# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T12:38:21+01:00
# 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 'Organic letters') AND volume = 6 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
"1506871","8.1092","0.0003","15.8014","0.0006","12.6836","0.0005","90","","108.122","0.001","90","","1544.62","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 B N -","- C19 H28 B N -","- C76 H112 B4 N4 -","4","1","","Wagner, Carl E.; Shea, Kenneth J.","Synthesis and first molecular structure of a bis-2-spiro-1-boraadamantane derivative.","Organic letters","2004","6","3","313","316","10.1021/ol035661q","","","0.71073","MoKα","","0.0633","0.0401","","","0.0923","0.1079","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506872","12.0028","0.0009","11.6863","0.0008","13.3982","0.001","90","","107.782","0.001","90","","1789.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 B2 N2 -","- C44 H56 B2 N2 -","- C88 H112 B4 N4 -","2","0.5","","Wagner, Carl E.; Shea, Kenneth J.","Synthesis and first molecular structure of a bis-2-spiro-1-boraadamantane derivative.","Organic letters","2004","6","3","313","316","10.1021/ol035661q","","","0.71073","MoKα","","0.0738","0.0493","","","0.1115","0.1284","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506873","8.3435","0.0006","6.6015","0.0004","9.8836","0.0007","90","","90.892","0.001","90","","544.32","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C24 H32 O4 -","2","0.5","","Wagner, Carl E.; Shea, Kenneth J.","Synthesis and first molecular structure of a bis-2-spiro-1-boraadamantane derivative.","Organic letters","2004","6","3","313","316","10.1021/ol035661q","","","0.71073","MoKα","","0.0485","0.0389","","","0.1123","0.1196","","","","","","1.476","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506874","10.6406","0.0009","11.014","0.001","21.713","0.002","92.496","0.001","94.349","0.001","97.292","0.001","2513.2","0.4","151.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H82 Cl N2 O P2 Rh -","- C52.79 H52 Cl N2 P2 Rh -","- C105.58 H104 Cl2 N4 P4 Rh2 -","2","1","","Lewis, Jared C.; Wiedemann, Sean H.; Bergman, Robert G.; Ellman, Jonathan A.","Arylation of heterocycles via rhodium-catalyzed C-H bond functionalization.","Organic letters","2004","6","1","35","38","10.1021/ol035985e","","","0.7107","MoKα","","","0.0527","","","","0.063","","","","","","1.865","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506875","10.842","0.005","30.34","0.004","10.832","0.006","90","","92.77","0.02","90","","3559","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Cl6 O4 P -","- C32 H37 Cl6 O4 P -","- C128 H148 Cl24 O16 P4 -","4","1","","Kommana, Praveen; Satish Kumar, N.; Vittal, Jagadese J.; Jayasree, E. G.; Jemmis, E. D.; Kumara Swamy, K. C.","Does a sterically bulky group occupy the equatorial site in trigonal bipyramidal phosphorus?","Organic letters","2004","6","2","145","148","10.1021/ol035990i","","","0.71073","MoKα","","0.1066","0.0539","","","0.1476","0.188","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506876","9.5164","0.0007","10.9825","0.0009","17.8763","0.0014","84.208","0.002","81.966","0.002","82.869","0.002","1829","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H43 Cl4 O4 P -","- C36.5 H43 Cl4 O4 P -","- C73 H86 Cl8 O8 P2 -","2","1","","Kommana, Praveen; Satish Kumar, N.; Vittal, Jagadese J.; Jayasree, E. G.; Jemmis, E. D.; Kumara Swamy, K. C.","Does a sterically bulky group occupy the equatorial site in trigonal bipyramidal phosphorus?","Organic letters","2004","6","2","145","148","10.1021/ol035990i","","","0.71073","MoKα","","0.059","0.0436","","","0.1042","0.1091","","","","","","1.004","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506877","6.8202","0.0007","9.76","0.001","11.627","0.002","78.101","0.004","76.898","0.005","75.658","0.007","721.02","0.16","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 O2 Si -","- C12 H24 O2 Si -","- C24 H48 O4 Si2 -","2","1","","Gorman, Jeffrey S. T.; Iacono, Scott T.; Pagenkopf, Brian L.","Selective oxidation of zirconocyclopentenes via organoboranes.","Organic letters","2004","6","1","67","70","10.1021/ol036031r","","","0.71073","MoKα","","0.29","0.1139","","","0.2067","0.2396","","","","","","1.488","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506878","6.0993","0.0006","9.9481","0.001","13.1235","0.0013","90","","90","","90","","796.29","0.14","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Du, Yanming; Creighton, Christopher J.; Tounge, Brett A.; Reitz, Allen B.","Noncovalent self-assembly of bicyclo[4.2.2]diketopiperazines: influence of saturation in the bridging carbacyclic ring.","Organic letters","2004","6","3","309","312","10.1021/ol036101u","","","0.71073","MoKα","","0.0668","0.0415","","","0.0764","0.0827","","","","","","0.969","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506879","7.5275","0.001","9.8141","0.0013","11.7768","0.0016","90","","96.537","0.002","90","","864.4","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","2","","Du, Yanming; Creighton, Christopher J.; Tounge, Brett A.; Reitz, Allen B.","Noncovalent self-assembly of bicyclo[4.2.2]diketopiperazines: influence of saturation in the bridging carbacyclic ring.","Organic letters","2004","6","3","309","312","10.1021/ol036101u","","","0.71073","MoKα","","0.0692","0.0521","","","0.1249","0.1315","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506880","4.972","0.0013","8.259","0.002","10.597","0.003","91.59","0.005","96.686","0.005","105.419","0.004","415.85","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","1","0.5","","Wu, Zong-Quan; Jiang, Xi-Kui; Zhu, Shi-Zheng; Li, Zhan-Ting","Hydrogen bond-induced rigid oligoanthranilamide ribbons that are planar and straight.","Organic letters","2004","6","2","229","232","10.1021/ol036108b","","","0.71073","MoKα","","0.1196","0.0667","","","0.172","0.1937","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506881","7.3659","0.0012","13.482","0.002","13.783","0.002","108.707","0.003","104.395","0.003","90.589","0.004","1249.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O8 -","- C28 H28 N2 O8 -","- C56 H56 N4 O16 -","2","1","","Wu, Zong-Quan; Jiang, Xi-Kui; Zhu, Shi-Zheng; Li, Zhan-Ting","Hydrogen bond-induced rigid oligoanthranilamide ribbons that are planar and straight.","Organic letters","2004","6","2","229","232","10.1021/ol036108b","","","0.71073","MoKα","","0.108","0.0541","","","0.1084","0.1234","","","","","","0.784","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506882","4.0457","0.0006","9.8264","0.0016","28.394","0.004","90","","91.477","0.003","90","","1128.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O8 -","- C26 H24 N2 O8 -","- C52 H48 N4 O16 -","2","0.5","","Wu, Zong-Quan; Jiang, Xi-Kui; Zhu, Shi-Zheng; Li, Zhan-Ting","Hydrogen bond-induced rigid oligoanthranilamide ribbons that are planar and straight.","Organic letters","2004","6","2","229","232","10.1021/ol036108b","","","0.71073","MoKα","","0.1085","0.0569","","","0.1249","0.1397","","","","","","0.839","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506883","19.0887","0.0014","27.889","0.002","28.778","0.002","90","","90","","90","","15320.4","1.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C153 H186 Cl2 O8 P8 Pt4 -","- C153 H185 Cl2 O8 P8 Pt4 -","- C612 H740 Cl8 O32 P32 Pt16 -","4","1","","Hua, Jiang; Lin, Wenbin","Chiral metallacyclophanes: self-assembly, characterization, and application in asymmetric catalysis.","Organic letters","2004","6","6","861","864","10.1021/ol036111v","","","0.71073","MoKα","","0.1825","0.0759","","","0.1766","0.2403","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506884","13.9988","0.001","38.171","0.003","14.5336","0.0011","90","","114.387","0.001","90","","7073.1","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H88 O5 P4 Pt2 -","- C74 H83.25 O5 P4 Pt2 -","- C296 H333 O20 P16 Pt8 -","4","2","","Hua, Jiang; Lin, Wenbin","Chiral metallacyclophanes: self-assembly, characterization, and application in asymmetric catalysis.","Organic letters","2004","6","6","861","864","10.1021/ol036111v","","","0.71073","MoKα","","0.1034","0.0676","","","0.1352","0.152","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506885","12.131","0.006","13.169","0.004","19.099","0.006","94.45","0.03","96.33","0.04","110.15","0.03","2825","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C67 H68 O12 -","- C67 H67 O12 -","- C134 H134 O24 -","2","1","","Ihm, Chaesang; In, Youngyong; Park, Youngja; Paek, Kyungsoo","Small cavitands specifically binding a water molecule.","Organic letters","2004","6","3","369","372","10.1021/ol036206x","","","0.7107","MoKα","","0.1094","0.0531","","","0.1276","0.1591","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506886","7.792","0.004","15.115","0.013","8.009","0.009","90","","98.12","0.06","90","","933.8","1.4","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 N2 O4 -","- C18 H30 N2 O4 -","- C36 H60 N4 O8 -","2","1","","Periasamy, Mariappan; Sivakumar, Sangarappan; Reddy, Meda Narsi; Padmaja, Meduri","Toward homogeneity of chirality via selective formation of homochiral or heterochiral aggregates.","Organic letters","2004","6","2","265","268","10.1021/ol036240b","","","0.71073","MoKα","","0.0835","0.0549","","","0.1323","0.1516","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506887","14.9262","0.0015","15.3584","0.001","17.1309","0.0013","111.443","0.004","95.318","0.003","90.261","0.003","3636.4","0.5","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C88 H80 N8 O12 -","- C88 H80 N8 O12 -","- C176 H160 N16 O24 -","2","1","","Ma, Bao-Qing; Vieira Ferreira, Luis F.; Coppens, Philip","Structure and photoluminescence of a benzil nanocolumn in a C-methylcalix[4]resorcinarene-based framework.","Organic letters","2004","6","7","1087","1090","10.1021/ol036249d","","","0.71073","MoKα","","0.0973","0.0465","","","0.0936","0.1094","","","","","","0.917","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506888","7.504","0.002","15.354","0.004","11.812","0.004","90","0","105.48","0.03","90","0","1311.6","0.7","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 -","- C15 H17 N3 -","- C60 H68 N12 -","4","1","","Benati, Luisa; Bencivenni, Giorgio; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Scialpi, Rosanna; Spagnolo, Piero; Zanardi, Giuseppe; Rizzoli, Corrado","Cyclizations of N-stannylaminyl radicals onto nitriles.","Organic letters","2004","6","3","417","420","10.1021/ol036268n","","","1.54178","CuKα","","0.071","0.042","","0.1113","","0.0965","","","0.991","","","1.122","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506889","10.819","0.002","9.869","0.002","22.487","0.005","90","0","90","0","90","0","2401","0.8","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C112 H120 N24 -","8","1","","Benati, Luisa; Bencivenni, Giorgio; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Scialpi, Rosanna; Spagnolo, Piero; Zanardi, Giuseppe; Rizzoli, Corrado","Cyclizations of N-stannylaminyl radicals onto nitriles.","Organic letters","2004","6","3","417","420","10.1021/ol036268n","","","1.54178","CuKα","","0.1023","0.0471","","0.1129","","0.0912","","","0.938","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506890","8.8733","0.0008","11.502","0.001","11.502","0.001","90","","112.22","0.01","90","","1086.73","0.18","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 S3 -","- C12 H6 S3 -","- C48 H24 S12 -","4","1","","Nicolas, Yohann; Blanchard, Philippe; Levillain, Eric; Allain, Magali; Mercier, Nicolas; Roncali, Jean","Planarized star-shaped oligothiophenes with enhanced pi-electron delocalization.","Organic letters","2004","6","2","273","276","10.1021/ol0362764","","x-ray","0.71073","MoKα","","0.0803","0.0652","","","0.1782","0.1922","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506891","31.901","0.0019","31.901","0.0019","15.8767","0.0009","90","","90","","90","","16157.3","1.6","143","1","143","1","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C31.25 H29.25 Cl8.75 N5 O4 Ru S2 -","- C31.0613 H28.865 Cl8.184 N5 O4 Ru S2 -","- C496.98 H461.84 Cl130.944 N80 O64 Ru16 S32 -","16","1","","Zhang, Lilu; Carroll, Patrick; Meggers, Eric","Ruthenium complexes as protein kinase inhibitors.","Organic letters","2004","6","4","521","523","10.1021/ol036283s","","","0.71069","MoKα","","0.071","0.0606","","","0.1594","0.1749","","","","","","1.049","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1506892","7.728","0.004","10.467","0.005","15.821","0.008","101.849","0.009","94.878","0.01","108.82","0.009","1169.6","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl N2 O7 S -","- C21 H21 Cl N2 O7 S -","- C42 H42 Cl2 N4 O14 S2 -","2","1","","Dinsmore, Andrew; Billing, David G.; Mandy, Karen; Michael, Joseph P.; Mogano, Daniel; Patil, Shivaputra","Magnesiation employing Grignard reagents and catalytic amine. Application to the functionalization of N-phenylsulfonylpyrrole.","Organic letters","2004","6","2","293","296","10.1021/ol036288p","","","0.71073","MoKα","","0.162","0.0707","","","0.1929","0.2365","","","","","","0.988","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506893","9.5168","0.0014","10.0609","0.0014","14.103","0.002","77.431","0.012","77.178","0.012","79.479","0.012","1272.