68","","9983","9987","10.1021/jo035193y","","","0.71073","MoKα","","0.0257","0.0242","","","0.063","0.0641","","","","","","1.082","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022568","6.529","0.002","15.272","0.004","13.117","0.004","90","","102.144","0.006","90","","1278.7","0.6","143","1","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 I N -","- C11 H22 I N -","- C44 H88 I4 N4 -","4","1","","Gary A. Molander; Shawn K. Pack","Determining the Scope of the Organolanthanide-Catalyzed, Sequential Intramolecular Amination/Cyclization Reaction: Formation of Substituted Quinolizidines, Indolizidines, and Pyrrolizidines","Journal of Organic Chemistry","2003","68","","9214","9220","10.1021/jo035205f","","","0.71069","MoKα","","0.0629","0.0454","","0.0717","0.0677","","","","1.111","1.154","1.154","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022569","10.515","0.003","7.061","0.002","16.081","0.004","90","","97.273","0.005","90","","1184.4","0.5","143","1","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 Cl N -","- C11 H22 Cl N -","- C44 H88 Cl4 N4 -","4","1","","Gary A. Molander; Shawn K. Pack","Determining the Scope of the Organolanthanide-Catalyzed, Sequential Intramolecular Amination/Cyclization Reaction: Formation of Substituted Quinolizidines, Indolizidines, and Pyrrolizidines","Journal of Organic Chemistry","2003","68","","9214","9220","10.1021/jo035205f","","","0.71069","MoKα","","0.0415","0.0336","","0.0948","0.0918","","","","1.068","1.125","1.125","","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022570","20.349","0.005","14.534","0.003","7.515","0.002","90","","90","","90","","2222.7","0.9","143","1","143","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H20 Cl N -","- C10 H20 Cl N -","- C80 H160 Cl8 N8 -","8","1","","Gary A. Molander; Shawn K. Pack","Determining the Scope of the Organolanthanide-Catalyzed, Sequential Intramolecular Amination/Cyclization Reaction: Formation of Substituted Quinolizidines, Indolizidines, and Pyrrolizidines","Journal of Organic Chemistry","2003","68","","9214","9220","10.1021/jo035205f","","","0.71069","MoKα","","0.0754","0.0639","","0.1386","0.1334","","","","1.167","1.197","1.197","","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022571","8.063","0.002","17.637","0.004","13.123","0.003","90","","92.939","0.005","90","","1863.7","0.7","143","1","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N4 O7 -","- C16 H22 N4 O7 -","- C64 H88 N16 O28 -","4","1","","Gary A. Molander; Shawn K. Pack","Determining the Scope of the Organolanthanide-Catalyzed, Sequential Intramolecular Amination/Cyclization Reaction: Formation of Substituted Quinolizidines, Indolizidines, and Pyrrolizidines","Journal of Organic Chemistry","2003","68","","9214","9220","10.1021/jo035205f","","","0.71069","MoKα","","0.1064","0.0827","","0.2314","0.2155","","","","1.061","1.141","1.141","","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022572","8.844","0.006","15.79","0.01","15.418","0.006","90","","98.12","0.02","90","","2131.6","0.2","123.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 B F4 N3 O3 -","- C22 H22 B F4 N3 O3 -","- C88 H88 B4 F16 N12 O12 -","4","1","","Shin-ichi Naya; Yohei Yamaguchi; Makoto Nitta","Novel Synthesis, Properties, and Oxidizing Ability of 11,13-Disubstituted 3,8-Methanocycloundeca[8,9-b]pyrimido [5,4-d]-furan-12(11H),14(13H)-dionylium Tetrafluoroborates","Journal of Organic Chemistry","2003","68","","9284","9291","10.1021/jo035213w","","","0.7107","MoKα","","","0.053","","","","0.068","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022573","11.811","0.003","7.5016","0.0009","34.063","0.006","90","","94.85","0.02","90","","3007.2","1","173","","173","1","","","","","","","see text","4","I 1 2 1","I 2y","5","","","","- C25 H46 O6 Si2 -","- C25 H46 O6 Si2 -","- C100 H184 O24 Si8 -","4","1","","Michael Klein; Manfred Zabel; Günther Bernhardt; Burkhard König","Tetrahydroxy 10-Membered Cyclic Enediynes","Journal of Organic Chemistry","2003","68","","9379","9383","10.1021/jo035250n","","","0.71073","MoKα","","0.1614","0.105","","","0.2697","0.3159","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022574","17.849","0.0006","15.2803","0.0005","16.9591","0.0006","90","","117.337","0.001","90","","4108.8","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Cl N5 O7 -","- C40 H60 Cl N5 O7 -","- C160 H240 Cl4 N20 O28 -","4","1","","Joseph M. Mahoney; John P. Davis; Alicia M. Beatty; Bradley D. Smith","Molecular Recognition of Alkylammonium Contact Ion-Pairs Using a Ditopic Receptor","Journal of Organic Chemistry","2003","68","","9819","9820","10.1021/jo035270p","","","0.71073","MoKα","","0.0638","0.0504","","","0.1392","0.1489","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022575","21.567","0.003","6.2282","0.0008","9.5081","0.0008","90","","99.738","0.008","90","","1258.8","0.2","198.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Yuichi Sawada; Takashi Mori; Akira Oku","Carbon-Carbon Bond Formation Reaction of Ethereal Oxonium Ylides via Metal-Enolate Intermediates","Journal of Organic Chemistry","2003","68","","10040","10045","10.1021/jo035272+","","","1.5418","CuKα","","","0.039","","","","0.124","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022576","9.275","0.001","10.594","0.002","8.616","0.001","99.65","0.01","99.2","0.01","99.13","0.01","808.7","0.2","198.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C34 H48 O10 -","2","1","","Yuichi Sawada; Takashi Mori; Akira Oku","Carbon-Carbon Bond Formation Reaction of Ethereal Oxonium Ylides via Metal-Enolate Intermediates","Journal of Organic Chemistry","2003","68","","10040","10045","10.1021/jo035272+","","","1.5418","CuKα","","","0.042","","","","0.111","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022577","7.838","0.001","31.118","0.006","7.7767","0.0009","90","","45.306","0.008","90","","1348.3","0.4","198.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Yuichi Sawada; Takashi Mori; Akira Oku","Carbon-Carbon Bond Formation Reaction of Ethereal Oxonium Ylides via Metal-Enolate Intermediates","Journal of Organic Chemistry","2003","68","","10040","10045","10.1021/jo035272+","","","1.5418","CuKα","","","0.071","","","","0.186","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022578","7.862","0.002","7.873","0.002","14.511","0.004","93.47","0.02","103.69","0.02","114.54","0.01","780.9","0.4","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 B F4 N2 O3 -","- C17 H13 B F4 N2 O3 -","- C34 H26 B2 F8 N4 O6 -","2","1","","Shin-ichi Naya; Takeshi Tokunaka; Makoto Nitta","Synthesis, Properties, and Oxidizing Ability of 9,11-Dimethylbenzocyclohepta[6,7-b]pyrimido[5,4-d]furan- 10(9H),12(11H)-dionylium Tetrafluoroborate","Journal of Organic Chemistry","2003","68","","9317","9321","10.1021/jo035274u","","","0.7107","MoKα","","","0.051","","","","0.063","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022579","7.3658","0.0005","13.203","0.001","13.713","0.002","90","","94.722","0.006","90","","1329","0.2","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methoxycarbonyl-4-methylene-3-p-nitrobenzylpyrazoline-1","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C52 H52 N12 O16 -","4","1","","Masashi Hamaguchi; Masahiro Nakaishi; Toshikazu Nagai; Hatsue Tamura","Effects of an Electron-Withdrawing Group on Thermal Decomposition of 4-Alkylidene-1-pyrazolines: A Novel Stereoselective Formation of Alkylidenecyclopropane Due to Participation of π-Electrons on the Methylene Carbon in Decomposition","Journal of Organic Chemistry","2003","68","","9711","9722","10.1021/jo035321i","","","0.71069","MoKα","","0.094","0.0556","","","0.1417","0.1549","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022580","11.237","0.001","12.26","0.001","14.307","0.001","90","0.01","90","0.01","90","0.01","1971","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,5R,8R)-2-tert-Butyl-8-isopropyl-4,4-dimethyl-3-phenyl-1,6-dioxa-2,9- diazaspiro[4.4]nonane","","- C20 H32 N2 O2 -","- C20 H32 N2 O2 -","- C80 H128 N8 O8 -","4","1","","Renzo Luisi; Vito Capriati; Saverio Florio; Teresa Vista","New Synthesis of Optically Active 5-Isoxazolidinones and β-Amino Acids","Journal of Organic Chemistry","2003","68","","9861","9864","10.1021/jo035356i","","","0.71073","MoKα","","0.0396","0.0359","","","0.0976","0.1032","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022581","6.187","0.001","16.721","0.001","18.792","0.001","90","0.01","90","0.01","90","0.01","1944.