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C62 H58 N2 O14 -","2","1","","Renaudet, Olivier; Reymond, Jean-Louis","Synthesis of ether oligomers.","Organic letters","2004","6","3","397","400","10.1021/ol036300d","","","0.71073","MoKα","","0.0548","0.0375","","","0.0917","0.099","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506894","8.7426","0.0008","10.6484","0.0009","14.4952","0.0013","96.122","0.007","99.555","0.007","104.529","0.007","1272.5","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O8 -","- C30 H27 N O8 -","- C60 H54 N2 O16 -","2","1","","Renaudet, Olivier; Reymond, Jean-Louis","Synthesis of ether oligomers.","Organic letters","2004","6","3","397","400","10.1021/ol036300d","","","0.71073","MoKα","","0.0449","0.0357","","","0.0851","0.0909","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506895","13.0619","0.0009","14.127","0.002","11.692","0.001","108.13","0.01","109.703","0.005","77.28","0.02","1914.2","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H45 Cl5 P2 Pd S -","- C33.5 H44 Cl5 P2 Pd S -","- C67 H88 Cl10 P4 Pd2 S2 -","2","1","","Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki","Preparation and coordination properties including catalytic activities of a bulky 2-methyl-3-thioxo-1,3-diphosphapropene.","Organic letters","2004","6","3","425","427","10.1021/ol036330g","","","0.7107","MoKα","","","0.0618","","","","0.1631","","","","","","1.571","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506896","8.123","0.0012","8.1163","0.0011","13.096","0.002","102.015","0.01","87.435","0.006","119.834","0.015","730.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(±)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.1352","0.1099","","","0.2721","0.2923","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506897","8","0.0005","8.006","0.0005","12.842","0.0008","96.645","0.0019","92.52","0.002","119.6","0.003","705.47","0.08","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(+/-)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.0936","0.0747","","","0.1629","0.1767","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506898","8.487","0.009","12.456","0.008","16.095","0.008","96.32","0.03","105.32","0.04","110.1","0.14","1503","3","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(+/-)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid methane solvate","","- C15.25 H21 O5 -","- C15.25 H20 O5 -","- C61 H80 O20 -","4","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.0714","0.0675","","","0.215","0.2207","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506899","8.546","0.001","12.52","0.001","16.036","0.002","96.47","0.01","105.18","0.02","109.35","0.01","1524.4","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","(+/-)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid dichlorometane solvate","","- C15.5 H21 Cl O5 -","- C15.5 H20.669 Cl O5 -","- C62 H82.676 Cl4 O20 -","4","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71069","MoKα","","0.0813","0.0623","","","0.1768","0.2035","","","","","","0.82","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506900","8.497","0.002","12.436","0.003","16.119","0.004","96.498","0.012","104.91","0.005","109.739","0.015","1511.3","0.7","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","(±)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid chloroform solvate","","- C15.25 H20.25 Cl0.75 O5 -","- C15.125 H20.25 Cl0.625 O5 -","- C60.5 H81 Cl2.5 O20 -","4","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71069","MoKα","","0.1184","0.0776","","","0.203","0.2326","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506901","7.967","0.0004","26.203","0.0017","19.314","0.0013","90","","100.247","0.003","90","","3967.7","0.4","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid carbon tetrachloride solvate","","- C20 H20 O5 -","- C16 H20 Cl4 O5 -","- C128 H160 Cl32 O40 -","8","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.1581","0.1053","","","0.2682","0.3074","","","","","","1.033","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506902","9.9279","0.0006","7.8341","0.0004","15.8873","0.0009","90","","95.946","0.001","90","","1229.01","0.12","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-endo-6-exo-bis(chloromethanesulfonyl)bicyclo[2.2.1]hept-2-ene","","- C9 H12 Cl2 O4 S2 -","- C9 H12 Cl2 O4 S2 -","- C36 H48 Cl8 O16 S8 -","4","2","","Block, Eric; Jeon, Hak Rim; Zhang, Shao-Zhong; Dikarev, Evgeny V.","Chloromethanesulfonylethene and dichloromethanesulfonylethene: new reagents for tandem Diels-Alder/Ramberg-Bäcklund reactions.","Organic letters","2004","6","3","437","440","10.1021/ol0363523","","","0.71073","MoKα","","0.0299","0.0291","","","0.0739","0.0744","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506903","16.9447","0.0014","10.3611","0.0014","12.0903","0.0015","90","","119.267","0.009","90","","1851.7","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C88 H76 N12 O12 -","4","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.0284","0.0266","","","0.0679","0.0692","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506904","14.8764","0.0017","13.5218","0.0013","27.438","0.003","90","","90","","90","","5519.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 N3 O4 Si -","- C28 H33 N3 O4 Si -","- C224 H264 N24 O32 Si8 -","8","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.132","0.0945","","","0.1984","0.2242","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506905","14.007","0.003","18.438","0.004","29.115","0.006","90","","95.24","0.03","90","","7488","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 N3 O5.5 Si2 -","- C34.75 H42.5 N3 O5.5 Si2 -","- C278 H340 N24 O44 Si16 -","8","2","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.1656","0.0888","","0.3269","0.2448","","","","0.997","1.08","1.08","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506906","22.019","0.004","10.433","0.002","12.03","0.002","90","","93.25","0.03","90","","2759.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O4 Si -","- C28 H33 N3 O4 Si -","- C112 H132 N12 O16 Si4 -","4","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.0925","0.0678","","0.1863","0.1739","","","","1.037","1.226","1.226","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506907","6.8014","0.0001","12.835","0.0002","21.757","0.0003","90","","90","","90","","1899.3","0.05","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl Hg N O4 S -","- C18 H26 Cl Hg N O4 S -","- C72 H104 Cl4 Hg4 N4 O16 S4 -","4","1","","Nguyen, Giang; Perlmutter, Patrick; Rose, Mark L.; Vounatsos, Filisaty","A new nucleophilic addition/ring-closure sequence. Enantioselective synthesis of 3-deoxy-8-oxatropanes.","Organic letters","2004","6","6","893","895","10.1021/ol036404o","","","0.7107","MoKα","","0.0465","0.0382","","0.0358","","0.0351","","","2.553","","","2.676","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506908","12.665","0.006","13.21","0.007","13.883","0.008","104.02","0.03","95.65","0.03","95.33","0.02","2226","2","100","","100","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C116 H88 N8 O12 -","4","2","","Wang, Pingshan; Moorefield, Charles N.; Newkome, George R.","Synthesis, X-ray structure, and self-assembly of functionalized bis(2,2':6',2' '-terpyridinyl)arenes.","Organic letters","2004","6","8","1197","1200","10.1021/ol0364529","","","0.71073","MoKα","","0.129","0.057","","","0.109","0.133","","","","","","0.961","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506909","8.8878","0.0018","13.261","0.003","15.659","0.003","65.805","0.003","85.892","0.004","72.284","0.004","1600.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H30 N6 O -","- C43 H30 N6 O -","- C86 H60 N12 O2 -","2","1","","Wang, Pingshan; Moorefield, Charles N.; Newkome, George R.","Synthesis, X-ray structure, and self-assembly of functionalized bis(2,2':6',2' '-terpyridinyl)arenes.","Organic letters","2004","6","8","1197","1200","10.1021/ol0364529","","","0.71073","MoKα","","0.0679","0.0619","","","0.1539","0.1576","","","","","","1.114","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506910","21.838","0.001","9.844","0.002","12.235","0.001","90","","90","","90","","2630.2","0.6","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H39 N O2 Si2 -","- C22 H39 N O2 Si2 -","- C88 H156 N4 O8 Si8 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","1.54178","CuKα","","0.0691","0.0522","","","0.1398","0.1528","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506911","9.245","0.001","11.945","0.001","32.509","0.001","90","","90","","90","","3590","0.5","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H45 N O2 Si Sn -","- C37 H45 N O2 Si Sn -","- C148 H180 N4 O8 Si4 Sn4 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","0.71073","MoKα","","0.0682","0.0396","","","0.0607","0.0677","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506912","9.895","0.001","11.67","0.001","22.943","0.001","90","","90","","90","","2649.3","0.4","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 N O3 Si -","- C24 H39 N O3 Si -","- C96 H156 N4 O12 Si4 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","0.71073","MoKα","","0.0774","0.047","","","0.1048","0.1166","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506913","7.9045","0.0012","8.5305","0.0012","9.0461","0.0014","85.166","0.004","66.051","0.003","84.758","0.004","554.38","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C26 H38 N2 O4 -","2","1","","Zeng, Yibin; Reddy, D. Srinivasa; Hirt, Erin; Aubé, Jeffrey","Domino reactions that combine an azido-Schmidt ring expansion with the Diels-Alder reaction.","Organic letters","2004","6","26","4993","4995","10.1021/ol047809r","","","0.71073","MoKα","","0.044","0.0434","","","0.1114","0.112","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506914","15.128","0.0002","6.86","0.0001","19.886","0.0004","90","","104.813","0.0007","90","","1995.14","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Depsilairdin","","","- C38 H67 N3 O10 -","- C38 H67 N3 O10 -","- C76 H134 N6 O20 -","2","1","","Pedras, M Soledade C; Chumala, Paulos B.; Quail, J. Wilson","Chemical mediators: the remarkable structure and host-selectivity of depsilairdin, a sesquiterpenic depsipeptide containing a new amino acid.","Organic letters","2004","6","24","4615","4617","10.1021/ol0478786","","","0.71073","MoKα","","0.0611","0.0433","","","0.0845","0.0918","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506915","11.5796","0.0004","12.316","0.0005","12.741","0.0005","69.9597","0.0013","65.776","0.0014","88.9354","0.0012","1540.85","0.11","120","","120","","","","","","","","?","5","P -1","-P 1","2","","4'',5'-bisNN-2,2'-bipyridine","","- C28 H33 Cl3 N8 O4 -","- C28 H33 Cl3 N8 O4 -","- C56 H66 Cl6 N16 O8 -","2","1","","Zoppellaro, Giorgio; Enkelmann, Volker; Geies, Ahmed; Baumgarten, Martin","A multifunctional high-spin biradical pyrazolylbipyridine-bisnitronylnitroxide.","Organic letters","2004","6","26","4929","4932","10.1021/ol0479040","","","0.71073","MoKα","","","0.0512","","","","0.0571","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506916","6.66","0.0004","10.93","0.0005","23.157","0.0007","90","","96.362","0.0013","90","","1675.3","0.14","120","","120","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","6-bromo-5'nitronylnitroxide-2,2'-bipyridine","","- C17 H18 Br N4 O2 -","- C17 H18 Br N4 O2 -","- C68 H72 Br4 N16 O8 -","4","1","","Zoppellaro, Giorgio; Enkelmann, Volker; Geies, Ahmed; Baumgarten, Martin","A multifunctional high-spin biradical pyrazolylbipyridine-bisnitronylnitroxide.","Organic letters","2004","6","26","4929","4932","10.1021/ol0479040","","","0.71073","MoKα","","","0.0405","","","","0.0448","","","","","","1.0815","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506917","6.569","","21.561","","20.662","","90","","90.8","","90","","2926.16","","120","","120","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","terpyridine","","- C29 H37 N7 O6 -","- C29 H37 N7 O6 -","- C116 H148 N28 O24 -","4","1","","Zoppellaro, Giorgio; Enkelmann, Volker; Geies, Ahmed; Baumgarten, Martin","A multifunctional high-spin biradical pyrazolylbipyridine-bisnitronylnitroxide.","Organic letters","2004","6","26","4929","4932","10.1021/ol0479040","","","0.71073","MoKα","","","0.0645","","","","0.0666","","","","","","1.0293","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506918","6.3768","0.0005","8.3652","0.0006","23.9945","0.0018","90","","90","","90","","1279.94","0.17","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O9 -","- C11 H14 O9 -","- C44 H56 O36 -","4","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0361","0.0355","","","0.0885","0.089","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506919","8.0032","0.0018","10.171","0.002","8.0938","0.0018","90","","99.584","0.005","90","","649.6","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O8 -","- C11 H14 O8 -","- C22 H28 O16 -","2","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0333","0.0291","","","0.0561","0.0572","","","","","","0.968","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506920","8.3616","0.0006","10.4148","0.0007","11.2854","0.0007","90","","90","","90","","982.78","0.11","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 O8 -","- C8 H10 O8 -","- C32 H40 O32 -","4","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0348","0.034","","","0.0935","0.0942","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506921","8.0511","0.0005","14.5143","0.001","8.4402","0.0006","90","","91.624","0.001","90","","985.89","0.12","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H10 O8 -","- C8 H10 O8 -","- C32 H40 O32 -","4","2","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0358","0.034","","","0.0838","0.085","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506922","14.7787","0.0008","11.8125","0.001","8.9824","0.0005","90","","116.602","0.005","90","","1402.09","0.17","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","2,3-benzo-7,7-difluoro-1-(morpholin-4-yl)bicyclo[4.1.0]heptane hydrochloride","","- C15 H18 Cl F2 N O -","- C15 H18 Cl F2 N O -","- C60 H72 Cl4 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0318","0.0293","","","0.0757","0.0776","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506923","9.6971","0.0007","15.91","0.0017","8.8887","0.0012","90","","107.646","0.009","90","","1306.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-benzo-7,7-difluoro-1-(morpholin-4-yl)bicyclo[4.1.0]heptane","","- C15 H17 F2 N O -","- C15 H17 F2 N O -","- C60 H68 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0512","0.038","","","0.0933","0.101","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506924","9.0862","0.0014","12.3385","0.0019","11.885","0.003","90","","99.55","0.019","90","","1314","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8,8-difluoro-1-(morpholin-4-yl)bicyclo[5.1.0]octane hydrochloride","","- C12 H20 Cl F2 N O -","- C12 H20 Cl F2 N O -","- C48 H80 Cl4 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0596","0.0418","","","0.102","0.1125","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506925","15.7559","0.0009","12.6574","0.0009","14.6957","0.0012","90","","118.97","0.005","90","","2564","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","7,7-difluoro-1-(morpholin-4-yl)bicyclo[4.1.0]heptane hydrochloride hydrate","","- C11 H19 Cl F2 N O1.5 -","- C11 H19 Cl F2 N O1.5 -","- C88 H152 Cl8 F16 N8 O12 -","8","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0505","0.0395","","","0.0996","0.1078","","","","","","1.038","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506926","12.6119","0.0008","7.2008","0.0006","16.4798","0.0013","90","","108.231","0.006","90","","1421.5","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9,9-difluoro-1-(morpholin-1-yl)bicyclo[6.1.0]nonane hydrobromide","","- C13 H22 Br F2 N O -","- C13 H22 Br F2 N O -","- C52 H88 Br4 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","x-ray","0.71073","MoKalpha","","0.0514","0.0371","","","0.0904","0.0982","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506927","6.4482","0.0009","19.473","0.003","12.0535","0.0017","90","","102.17","0.003","90","","1479.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl5 N2 O2 S2 -","- C23 H31 Cl5 N2 O2 S2 -","- C46 H62 Cl10 N4 O4 S4 -","2","1","","Zhong, Yu-Wu; Izumi, Kenji; Xu, Ming-Hua; Lin, Guo-Qiang","Highly diastereoselective and enantioselective synthesis of enantiopure C2-Symmetrical vicinal diamines by reductive homocoupling of chiral N-tert-butanesulfinyl imines.","Organic letters","2004","6","25","4747","4750","10.1021/ol0479803","","","0.71073","MoKα","","0.1229","0.0526","","","0.0897","0.1081","","","","","","0.746","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506928","5.2748","0.0003","10.1002","0.0006","15.4153","0.0009","94.272","0.001","94.662","0.001","95.663","0.001","811.74","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N O3 -","- C18 H24 N O3 -","- C36 H48 N2 O6 -","2","1","","Chamberland, Stephen; Woerpel, K. A.","Using nucleophilic substitution reactions to understand how a remote alkyl or alkoxy substituent influences the conformation of eight-membered ring oxocarbenium ions.","Organic letters","2004","6","25","4739","4741","10.1021/ol047998d","","","0.71073","MoKα","","0.0627","0.0536","","","0.1419","0.1522","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506929","8.729","0.008","11.35","0.01","20.09","0.02","90","","90","","90","","1990","3","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","1","","Takano, Masashi; Umino, Akinori; Nakada, Masahisa","Synthetic studies on cyathins: enantioselective total synthesis of (+)-allocyathin B2.","Organic letters","2004","6","26","4897","4900","10.1021/ol048010i","","","0.7107","MoKα","","","0.032","","","","0.082","","","","","","0.954","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506930","11.413","0.003","12.631","0.003","22.655","0.005","90","","95.192","0.004","90","","3252.5","1.4","207","2","207","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C60 H54 F12 N10 O4 P2 Ru2 -","- C59.4 H52.2 F12 N10 O3.7 P2 Ru2 -","- C118.8 H104.4 F24 N20 O7.4 P4 Ru4 -","2","0.5","","Rastegar, Majid F.; Todd, Erin K.; Tang, Hongding; Wang, Zhi Yuan","A new class of near-infrared electrochromic oxamide-based dinuclear ruthenium complexes.","Organic letters","2004","6","24","4519","4522","10.1021/ol048021b","","","0.71073","MoKα","","0.093","0.0672","","","0.1482","0.1559","","","","","","1.208","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506931","17.2335","0.0011","14.9473","0.0009","9.4343","0.0006","90","","97.164","0.001","90","","2411.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N3 O7 -","- C29 H21 N3 O7 -","- C116 H84 N12 O28 -","4","1","","Zhang, Yan; Wang, Lei; Zhang, Min; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [4 + 4] cycloadditions of o-quinones with oxazoles.","Organic letters","2004","6","26","4893","4895","10.1021/ol048028t","","","0.71073","MoKα","","0.0697","0.053","","","0.1353","0.1468","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506932","10.5543","0.0001","12.653","0.0004","13.6927","0.0003","90","","103.879","0.001","90","","1775.19","0.07","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Zhang, Yan; Wang, Lei; Zhang, Min; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [4 + 4] cycloadditions of o-quinones with oxazoles.","Organic letters","2004","6","26","4893","4895","10.1021/ol048028t","","","0.71073","MoKα","","0.1468","0.0566","","","0.1138","0.1378","","","","","","0.792","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506933","6.3777","0.001","14.081","0.0018","14.2429","0.0015","90","","97.89","0.014","90","","1267","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl2 N2 O5 S -","- C25 H22 Cl2 N2 O5 S -","- C50 H44 Cl4 N4 O10 S2 -","2","1","","Xu, Xin; Kotti, S. R. S. Saibabu; Liu, Junying; Cannon, John F.; Headley, Allan D.; Li, Guigen","Ionic liquid media resulted in the first asymmetric aminohalogenation reaction of alkenes.","Organic letters","2004","6","26","4881","4884","10.1021/ol048045i","","","0.71073","MoKα","","0.0723","0.0513","","","0.1161","0.1318","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506934","16.09","0.007","10.544","0.004","17.881","0.007","90","0.0015","104.605","0.0017","90","0.0015","2936","2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 Cl2 O8 -","- C36 H26 Cl2 O8 -","- C144 H104 Cl8 O32 -","4","1","","Saitoh, Terunobu; Yoshida, Suguru; Ichikawa, Junji","1,8-bis(diphenylmethylium)naphthalenediyl dication as an organic oxidant: synthesis of benzidines via self-coupling of N,N-dialkylanilines.","Organic letters","2004","6","24","4563","4565","10.1021/ol048058w","","","0.7107","MoKα","","0.0593","0.0527","","","0.142","0.1467","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506935","11.17","0.01","16.42","0.01","24.14","0.02","90","","90","","90","","4428","6","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H31 N Si -","- C26 H31 N Si -","- C208 H248 N8 Si8 -","8","1","","Yagi, Kazunari; Shinokubo, Hiroshi; Oshima, Koichiro","Synthesis of silyl aziridines and alpha-amino acylsilanes with silyldibromomethyllithium.","Organic letters","2004","6","23","4339","4341","10.1021/ol048092a","","","0.7107","MoKα","","","0.054","","","","0.068","","","","","","1.168","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506936","10.6541","0.0009","9.4448","0.0008","14.5765","0.0012","90","","109.205","0.002","90","","1385.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N2 O3 -","- C14 H22 N2 O3 -","- C56 H88 N8 O12 -","4","1","","Kim, Yi Jin; Lee, Daesung","Use of N-N bond stereodynamics in ring-closing metathesis to form medium-sized rings and macrocycles.","Organic letters","2004","6","23","4351","4353","10.1021/ol048136f","","","0.71073","MoKα","","0.0487","0.0391","","","0.1019","0.1067","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506937","7.423","0.0015","14.598","0.003","13.89","0.003","90","","92.82","0.03","90","","1503.3","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Muthyala, Rajeev S.; Subramaniam, Gopal; Todaro, Louis","The use of squaric acid as a scaffold for cofacial phenyl rings.","Organic letters","2004","6","25","4663","4665","10.1021/ol048139s","","","0.71073","MoKα","","0.1277","0.0698","","","0.1431","0.1666","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506938","7.2663","0.0007","9.8732","0.001","26.502","0.003","90","","95.2","0.003","90","","1893.5","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O8 -","- C18 H26 O8 -","- C72 H104 O32 -","4","1","","Hulin, Bernard; Newton, Linda S.; Cabral, Shawn; Walker, Aaron J.; Bordner, Jon","Three-component, stereoselective palladium-catalyzed synthesis of functionalized bicyclopentanoids.","Organic letters","2004","6","23","4343","4345","10.1021/ol048140r","","","1.54178","CuKα","","0.0824","0.0589","","","0.1538","0.168","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506939","5.794","0.001","7.595","0.002","40.65","0.006","90","","90.91","0.01","90","","1788.