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,3'R,4'S)-2-[2-tert-Butyl-3-(4-chlorophenyl)-4-methyl[1,2]oxazetidin-4-yl]- 4-isopropyl-4,5-dihydrooxazole","","- C19 H31 Cl N2 O2 -","- C19 H27 Cl N2 O2 -","- C76 H108 Cl4 N8 O8 -","4","1","","Renzo Luisi; Vito Capriati; Saverio Florio; Eliana Piccolo","Synthesis of Enantiomerically Enriched Oxazolinyl[1,2]Oxazetidines","Journal of Organic Chemistry","2003","68","","10187","10190","10.1021/jo035360u","","","0.71073","MoKα","","0.0508","0.0457","","","0.1361","0.1421","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022582","8.7232","0.0003","8.9406","0.0002","21.7964","0.0006","96.0857","0.0016","99.7545","0.0012","100.558","0.0016","1630.41","0.08","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C45 H55 F12 N5 O14 P4 Pt2 S4 -","- C45 H55 F12 N5 O14 P4 Pt2 S4 -","- C45 H55 F12 N5 O14 P4 Pt2 S4 -","1","0.5","","Ki-Whan Chi; Chris Addicott; Atta M. Arif; Neeladri Das; Peter J. Stang","Bidentate Ligands Capable of Variable Bond Angles in the Self-Assembly of Discrete Supramolecules","Journal of Organic Chemistry","2003","68","","9798","9801","10.1021/jo0353785","","","0.71073","MoKα","","0.0472","0.0382","","","0.0824","0.087","","","","","","1.089","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4029816","9.23","0.002","9.844","0.002","10.127","0.002","108.46","0.01","103.28","0.01","99.61","0.01","820.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O8 -","- C17 H16 N2 O8 -","- C34 H32 N4 O16 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0507","0.0469","","","0.1205","0.1241","","","","","","1.048","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029817","4.321","0.001","10.239","0.002","12.121","0.002","113.91","0.01","97.71","0.01","92.57","0.01","482.89","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O8 -","- C11 H9 N O4 -","- C22 H18 N2 O8 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0457","0.0371","","","0.082","0.0858","","","","","","0.968","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029818","7.084","0.002","10.221","0.003","11.829","0.003","85.52","0.01","76.42","0.01","74.67","0.01","802.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N2 O6 -","- C17 H15 N2 O6 -","- C34 H30 N4 O12 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0795","0.0423","","","0.0697","0.0803","","","","","","0.904","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029819","8.001","0.001","9.822","0.002","12.257","0.002","94.85","0.01","92.1","0.01","94.63","0.01","955.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O9 -","- C22 H16 N2 O9 -","- C44 H32 N4 O18 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0702","0.0658","","","0.1704","0.1762","","","","","","1.012","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029820","3.85","0.001","11.162","0.003","12.126","0.004","113.46","0.01","95.26","0.01","92.35","0.01","474.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O8 -","- C11 H8 N O4 -","- C22 H16 N2 O8 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0909","0.0705","","","0.1693","0.1839","","","","","","1.072","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029821","7.084","0.001","7.253","0.001","13.933","0.002","90.68","0.01","102.41","0.01","106.3","0.01","669.06","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N2 O4 -","- C17 H11 N2 O4 -","- C34 H22 N4 O8 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0526","0.0426","","","0.0925","0.0984","","","","","","1.045","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029822","9.752","0.002","9.822","0.002","12.034","0.003","80.1","0.01","69.38","0.01","67.38","0.01","994.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O10 -","- C22 H18 N2 O10 -","- C44 H36 N4 O20 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0435","0.0379","","","0.0976","0.1018","","","","","","1.049","","","","has coordinates","178477","2020-10-21","18:00:00",""