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl O4 -","- C19 H23 Cl O4 -","- C76 H92 Cl4 O16 -","4","1","","Hulin, Bernard; Newton, Linda S.; Cabral, Shawn; Walker, Aaron J.; Bordner, Jon","Three-component, stereoselective palladium-catalyzed synthesis of functionalized bicyclopentanoids.","Organic letters","2004","6","23","4343","4345","10.1021/ol048140r","","","1.54178","CuKα","","0.0783","0.0644","","","0.1728","0.1833","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506940","8.748","0.001","9.689","0.001","11.773","0.001","81.91","0.01","85.5","0.01","66.42","0.01","905.18","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","","Hulin, Bernard; Newton, Linda S.; Cabral, Shawn; Walker, Aaron J.; Bordner, Jon","Three-component, stereoselective palladium-catalyzed synthesis of functionalized bicyclopentanoids.","Organic letters","2004","6","23","4343","4345","10.1021/ol048140r","","","1.54178","CuKα","","0.0464","0.0433","","","0.1182","0.122","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506941","20.496","0.003","10.883","0.0016","20.523","0.003","90","","114.23","0.003","90","","4174.5","1.1","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 H50 -","- C60 H50 -","- C240 H200 -","4","0.5","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase.","Organic letters","2004","6","23","4355","4357","10.1021/ol0481434","","","0.71073","MoKα","","0.1152","0.0489","","","0.1062","0.1296","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506942","8.8482","0.0005","17.6806","0.0011","29.5631","0.0019","90","","90","","90","","4624.9","0.5","223","2","223","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C33 H28 -","- C33 H28 -","- C264 H224 -","8","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase.","Organic letters","2004","6","23","4355","4357","10.1021/ol0481434","","","0.71073","MoKα","","0.1468","0.0594","","","0.1224","0.1506","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506943","34.174","0.0017","6.545","0.0003","8.939","0.0006","90","","103.211","0.002","90","","1946.46","0.19","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H22 N O6 V -","- C18 H22 N O6 V -","- C72 H88 N4 O24 V4 -","4","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.1029","0.0742","","","0.1643","0.1972","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506944","6.661","0.0002","9.106","0.0002","32.605","0.001","90","","90","","90","","1977.66","0.1","293","2","293","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C19 H24 N O6 V -","- C19 H24 N O6 V -","- C76 H96 N4 O24 V4 -","4","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.0899","0.0537","","","0.1134","0.143","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506945","9.521","0.002","32.527","0.007","6.7189","0.0013","90","","90","","90","","2080.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N O6 V -","- C19 H24 N O6 V -","- C76 H96 N4 O24 V4 -","4","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.0695","0.0379","","0.0927","0.0824","","","","1.002","1.124","1.124","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506946","11.097","0.0004","7.218","0.0003","13.391","0.0007","90","","105.166","0.002","90","","1035.24","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 N O6 V -","- C22 H22 N O6 V -","- C44 H44 N2 O12 V2 -","2","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.0627","0.0519","","","0.1251","0.1396","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506947","6.36","0.013","7.68","0.03","14.36","0.04","89.06","0.13","79.77","0.17","73.49","0.13","661","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O2 S -","- C13 H16 N2 O2 S -","- C26 H32 N4 O4 S2 -","2","1","","Han, Hoon; Bae, Imhyuck; Yoo, Eun Jeong; Lee, Junseong; Do, Youngkyu; Chang, Sukbok","Notable coordination effects of 2-pyridinesulfonamides leading to efficient aziridination and selective aziridine ring opening.","Organic letters","2004","6","22","4109","4112","10.1021/ol0481784","","","0.71073","MoKα","","0.1226","0.1092","","","0.2914","0.3048","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506948","8.8086","0.0007","8.4239","0.0006","11.2036","0.001","90","","113.233","0.003","90","","763.92","0.11","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C32 H36 O12 -","2","1","","Le, Julie Cong-Dung; Pagenkopf, Brian L.","A new class of substituted aryl bis(oxazoline) ligands for highly enantioselective copper-catalyzed asymmetric aldol addition of dienolsilane to pyruvate and glyoxylate esters.","Organic letters","2004","6","22","4097","4099","10.1021/ol048179w","","","0.71073","MoKα","","0.08","0.0766","","","0.1357","0.1373","","","","","","1.327","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506949","10.2344","0.0002","9.9456","0.0003","15.2225","0.0004","90","","109.187","0.002","90","","1463.39","0.07","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H42 N2 O4 -","- C31 H42 N2 O4 -","- C62 H84 N4 O8 -","2","1","","Le, Julie Cong-Dung; Pagenkopf, Brian L.","A new class of substituted aryl bis(oxazoline) ligands for highly enantioselective copper-catalyzed asymmetric aldol addition of dienolsilane to pyruvate and glyoxylate esters.","Organic letters","2004","6","22","4097","4099","10.1021/ol048179w","","","0.7107","MoKα","","0.0686","0.0429","","","0.0803","0.09","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506950","10.6312","0.0006","13.4978","0.0009","24.4697","0.0016","90","","90","","90","","3511.3","0.4","243","2","243","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 B F9 N2 O4 P S2 -","- C27 H43 B F9 N2 O4 P S2 -","- C108 H172 B4 F36 N8 O16 P4 S8 -","4","1","","Duncan, Andrew P.; Leighton, James L.","Enantioselective Cu-catalyzed conjugate addition of diethylzinc to acyclic aliphatic enones.","Organic letters","2004","6","22","4117","4119","10.1021/ol048191o","","","0.71073","MoKα","","0.0779","0.0526","","","0.1346","0.1472","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506951","8.6269","0.0003","6.722","0.0002","10.4529","0.0003","90","","92.173","0.002","90","","605.73","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C24 H36 O10 -","2","1","","Bravo, Fernando; McDonald, Frank E.; Neiwert, Wade A.; Hardcastle, Kenneth I.","Alkene substituents for selective activation of endo-regioselective polyepoxide oxacyclizations.","Organic letters","2004","6","24","4487","4489","10.1021/ol048212e","","","1.54178","CuKα","","0.0401","0.0375","","","0.1341","0.1563","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506952","7.208","","7.208","","42.0575","0.0005","90","","90","","120","","1892.36","0.02","100","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C11 H17 Br O4 -","- C11 H17 Br O4 -","- C66 H102 Br6 O24 -","6","1","","Bravo, Fernando; McDonald, Frank E.; Neiwert, Wade A.; Hardcastle, Kenneth I.","Alkene substituents for selective activation of endo-regioselective polyepoxide oxacyclizations.","Organic letters","2004","6","24","4487","4489","10.1021/ol048212e","","","1.54178","CuKα","","0.027","0.0251","","","0.0857","0.0979","","","","","","1.152","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506953","12.7183","0.0005","15.7674","0.0007","16.5468","0.0007","67.448","0.002","67.65","0.002","71.824","0.002","2780.2","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 F24 O3 P2 -","- C56 H34 F24 O3 P2 -","- C112 H68 F48 O6 P4 -","2","1","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.1314","0.0973","","","0.2669","0.3056","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506954","28.7227","0.0013","8.4943","0.0004","17.9976","0.001","90","","109.824","0.002","90","","4130.8","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H28 F12 O2 P2 -","- C48 H28 F12 O2 P2 -","- C192 H112 F48 O8 P8 -","4","0.5","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.1205","0.0656","","","0.1655","0.2044","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506955","13.3186","0.0002","14.8047","0.0002","15.3134","0.0003","85.932","0.001","72.993","0.001","73.854","0.001","2773.35","0.08","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 F24 O P2 -","- C56 H34 F24 O P2 -","- C112 H68 F48 O2 P4 -","2","1","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.1398","0.1057","","","0.3239","0.357","","","","","","1.412","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506956","28.4224","0.0006","8.0575","0.0002","18.7865","0.0006","90","","110.05","0.001","90","","4041.61","0.19","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H28 F12 P2 -","- C48 H28 F12 P2 -","- C192 H112 F48 P8 -","4","0.5","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.0753","0.0608","","","0.161","0.1713","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506957","24.287","0.025","5.089","0.007","26.519","0.028","90","","103.94","0.01","90","","3181","6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H41 N3 O8 -","- C30 H41 N3 O8 -","- C120 H164 N12 O32 -","4","1","","Ray, Sudipta; Haldar, Debasish; Drew, Michael G. B.; Banerjee, Arindam","A new motif in the formation of peptide nanotubes: the crystallographic signature.","Organic letters","2004","6","24","4463","4465","10.1021/ol048253a","","","0.71073","MoKα","","0.0909","0.068","","0.1924","0.1703","","","","1.166","1.215","1.215","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506958","24.3","0.029","5.062","0.006","25.97","0.026","90","","102.882","0.01","90","","3114","6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H39 N3 O8 -","- C29 H39 N3 O8 -","- C116 H156 N12 O32 -","4","1","","Ray, Sudipta; Haldar, Debasish; Drew, Michael G. B.; Banerjee, Arindam","A new motif in the formation of peptide nanotubes: the crystallographic signature.","Organic letters","2004","6","24","4463","4465","10.1021/ol048253a","","","0.71073","MoKα","","0.113","0.0776","","0.1839","0.1603","","","","1.185","1.272","1.272","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506959","6.9465","0.0003","13.0021","0.0005","20.3093","0.0008","90","","90","","90","","1834.32","0.13","158","2","158","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O3 S -","- C19 H26 N2 O3 S -","- C76 H104 N8 O12 S4 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.036","0.0307","","","0.0703","0.0729","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506960","7.9972","0.0004","11.8432","0.0005","14.5588","0.0006","90","","90","","90","","1378.9","0.11","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N3 O S -","- C13 H21 N3 O S -","- C52 H84 N12 O4 S4 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0252","0.024","","","0.0623","0.0634","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506961","7.323","0.002","17.75","0.005","19.552","0.005","81.888","0.004","88.834","0.005","88.885","0.005","2515.1","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H42 O3 S2 Si -","- C23 H42 O3 S2 Si -","- C92 H168 O12 S8 Si4 -","4","2","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.1355","0.1218","","","0.3458","0.3552","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506962","14.0471","0.0006","7.9277","0.0003","11.5877","0.0005","90","","102.849","0.001","90","","1258.11","0.09","163","2","163","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H18 O3 S2 -","- C11 H18 O3 S2 -","- C44 H72 O12 S8 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0221","0.0218","","","0.0579","0.0583","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506963","61.439","0.002","10.1168","0.0004","31.402","0.0012","90","","97.819","0.001","90","","19337","1.2","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 N2 O3 S3 -","- C23 H32 N2 O3 S3 -","- C736 H1024 N64 O96 S96 -","32","4","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0917","0.0473","","","0.1009","0.1223","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506964","12.1406","0.0018","13.1539","0.0019","12.965","0.0019","90","","113.258","0.002","90","","1902.2","0.5","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0695","0.0509","","","0.1321","0.1492","","","","","","1.032","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506965","9.4195","0.0003","21.7175","0.0006","10.4372","0.0003","90","","90.8136","0.0007","90","","2134.9","0.11","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl O4 -","- C24 H23 Cl O4 -","- C96 H92 Cl4 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Shibata, Ikuya; Baba, Akio","In- or in(I)-employed diastereoselective Reformatsky-type reactions with ketones: 1H NMR investigations on the active species.","Organic letters","2004","6","24","4475","4478","10.1021/ol0482846","","","0.7107","MoKα","","","0.08","","","","0.1689","","","","","","2.229","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506966","11.847","0.008","8.94","0.007","19.015","0.006","90","","93.27","0.04","90","","2011","2","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br Cl O4 -","- C20 H20 Br Cl O4 -","- C80 H80 Br4 Cl4 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Shibata, Ikuya; Baba, Akio","In- or in(I)-employed diastereoselective Reformatsky-type reactions with ketones: 1H NMR investigations on the active species.","Organic letters","2004","6","24","4475","4478","10.1021/ol0482846","","","0.7107","MoKα","","","0.0589","","","","0.1297","","","","","","1.661","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506967","15.306","0.003","11.1614","0.0018","9.8395","0.0016","90","","94.631","0.003","90","","1675.5","0.5","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","","Andreana, Peter R.; Liu, Chang C.; Schreiber, Stuart L.","Stereochemical control of the Passerini reaction.","Organic letters","2004","6","23","4231","4233","10.1021/ol0482893","","x-ray","0.71073","MoKα","","0.1004","0.073","","","0.1967","0.2173","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506968","9.4372","0.0008","20.8127","0.0016","36.61","0.003","90","","90","","90","","7190.7","1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O4 -","- C17 H18 Br N O4 -","- C272 H288 Br16 N16 O64 -","16","4","","Andreana, Peter R.; Liu, Chang C.; Schreiber, Stuart L.","Stereochemical control of the Passerini reaction.","Organic letters","2004","6","23","4231","4233","10.1021/ol0482893","","","0.71073","MoKα","","0.142","0.0622","","","0.0992","0.1229","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506969","6.1123","0.001","19.495","0.003","9.2417","0.0016","90","","107.676","0.003","90","","1049.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 F2 N2 O3 -","- C10 H12 F2 N2 O3 -","- C40 H48 F8 N8 O12 -","4","1","","Yang, Yan-Yan; Meng, Wei-Dong; Qing, Feng-Ling","Synthesis of 2',3'-dideoxy-6',6'-difluorocarbocyclic nucleosides.","Organic letters","2004","6","23","4257","4259","10.1021/ol0482947","","","0.71073","MoKα","","0.0703","0.0519","","","0.1306","0.1386","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506970","13.6603","0.0009","13.6603","0.0009","40.766","0.004","90","","90","","90","","7607.1","1","293.1","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-methylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C17 H24 N O2 P S -","- C17 H21 N O2 P S -","- C272 H336 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.0586","","","","0.0575","","","","","","0.679","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506971","13.7121","0.0011","13.7121","0.0011","40.339","0.003","90","","90","","90","","7584.6","1","293.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-chlorophenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C16 H21 Cl N O2 P S -","- C16 H21 Cl N O2 P S -","- C256 H336 Cl16 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.0508","","","","0.0472","","","","","","0.556","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506972","13.8231","0.0008","13.8231","0.0008","39.921","0.003","90","","90","","90","","7628","0.8","123.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-bromophenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C16 H21 Br N O2 P S -","- C16 H21 Br N O2 P S -","- C256 H336 Br16 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.1041","","","","0.1137","","","","","","1.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506973","9.882","0.002","10.758","0.002","12.086","0.002","109.18","0.03","93.91","0.03","106.21","0.03","1147","0.5","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H62 Cl2 F12 N8 P2 Pd -","- C36 H62 Cl2 F12 N8 P2 Pd -","- C36 H62 Cl2 F12 N8 P2 Pd -","1","0.5","","Xiao, Ji-Chang; Twamley, Brendan; Shreeve, Jean'ne M.","An ionic liquid-coordinated palladium complex: a highly efficient and recyclable catalyst for the Heck reaction.","Organic letters","2004","6","21","3845","3847","10.1021/ol048327i","","","0.71073","MoKα","","0.0621","0.0495","","","0.1057","0.1112","","","","","","1.079","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1506974","9.6476","0.0017","8.9745","0.0016","11.493","0.002","90","","97.917","0.003","90","","985.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 F3 N O5 S -","- C18 H26 F3 N O5 S -","- C36 H52 F6 N2 O10 S2 -","2","1","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0459","0.0421","","","0.1035","0.1059","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506975","6.4665","0.0004","17.5592","0.001","23.0312","0.0013","90","","90","","90","","2615.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 F3 N O5 S -","- C28 H30 F3 N O5 S -","- C112 H120 F12 N4 O20 S4 -","4","1","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0314","0.0281","","","0.0791","0.0827","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506976","7.3611","0.0006","36.908","0.003","11.4393","0.0009","90","","90.954","0.001","90","","3107.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H42 Cl N O6 -","- C31 H42 Cl N O6 -","- C124 H168 Cl4 N4 O24 -","4","2","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0519","0.0485","","","0.1159","0.1176","","","","","","1.126","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506977","11.692","0.0008","8.756","0.0003","18.745","0.0012","90","","98.724","0.003","90","","1896.82","0.19","298","","","","","","","","","","Nakamura laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 F3 O4 S -","- C19 H21 F3 O4 S -","- C76 H84 F12 O16 S4 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.061","0.056","","0.123","0.123","0.123","","","0.443","0.456","0.456","0.456","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506978","8.134","0.0002","12.218","0.0007","18.929","0.0009","90","","90","","90","","1881.19","0.15","298","","","","","","","","","","Nakamura laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.04","0.039","","0.091","0.091","0.091","","","0.235","0.234","0.234","0.234","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506979","6.368","0.0003","8.179","0.0003","38.824","0.0009","90","","90","","90","","2022.1","0.13","298","","","","","","","","","","Nakamura laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O7 -","- C21 H24 O7 -","- C84 H96 O28 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.044","0.042","","0.094","0.094","0.094","","","0.297","0.294","0.294","0.294","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506980","15.563","0.0009","20.862","0.0011","12.575","0.0004","90","","99.303","0.003","90","","4029.1","0.3","298","","","","","","","","","","Nakamura laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C160 H224 O56 -","8","2","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.081","0.073","","0.186","0.184","0.184","","","0.526","0.552","0.552","0.552","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506981","8.661","0.0004","9.298","0.0007","12.915","0.001","90.589","0.004","99.965","0.005","108.2","0.005","970.81","0.12","298","","","","","","","","","","Nakamura laboratory","4","P -1","-P 1","2","","","","- C17 H26 O6 Si -","- C17 H26 O6 Si -","- C34 H52 O12 Si2 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.054","0.05","","0.103","0.103","0.103","","","0.355","0.347","0.347","0.347","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506982","6.424","0.0014","12.052","0.004","12.936","0.005","106.82","","103.22","0.02","105.12","0.02","873.9","0.5","298","","","","","","","","","","Nakamura laboratory","4","P -1","-P 1","2","","","","- C15 H24 O4 Si -","- C15 H24 O4 Si -","- C30 H48 O8 Si2 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.114","0.079","","0.204","0.197","0.197","","","0.927","0.598","0.598","0.598","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506983","10.319","0.0011","10.573","0.0006","10.446","0.001","90","","114.405","0.005","90","","1037.85","0.17","298","","","","","","","","","","Nakamura laboratory","4","P 1 21 1","P 2yb","4","","","","- C21 H28 O4 Si -","- C21 H28 O4 Si -","- C42 H56 O8 Si2 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.1","0.091","","0.327","0.326","0.326","","","0.933","0.819","0.819","0.819","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506984","14.929","0.002","5.821","0.0003","21.044","0.002","90","","133.076","0.01","90","","1335.8","0.3","298","","","","","","","","","","Nakamura laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O6 -","- C28 H34 O6 -","- C56 H68 O12 -","2","0.5","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.168","0.141","","0.318","0.315","0.315","","","0.983","1.128","1.128","1.128","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506985","12.038","0.002","10.37","0.0006","18.678","0.002","90","","107.431","0.005","90","","2224.6","0.5","298","","","","","","","","","","Nakamura laboratory","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 O9 -","- C24 H24 O9 -","- C96 H96 O36 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.138","0.091","","0.184","0.176","0.176","","","1.348","1.355","1.355","1.355","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506986","9.973","0.0005","11.377","0.001","10.87","0.001","94.578","0.004","99.652","0.005","104.643","0.005","1166.7","0.16","298","","","","","","","","","","Nakamura laboratory","3","P -1","-P 1","2","","","","- C27 H30 O6 -","- C27 H30 O6 -","- C54 H60 O12 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.173","0.167","","0.486","0.486","0.486","","","1.142","1.242","1.242","1.242","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506987","13.4279","0.0002","16.455","0.0002","17.0828","0.0002","90","","90","","90","","3774.55","0.08","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H50 N2 O3 Si2 -","- C40 H50 N2 O3 Si2 -","- C160 H200 N8 O12 Si8 -","4","1","","Palomo, Claudio; Aizpurua, Jesus M.; Ganboa, Iñaki; Benito, Ana; Cuerdo, Lourdes; Fratila, Raluca M.; Jimenez, Azucena; Loinaz, Iraida; Miranda, José I; Pytlewska, Kinga R.; Micle, Andreea; Linden, Anthony","Synthesis of type II beta-turn surrogate dipeptides based on syn-alpha-amino-alpha,beta-dialkyl-beta-lactams.","Organic letters","2004","6","24","4443","4446","10.1021/ol048348c","","","0.71073","MoKα","","0.0721","0.0419","","","0.0858","0.0978","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506988","11.5143","0.0003","13.7567","0.0004","12.1798","0.0004","90","","115.37","0.0013","90","","1743.21","0.09","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H50 N2 O3 Si2 -","- C33 H50 N2 O3 Si2 -","- C66 H100 N4 O6 Si4 -","2","1","","Palomo, Claudio; Aizpurua, Jesus M.; Ganboa, Iñaki; Benito, Ana; Cuerdo, Lourdes; Fratila, Raluca M.; Jimenez, Azucena; Loinaz, Iraida; Miranda, José I; Pytlewska, Kinga R.; Micle, Andreea; Linden, Anthony","Synthesis of type II beta-turn surrogate dipeptides based on syn-alpha-amino-alpha,beta-dialkyl-beta-lactams.","Organic letters","2004","6","24","4443","4446","10.1021/ol048348c","","","0.71073","MoKα","","0.0447","0.04","","","0.0996","0.1042","","","","","","1.08","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506989","22.321","0.005","23.158","0.005","10.204","0.005","90","0.005","90","0.005","90","0.005","5275","3","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C36 H40 S -","- C36 H40 S -","- C288 H320 S8 -","8","0.5","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0459","0.0406","","","0.0903","0.0921","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506990","22.182","0.005","9.474","0.005","19.654","0.005","90","0.005","90","0.005","90","0.005","4130","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H44 Cl10 S Sb -","- C38 H44 Cl10 S Sb -","- C152 H176 Cl40 S4 Sb4 -","4","0.5","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0844","0.0411","","","0.0504","0.0561","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506991","21.228","0.005","13.527","0.005","27.025","0.005","90","0.005","90","0.005","90","0.005","7760","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H42 Cl9 S Sb -","- C37 H42 Cl9 S Sb -","- C296 H336 Cl72 S8 Sb8 -","8","1","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0924","0.043","","","0.053","0.058","","","","","","0.858","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506992","8.66","0.001","13.115","0.001","23.23","0.001","90","","90","","90","","2638.4","0.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C112 H156 N4 O16 -","4","1","","Gudimalla, Nagaraju; Fröhlich, Roland; Hoppe, Dieter","Stereoselective synthesis of Baylis-Hillman-type adducts via allenolates generated by acyl migration.","Organic letters","2004","6","22","4005","4008","10.1021/ol0483908","","","1.54178","CuKα","","0.0714","0.0564","","","0.1411","0.1524","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506993","8.88","0.001","18.897","0.001","14.191","0.001","90","","100.24","0.01","90","","2343.4","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 N O4 -","- C25 H33 N O4 -","- C100 H132 N4 O16 -","4","1","","Gudimalla, Nagaraju; Fröhlich, Roland; Hoppe, Dieter","Stereoselective synthesis of Baylis-Hillman-type adducts via allenolates generated by acyl migration.","Organic letters","2004","6","22","4005","4008","10.1021/ol0483908","","","1.54178","CuKα","","0.0755","0.0535","","","0.1431","0.1581","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506994","8.395","0.001","16.627","0.001","17.977","0.001","90","","92.14","0.01","90","","2507.5","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 N O5 -","- C25 H39 N O5 -","- C100 H156 N4 O20 -","4","1","","Gudimalla, Nagaraju; Fröhlich, Roland; Hoppe, Dieter","Stereoselective synthesis of Baylis-Hillman-type adducts via allenolates generated by acyl migration.","Organic letters","2004","6","22","4005","4008","10.1021/ol0483908","","","1.54178","CuKα","","0.0523","0.0419","","","0.1306","0.1373","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506995","9.286","0.0011","9.9036","0.0012","17.026","0.002","86.919","0.002","78.776","0.002","70.616","0.002","1448.7","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Compound 6","","","- C36 H33 N3 O4 -","- C36 H33 N3 O4 -","- C72 H66 N6 O8 -","2","1","","Hwang, Sung Hee; Lehman, Alan; Cong, Xin; Olmstead, Marilyn M.; Lam, Kit S.; Lebrilla, Carlito B.; Kurth, Mark J.","OBOC small-molecule combinatorial library encoded by halogenated mass-tags.","Organic letters","2004","6","21","3829","3832","10.1021/ol048408e","","","0.71073","MoKα","","0.0637","0.041","","","0.0918","0.0959","","","","","","0.865","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506996","28.551","0.009","5.731","0.002","12.165","0.003","90","","107.15","0.02","90","","1902","1","123.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C42 H40 Cl2 Rh2 -","- C42 H40 Cl2 Rh2 -","- C84 H80 Cl4 Rh4 -","2","0.5","","Shintani, Ryo; Ueyama, Kazuhito; Yamada, Ichiro; Hayashi, Tamio","Chiral norbornadienes as efficient ligands for the rhodium-catalyzed asymmetric 1,4-addition of arylboronic acids to fumaric and maleic compounds.","Organic letters","2004","6","19","3425","3427","10.1021/ol048421z","","","0.7107","MoKα","","","0.038","","","","0.063","","","","","","0.878","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506997","5.321","0.0008","18.986","0.003","9.2062","0.0014","90","","99.43","0.003","90","","917.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H21 F2 N O4 S -","- C17 H21 F2 N O4 S -","- C34 H42 F4 N2 O8 S2 -","2","1","","Wu, Yun-Yun; Zhang, Xingang; Meng, Wei-Dong; Qing, Feng-Ling","Synthesis of new 2',3'-dideoxy-6',6'-difluoro-3'-thionucleoside from gem-difluorohomoallyl alcohol.","Organic letters","2004","6","22","3941","3944","10.1021/ol048423j","","","0.71073","MoKα","","0.0715","0.0528","","","0.0948","0.102","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506998","11.017","0.002","9.2673","0.0019","17.859","0.004","90","","107.935","0.004","90","","1734.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 F2 N O6 -","- C14 H25 F2 N O6 -","- C56 H100 F8 N4 O24 -","4","1","","Wu, Yun-Yun; Zhang, Xingang; Meng, Wei-Dong; Qing, Feng-Ling","Synthesis of new 2',3'-dideoxy-6',6'-difluoro-3'-thionucleoside from gem-difluorohomoallyl alcohol.","Organic letters","2004","6","22","3941","3944","10.1021/ol048423j","","","0.71073","MoKα","","0.1547","0.0543","","","0.1163","0.141","","","","","","0.772","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506999","22.8855","0.0009","16.1409","0.0006","17.7713","0.0007","90","","124.173","0.001","90","","5431.2","0.4","200","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C272 H256 N32 O16 -","8","1","","Zimmerman, Howard E.; Pushechnikov, Alexei","Synthesis of a highly reactive heterocyclic reactant and its unusual photochemistry; mechanistic and exploratory organic photochemistry.","Organic letters","2004","6","21","3779","3780","10.1021/ol048438h","","","0.71073","MoKα","","0.0557","0.0432","","","0.1159","0.131","","","","","","1.111","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507000","8.9324","0.0008","18.4511","0.0016","14.0752","0.0012","90","","92.582","0.002","90","","2317.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N2 O2.5 S -","- C22 H32 N2 O2.4405 S -","- C88 H128 N8 O9.762 S4 -","4","2","","Zhong, Yu-Wu; Xu, Ming-Hua; Lin, Guo-Qiang","Samarium diiodide-induced asymmetric synthesis of optically pure unsymmetrical vicinal diamines by reductive cross-coupling of nitrones with N-tert-butanesulfinyl imines.","Organic letters","2004","6","22","3953","3956","10.1021/ol048444d","","","0.71073","MoKα","","0.1232","0.059","","","0.1309","0.1845","","","","","","0.888","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507001","56.1718","0.0013","10.7872","0.0002","22.9569","0.0006","90","","101.543","0.001","90","","13629.1","0.5","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 Cl3 F6 N3 O15.5 P3 -","- C50 H78 Cl3 F6 N3 O15.5 P3 -","- C400 H624 Cl24 F48 N24 O124 P24 -","8","1","","Hung, Wei-Chung; Liao, Kang-Shyang; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Mild and high-yielding syntheses of diethyl phosphoramidate-stoppered [2]rotaxanes.","Organic letters","2004","6","23","4183","4186","10.1021/ol0484557","","","0.71073","MoKα","","0.2418","0.1386","","","0.3632","0.4067","","","","","","1.224","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507002","6.1035","0.0003","8.9701","0.0005","9.7458","0.0005","117.015","0.001","93.643","0.001","94.915","0.001","470.44","0.04","170.2","","","","","","","","","","","5","P 1","P 1","1","","","","- C16 H28 N2 O5 S -","- C16 H28 N2 O5 S -","- C16 H28 N2 O5 S -","1","1","","Schenkel, Laurie B.; Ellman, Jonathan A.","Self-condensation of N-tert-butanesulfinyl aldimines: application to the rapid asymmetric synthesis of biologically important amine-containing compounds.","Organic letters","2004","6","20","3621","3624","10.1021/ol048458j","","","0.7107","MoKα","","","0.0293","","","","0.0335","","","","","","1.411","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507003","8.2637","0.0004","8.5345","0.0004","21.871","0.001","90","","90","","90","","1542.49","0.13","169.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 N2 O2 S2 -","- C14 H28 N2 O2 S2 -","- C56 H112 N8 O8 S8 -","4","1","","Schenkel, Laurie B.; Ellman, Jonathan A.","Self-condensation of N-tert-butanesulfinyl aldimines: application to the rapid asymmetric synthesis of biologically important amine-containing compounds.","Organic letters","2004","6","20","3621","3624","10.1021/ol048458j","","","0.7107","MoKα","","","0.0335","","","","0.0432","","","","","","1.953","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507004","8.9292","0.0017","13.439","0.003","16.334","0.003","109.518","0.003","99.424","0.004","93.348","0.004","1809","0.6","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 N2 O11 -","- C38 H44 N2 O11 -","- C76 H88 N4 O22 -","2","1","","Davies, Mark W.; Maskell, Lesley; Shipman, Michael; Slawin, Alexandra M. Z.; Vidot, Sandrine M. E.; Whatmore, Jacqueline L.","Studies toward the synthesis of luminacin D: assembly of simplified analogues devoid of the epoxide displaying antiangiogenic activity.","Organic letters","2004","6","22","3909","3912","10.1021/ol048462v","","","0.71073","MoKα","","0.1365","0.0732","","","0.166","0.2","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507005","9.6884","0.0011","17.902","0.002","11.163","0.0013","90","","93.511","0.002","90","","1932.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","03113b","","","- C18 H24 I N O3 -","- C18 H24 I N O3 -","- C72 H96 I4 N4 O12 -","4","2","","Koposov, Alexey Y.; Boyarskikh, Vyacheslav V.; Zhdankin, Viktor V.","Amino acid-derived iodobenzene dicarboxylates: reagents for oxidative conversion of alkenes to amino acid esters.","Organic letters","2004","6","20","3613","3615","10.1021/ol0484714","","","0.71073","MoKα","","0.0648","0.0513","","","0.1318","0.1418","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507006","9.5718","0.0009","6.7804","0.0006","19.5091","0.0018","90","","99.319","0.002","90","","1249.4","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 Cl2 O3 -","- C12 H14 Cl2 O3 -","- C48 H56 Cl8 O12 -","4","2","","Kim, Tae Woo; Kool, Eric T.","A set of nonpolar thymidine nucleoside analogues with gradually increasing size.","Organic letters","2004","6","22","3949","3952","10.1021/ol048487u","","","0.71073","MoKα","","0.0419","0.0345","","","0.0722","0.0742","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507007","36.82","0.003","29.693","0.003","38.2","0.003","90","","113.646","0.002","90","","38257","6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C89 H81 Br N8 O9 -","- C87.885 H36.5 Br0.9 N8 O8.7575 -","- C1406.16 H584 Br14.4 N128 O140.12 -","16","2","","Ihm, Hyejae; Ahn, Jae-Suk; Lah, Myoung Soo; Ko, Young Ho; Paek, Kyungsoo","Oligobisvelcraplex: self-assembled linear oligomer by solvophobic pi-pistacking interaction of bisvelcrands based on resorcin[4]arene.","Organic letters","2004","6","22","3893","3896","10.1021/ol048539f","","","0.71073","MoKα","","0.4691","0.2233","","","0.5004","0.5895","","","","","","1.296","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507008","8.7139","0.0008","12.3265","0.0012","19.2851","0.0019","90","","101.066","0.002","90","","2032.9","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MAGYT03","","","- C24 H26 O3 S -","- C24 H26 O3 S -","- C96 H104 O12 S4 -","4","1","","Magomedov, Nabi A.; Ruggiero, Piero L.; Tang, Yuchen","Chemoselective cyclizations of divinyl ketones to cyclohexenones mediated by Lewis acid and base.","Organic letters","2004","6","19","3373","3375","10.1021/ol048545b","","","0.71073","MoKα","","0.1278","0.0671","","","0.1427","0.1654","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507009","9.1625","0.0006","9.4824","0.0007","11.9168","0.0008","74.035","0.001","74.343","0.001","71.973","0.001","927.03","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGYT04","","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C42 H44 O6 S2 -","2","1","","Magomedov, Nabi A.; Ruggiero, Piero L.; Tang, Yuchen","Chemoselective cyclizations of divinyl ketones to cyclohexenones mediated by Lewis acid and base.","Organic letters","2004","6","19","3373","3375","10.1021/ol048545b","","","0.71073","MoKα","","0.0758","0.0591","","","0.1519","0.1625","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507010","8.3304","0.0002","9.7389","0.0003","11.381","0.0003","75.956","0.001","88.214","0.001","83.302","0.001","889.61","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","MAGYT05","","","- C21 H20 O3 S -","- C21 H20 O3 S -","- C42 H40 O6 S2 -","2","1","","Magomedov, Nabi A.; Ruggiero, Piero L.; Tang, Yuchen","Chemoselective cyclizations of divinyl ketones to cyclohexenones mediated by Lewis acid and base.","Organic letters","2004","6","19","3373","3375","10.1021/ol048545b","","","0.71073","MoKα","","0.058","0.0554","","","0.1447","0.1468","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507011","14.065","0.004","13.737","0.004","21.407","0.006","90","","97.789","0.004","90","","4098","2","173.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl2 F6 P2 Rh Sb -","- C44 H38 Cl2 F6 P2 Rh Sb -","- C176 H152 Cl8 F24 P8 Rh4 Sb4 -","4","1","","Mikami, Koichi; Kataoka, Shohei; Yusa, Yukinori; Aikawa, Kohsuke","Racemic but tropos (chirally flexible) BIPHEP ligands for Rh(I)-complexes: highly enantioselective ene-type cyclization of 1,6-enynes.","Organic letters","2004","6","21","3699","3701","10.1021/ol048604l","","","0.7107","MoKα","","","0.062","","","","0.081","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507012","6.2915","0.001","16.082","0.003","30.679","0.005","90","","90","","90","","3104.1","0.9","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H54 O2 -","- C35 H54 O2 -","- C140 H216 O8 -","4","1","","Chen, Shui-Ling; Hu, Qi-Ying; Loh, Teck-Peng","Highly efficient chemical kinetic resolution of bishomoallylic alcohols: synthesis of (R)-sulcatol.","Organic letters","2004","6","19","3365","3367","10.1021/ol048608q","","","0.71073","MoKα","","0.1117","0.083","","","0.1702","0.1836","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507013","7.8878","0.0011","26.234","0.004","8.5049","0.0012","90","","98.916","0.003","90","","1738.6","0.4","190","2","190","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Shotwell, Sandra; Windscheif, Paul M.; Smith, Mark D.; Bunz, Uwe H. F.","Pyridine-capped, oligomeric (o-phenyleneethynylene)s.","Organic letters","2004","6","23","4151","4154","10.1021/ol048609i","","","0.71073","MoKα","","0.0422","0.0411","","","0.0999","0.1008","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507014","8.7254","0.0006","11.6057","0.0008","14.7488","0.001","95.048","0.001","103.587","0.001","92.874","0.001","1442.23","0.17","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H29 N3 O4 -","- C37 H29 N3 O4 -","- C74 H58 N6 O8 -","2","1","","Shotwell, Sandra; Windscheif, Paul M.; Smith, Mark D.; Bunz, Uwe H. F.","Pyridine-capped, oligomeric (o-phenyleneethynylene)s.","Organic letters","2004","6","23","4151","4154","10.1021/ol048609i","","","0.71073","MoKα","","0.0733","0.0462","","","0.0872","0.0938","","","","","","0.968","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507015","15.6207","0.0014","8.2864","0.0007","25.983","0.002","90","","97.171","0.002","90","","3336.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 N2 O6 -","- C42 H32 N2 O6 -","- C168 H128 N8 O24 -","4","1","","Shotwell, Sandra; Windscheif, Paul M.; Smith, Mark D.; Bunz, Uwe H. F.","Pyridine-capped, oligomeric (o-phenyleneethynylene)s.","Organic letters","2004","6","23","4151","4154","10.1021/ol048609i","","","0.71073","MoKα","","0.0746","0.0482","","","0.0982","0.108","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507016","8.5498","0.0005","14.413","0.001","14.731","0.002","89.934","0.004","90.007","0.006","82.093","0.002","1798","0.3","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cu I N Si -","- C12.8 H15.2 Cu0.8 I0.8 N0.8 Si0.8 -","- C64 H76 Cu4 I4 N4 Si4 -","5","2.5","","Itami, Kenichiro; Ushiogi, Yousuke; Nokami, Toshiki; Ohashi, Youichi; Yoshida, Jun-ichi","Stereoselective synthesis of multisubstituted butadienes through directed Mizoroki-Heck reaction and homocoupling reaction of vinyl(2-pyridyl)silane.","Organic letters","2004","6","21","3695","3698","10.1021/ol048620i","","","0.7107","MoKα","","","0.041","","","","0.068","","","","","","2.25","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507017","6.7316","0.0003","6.8747","0.0004","7.3778","0.0004","97.952","0.002","111.418","0.002","109.334","0.002","286.57","0.03","100","","","","","","","","","","Eschenmoser group","4","P -1","-P 1","2","","","","- C5 H4 N4 O2 -","- C5 H4 N4 O2 -","- C10 H8 N8 O4 -","2","1","","Han, Bo; Jaun, Bernhard; Krishnamurthy, Ramanarayanan; Eschenmoser, Albert","Mannich-type C-nucleosidations in the 5,8-diaza-7,9-dicarba-purine family.","Organic letters","2004","6","21","3691","3694","10.1021/ol048649m","","","0.71073","MoKα","","0.0669","0.0527","","","0.154","0.168","","","","","","1.138","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507018","8.5098","0.0002","11.748","0.0002","12.9896","0.0004","76.8314","0.001","86.725","0.001","68.9497","0.001","1179.64","0.05","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","1","0.5","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.0813","0.0534","","","0.1455","0.1622","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507019","11.223","0.0001","17.554","0.0002","22.035","0.0003","91.115","0.0006","99.432","0.0006","95.104","0.0005","4262.85","0.09","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 S2 Si2 -","- C48 H50 S2 Si2 -","- C192 H200 S8 Si8 -","4","2","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.1675","0.1183","","","0.3257","0.3475","","","","","","2.234","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507020","8.7865","0.0003","17.6967","0.0007","12.1065","0.0005","90","","90.4638","0.0018","90","","1882.4","0.13","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 S2 Si2 -","- C40 H50 S2 Si2 -","- C80 H100 S4 Si4 -","2","0.5","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.1011","0.0452","","","0.086","0.1009","","","","","","1.389","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507021","8.6921","0.0002","17.7256","0.0004","13.3778","0.0003","90","","100.094","0.001","90","","2029.25","0.08","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 S2 Si2 -","- C44 H52 S2 Si2 -","- C88 H104 S4 Si4 -","2","1","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.0958","0.0552","","","0.1131","0.1294","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507022","9.095","0.005","9.85","0.005","24.523","0.005","90","0.005","92.51","0.005","90","0.005","2194.8","1.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-sila-2-indenyl)benzene","","- C26 H26 Si2 -","- C26 H26 Si2 -","- C104 H104 Si8 -","4","1","","Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials.","Organic letters","2004","6","21","3707","3710","10.1021/ol0486932","","","0.71069","MoKα","","0.0583","0.0451","","","0.1092","0.1162","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507023","6.75","0.004","16.542","0.01","20.635","0.012","90","","90","","90","","2304","2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Si2 -","- C26 H26 Si2 -","- C104 H104 Si8 -","4","0.5","","Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials.","Organic letters","2004","6","21","3707","3710","10.1021/ol0486932","","","0.7107","MoKα","","0.0638","0.0574","","","0.1533","0.1597","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507024","10.713","0.001","12.332","0.002","15.377","0.003","82.115","0.012","82.148","0.012","62.851","0.008","1784.3","0.5","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H29 Cl2 N3 S3 -","- C43 H29 Cl2 N3 S3 -","- C86 H58 Cl4 N6 S6 -","2","1","","Okamoto, Toshihiro; Kuratsu, Masato; Kozaki, Masatoshi; Hirotsu, Ken; Ichimura, Akio; Matsushita, Toshio; Okada, Keiji","Remarkable structure deformation in phenothiazine trimer radical cation.","Organic letters","2004","6","20","3493","3496","10.1021/ol048698z","","","0.7107","MoKα","","","0.078","","","","0.173","","","","","","0.926","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507025","27.6","0.03","9.129","0.008","15.39","0.01","90","","94.647","0.013","90","","3865","6","113.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H27 F6 N3 P S3 -","- C42 H27 F6 N3 P S3 -","- C168 H108 F24 N12 P4 S12 -","4","1","","Okamoto, Toshihiro; Kuratsu, Masato; Kozaki, Masatoshi; Hirotsu, Ken; Ichimura, Akio; Matsushita, Toshio; Okada, Keiji","Remarkable structure deformation in phenothiazine trimer radical cation.","Organic letters","2004","6","20","3493","3496","10.1021/ol048698z","","","0.7107","MoKα","","","0.087","","","","0.234","","","","","","0.934","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507026","21.64","0.003","5.7416","0.0007","9.5059","0.0012","90","","92.236","0.002","90","","1180.2","0.3","206","2","206","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 S -","- C12 H15 N O2 S -","- C48 H60 N4 O8 S4 -","4","1","","Dong, Chune; Alper, Howard","Highly regioselective synthesis of tetrahydro-2H-1,3-thiazin-2-ones via rhodium-catalyzed carbonylation of N-alkylisothiazolidines.","Organic letters","2004","6","20","3489","3492","10.1021/ol048706b","","","0.71073","MoKα","","0.0957","0.0609","","","0.1262","0.1377","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507027","9.2256","0.0004","16.5536","0.0008","21.0141","0.001","90","","90","","90","","3209.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Fe N2 O3 P -","- C37 H35 Fe N2 O3 P -","- C148 H140 Fe4 N8 O12 P4 -","4","1","","Hou, Xue-Long; Sun, Na","Construction of chiral quaternary carbon centers by Pd-catalyzed asymmetric allylic substitution with P,N-1,1'-ferrocene ligands.","Organic letters","2004","6","24","4399","4401","10.1021/ol048729q","","","0.71073","MoKα","","0.0995","0.0362","","","0.0482","0.0539","","","","","","0.645","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507028","14.1031","0.0014","14.1003","0.0011","7.1912","0.0007","90","","104.698","0.008","90","","1383.2","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F3 N O -","- C17 H12 F3 N O -","- C68 H48 F12 N4 O4 -","4","1","","Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido","One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.","Organic letters","2004","6","20","3477","3480","10.1021/ol048759t","","","0.71073","MoKα","","0.0541","0.0406","","","0.1028","0.1089","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507029","7.588","0.0008","21.2436","0.0017","7.9723","0.0009","90","","92.095","0.009","90","","1284.2","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido","One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.","Organic letters","2004","6","20","3477","3480","10.1021/ol048759t","","","0.71073","MoKα","","0.047","0.0342","","","0.0856","0.0908","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507030","8.3974","0.0015","9.0952","0.0013","10.0046","0.0015","95.733","0.017","111.551","0.018","97.026","0.019","696.6","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C34 H34 N2 O4 -","2","1","","Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido","One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.","Organic letters","2004","6","20","3477","3480","10.1021/ol048759t","","","0.71073","MoKα","","0.076","0.039","","","0.0831","0.093","","","","","","0.849","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507031","9.8136","0.001","37.446","0.004","15.032","0.0016","90","","90.095","0.002","90","","5524","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H29 N O2 S -","- C34 H29 N O2 S -","- C272 H232 N8 O16 S8 -","8","4","","Hong, Bor-Cherng; Wu, Jian-Lin; Gupta, Arun Kumar; Hallur, Mahanandeesha Siddappa; Liao, Ju-Hsiou","Azadiene Diels-Alder cycloaddition of fulvenes: a facile approach to the [1]pyrindine system","Organic Letters","2004","6","20","3453","3456","10.1021/ol048762c","","","0.71073","MoKα","","0.1334","0.0852","","","0.1495","0.1701","","","","","","1.093","","","","has coordinates","218599","2020-10-21","18:00:00",""
"1507032","17.5841","0.0015","9.7852","0.0008","18.2955","0.0015","90","","110.924","0.001","90","","2940.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Br2 N O2 S -","- C34 H27 Br2 N O2 S -","- C136 H108 Br8 N4 O8 S4 -","4","1","","Hong, Bor-Cherng; Wu, Jian-Lin; Gupta, Arun Kumar; Hallur, Mahanandeesha Siddappa; Liao, Ju-Hsiou","Azadiene Diels-Alder cycloaddition of fulvenes: a facile approach to the [1]pyrindine system","Organic Letters","2004","6","20","3453","3456","10.1021/ol048762c","","","0.71073","MoKα","","0.0611","0.0457","","","0.125","0.1357","","","","","","1.039","","","","has coordinates","218599","2020-10-21","18:00:00",""
"1507033","10.9208","0.0019","19.911","0.004","7.9921","0.0014","90","","90","","90","","1737.8","0.6","206","2","206","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","","Sauer, Effiette L. O.; Barriault, Louis","Studies toward the total synthesis of Wiedemannic acid.","Organic letters","2004","6","19","3329","3332","10.1021/ol0487635","","","0.71073","MoKα","","0.0887","0.0646","","","0.1373","0.1455","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507034","10.848","0.0003","11.075","0.0002","44.85","0.0015","90","","90","","90","","5388.4","0.3","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O3 S -","- C32 H30 N2 O3 S -","- C256 H240 N16 O24 S8 -","8","2","","Scott, Mark E.; Han, Wooseok; Lautens, Mark","A highly diastereoselective MgI2-mediated ring expansion of methylenecyclopropanes.","Organic letters","2004","6","19","3309","3312","10.1021/ol048769u","","","0.71073","MoKα","","0.0604","0.0441","","","0.0983","0.108","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507035","13.408","0.001","15.869","0.001","9.591","0.001","90","","90","","90","","2040.7","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 2","P 2 2ab","18","","(20E,1S,4R,7S,10S,13R,16S)-4,13-dibenzyl-7,8,16,17- di(propane-1,3-diyl)-2,5,8,11,14,17-hexaaza- bicyclo[8.8.4]docos-20-ene-3,6,9,12,15,18-hexaone","","- C36 H52 N6 O11 -","- C36 H52 N6 O11 -","- C72 H104 N12 O22 -","2","0.5","","Giovannoni, Jérôme; Didierjean, Claude; Durand, Philippe; Marraud, Michel; Aubry, André; Renaut, Patrice; Martinez, Jean; Amblard, Muriel","Synthesis and structure of symmetrical bicyclic hexapeptides bridged by metathesis reaction.","Organic letters","2004","6","20","3449","3452","10.1021/ol0487940","","x-ray","1.5418","CuKα","","0.0615","0.0589","","","0.1676","0.1731","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507036","13.815","0.004","30.518","0.009","11.346","0.004","90","","109.457","0.006","90","","4510","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 N O7 -","- C55 H57 N O7 -","- C220 H228 N4 O28 -","4","1","","Bu, Jian-Hua; Zheng, Qi-Yu; Chen, Chuan-Feng; Huang, Zhi-Tang","New fluorescence-quenching process through resumption of PET process induced by complexation of alkali metal ion.","Organic letters","2004","6","19","3301","3303","10.1021/ol0487985","","","0.71073","MoKα","","0.2026","0.0794","","","0.1723","0.2152","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507037","10.057","0.003","5.0142","0.0014","14.802","0.004","90","","102.739","0.006","90","","728.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C34 H30 Br2 O2 -","2","1","","Li, Ming; Yan, Xiao-Xia; Hong, Wei; Zhu, Xia-Zhen; Cao, Bo-Xun; Sun, Jie; Hou, Xue-Long","Palladium-catalyzed enantioselective ring opening of oxabicyclic alkenes with organozinc halides.","Organic letters","2004","6","16","2833","2835","10.1021/ol048816i","","","0.71073","MoKα","","0.1153","0.0676","","","0.1446","0.1676","","","","","","0.928","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507038","4.776","0.001","13.918","0.003","14.7","0.003","90","","90","","90","","977.1","0.4","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C10 H4 S4 -","- C10 H4 S4 -","- C40 H16 S16 -","4","0.5","","Nenajdenko, Valentine G.; Sumerin, Viktor V.; Chernichenko, Konstantin Yu; Balenkova, Elizabeth S.","A new route to annulated oligothiophenes.","Organic letters","2004","6","20","3437","3439","10.1021/ol048835s","","","0.71073","MoKα","","0.035","0.027","","","0.0671","0.0686","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507039","9.62","0.002","13.402","0.002","15.351","0.003","106.18","0.02","96.31","0.02","98.8","0.02","1854","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N6 O6 -","- C42 H42 N6 O6 -","- C84 H84 N12 O12 -","2","1","","Jiang, Hua; Léger, Jean-Michel; Guionneau, Philippe; Huc, Ivan","Strained aromatic oligoamide macrocycles as new molecular clips.","Organic letters","2004","6","17","2985","2988","10.1021/ol0488643","","","1.5418","CuKα","","0.0684","0.0611","","","0.1695","0.1769","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507040","33.03","0.001","33.03","0.001","56.6","0.003","90","","90","","120","","53477","4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C118 H117 Cl N16 O18 -","- C118 H117 Cl N16 O18 -","- C2124 H2106 Cl18 N288 O324 -","18","1","","Jiang, Hua; Léger, Jean-Michel; Guionneau, Philippe; Huc, Ivan","Strained aromatic oligoamide macrocycles as new molecular clips.","Organic letters","2004","6","17","2985","2988","10.1021/ol0488643","","","0.71073","MoKα","","0.2166","0.1258","","","0.3308","0.4137","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507041","11.5732","0.0007","13.1817","0.0008","13.4093","0.0008","90","","94.826","0.001","90","","2038.4","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 F3 N O3 Sn -","- C17 H24 F3 N O3 Sn -","- C68 H96 F12 N4 O12 Sn4 -","4","1","","Schulz, Mark J.; Coats, Steven J.; Hlasta, Dennis J.","Microwave-assisted preparation of aryltetrazoleboronate esters.","Organic letters","2004","6","19","3265","3268","10.1021/ol048896q","","","0.71073","MoKα","","0.0316","0.0288","","","0.0805","0.0823","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507042","9.7408","0.0004","17.4668","0.0007","25.7256","0.0012","90","","90","","90","","4377","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4:15,16-dibenzo-5,8,11,14-tetraoxa-bicyclo[16.3.1]docosa-1(21),3,15,18(22),19-pentaen-22-ol","","- C26 H28 O5 -","- C26 H28 O5 -","- C208 H224 O40 -","8","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.2851","0.067","","","0.0983","0.1496","","","","","","0.936","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507043","15.8459","0.0002","16.8743","0.0003","19.5577","0.0004","71.975","0.001","75.676","0.001","72.658","0.001","4676.92","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo[25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18,24,27(31),28-decaene-31,32-diol aniline solvate","","- C115 H112.5 N4.5 O12 -","- C115 H102 N4.5 O12 -","- C230 H204 N9 O24 -","2","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.2074","0.0681","","","0.1462","0.185","","","","","","0.943","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507044","12.3043","0.0003","12.9833","0.0003","15.1589","0.0004","78.598","0.001","71.58","0.001","64.698","0.001","2071.61","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo[25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18,24,27(31),28-decaene-31,32-diol ethylenediamine/dichloromethane inclusion complex","","- C47 H50 Cl2 N2 O6 -","- C47 H50 Cl2 N2 O6 -","- C94 H100 Cl4 N4 O12 -","2","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.1354","0.0511","","","0.1088","0.1321","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507045","9.2697","0.0003","12.5253","0.0003","12.7887","0.0004","98.471","0.001","107.044","0.001","110.474","0.001","1277.17","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo[25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18,24,27(31),28-decaene-31,32-diol phenylisopropylamine inclusion complex","","- C62 H66 N2 O6 -","- C62 H66 N2 O6 -","- C62 H66 N2 O6 -","1","0.5","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.111","0.0737","","","0.1951","0.2205","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507046","5.8657","0.0002","13.2154","0.0004","30.0592","0.001","90","","90","","90","","2330.12","0.13","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4:15,16-Dibenzo-5,14-dioxa-bicyclo[16.3.1]docosa-1,3,15,17-tetraen-22-one","","- C28 H32 O3 -","- C28 H32 O3 -","- C112 H128 O12 -","4","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","A new family of macrocycles produced by sequential Claisen-Schmidt condensations.","Organic letters","2004","6","19","3257","3259","10.1021/ol048922k","","","0.71073","MoKα","","0.1755","0.0627","","","0.12","0.1505","","","","","","0.901","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507047","11.4843","0.0002","23.5263","0.0003","8.0456","0.0001","90","","90","","90","","2173.79","0.05","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3,4:15,16-Dibenzo-5,8,11,14-tetraoxa-bicyclo[16.3.1]docosa-1,3,15,17-tetraen-22-one","","- C26 H28 O5 -","- C26 H28 O5 -","- C104 H112 O20 -","4","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","A new family of macrocycles produced by sequential Claisen-Schmidt condensations.","Organic letters","2004","6","19","3257","3259","10.1021/ol048922k","","","0.71073","MoKα","","0.073","0.0528","","","0.1377","0.1497","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507048","18.0398","0.0005","8.829","0.0005","25.0282","0.0002","90","","107.302","0.003","90","","3805.9","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo[25.3.1.112,16]-dotriaconta-1,3,9,11,16,18,24,26-octaene-31,32-dione acetonitrile dichloromethane solvate","","- C91.5 H86 Cl3 N O12 -","- C91.5 H83 Cl3 N O12 -","- C183 H166 Cl6 N2 O24 -","2","0.25","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","A new family of macrocycles produced by sequential Claisen-Schmidt condensations.","Organic letters","2004","6","19","3257","3259","10.1021/ol048922k","","","0.71073","MoKα","","0.2822","0.1016","","","0.2066","0.2711","","","","","","0.948","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507049","14.167","0.003","6.0636","0.0011","15.534","0.003","90","","101.632","0.008","90","","1307","0.4","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-(2'-Methylphenyl)ethanol (1S,2R)-2-amino-1,2-diphenylethanol benzoic acid","","- C30 H33 N O4 -","- C30 H33 N O4 -","- C60 H66 N2 O8 -","2","1","","Kobayashi, Yuka; Kodama, Koichi; Saigo, Kazuhiko","Supramolecular architecture consisting of an enantiopure amine and an achiral carboxylic acid: application to the enantioseparation of racemic alcohols.","Organic letters","2004","6","17","2941","2944","10.1021/ol048948b","","","0.7107","MoKα","","","0.062","","","","0.109","","","","","","0.967","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507050","10.471","0.002","9.614","0.002","22.286","0.005","90","","96.47","0.02","90","","2229.2","0.8","302","2","302","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O9 -","- C24 H20 N2 O9 -","- C96 H80 N8 O36 -","4","1","","Lu, Chong-Dao; Chen, Zhi-Yong; Liu, Hui; Hu, Wen-Hao; Mi, Ai-Qiao","Highly chemoselective 2,4,5-triaryl-1,3-dioxolane formation from intermolecular 1,3-dipolar addition of carbonyl ylide with aryl aldehydes.","Organic letters","2004","6","18","3071","3074","10.1021/ol0489494","","","0.71073","MoKα","","0.0626","0.0365","","","0.0836","0.0892","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507051","21.029","0.005","13.441","0.003","8.726","0.002","90","","94.38","0.02","90","","2459.2","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O7 -","- C27 H25 N O7 -","- C108 H100 N4 O28 -","4","1","","Lu, Chong-Dao; Chen, Zhi-Yong; Liu, Hui; Hu, Wen-Hao; Mi, Ai-Qiao","Highly chemoselective 2,4,5-triaryl-1,3-dioxolane formation from intermolecular 1,3-dipolar addition of carbonyl ylide with aryl aldehydes.","Organic letters","2004","6","18","3071","3074","10.1021/ol0489494","","","0.71073","MoKα","","0.0931","0.0386","","","0.0666","0.0757","","","","","","0.81","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507052","14.663","0.003","10.387","0.001","16.994","0.003","90","","110.84","0.01","90","","2418.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O7 -","- C27 H25 N O7 -","- C108 H100 N4 O28 -","4","1","","Lu, Chong-Dao; Chen, Zhi-Yong; Liu, Hui; Hu, Wen-Hao; Mi, Ai-Qiao","Highly chemoselective 2,4,5-triaryl-1,3-dioxolane formation from intermolecular 1,3-dipolar addition of carbonyl ylide with aryl aldehydes.","Organic letters","2004","6","18","3071","3074","10.1021/ol0489494","","","0.71073","MoKα","","0.0802","0.0389","","","0.0791","0.0877","","","","","","0.829","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507053","5.2929","0.0009","12.414","0.002","24.582","0.004","90","","94.917","0.003","90","","1609.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O5 S2 -","- C14 H14 N2 O5 S2 -","- C56 H56 N8 O20 S8 -","4","1","","Sanchez, Sylvie; Bateson, John H.; O'Hanlon, Peter J; Gallagher, Timothy","S-alkyl dithioformates as 1,3-dipolarophiles. Generation of C(2)-unsubstituted penems.","Organic letters","2004","6","16","2781","2783","10.1021/ol048991z","","","0.71073","MoKα","","0.1516","0.0551","","","0.094","0.1172","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507054","16.099","","18.769","","16.86","","90","","91.67","","90","","5092.29","","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 O12 -","- C51 H71 O12 -","- C204 H284 O48 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Martino, Marco; Gavuzzo, Enrico; Neri, Placido","Oxygenation of calixarene phenol rings.","Organic letters","2004","6","18","3027","3030","10.1021/ol048992r","","","1.54178","CuKα","","0.083","0.083","","0.089","0.089","","","","4.234","4.234","4.234","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507055","11.856","0.0003","24.0874","0.0006","24.6255","0.0007","90","","90","","90","","7032.6","0.3","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C71 H72 Cl2 N2 P2 Ru Si2 -","- C71 H72 Cl2 N2 P2 Ru Si2 -","- C284 H288 Cl8 N8 P8 Ru4 Si8 -","4","1","","Hu, Aiguo; Ngo, Helen L.; Lin, Wenbin","4,4'-Disubstituted BINAPs for highly enantioselective Ru-catalyzed asymmetric hydrogenation of ketones.","Organic letters","2004","6","17","2937","2940","10.1021/ol048993j","","","0.71073","MoKα","","0.0692","0.0615","","","0.1763","0.1835","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507056","12.75","0.003","12.54","0.002","33.75","0.007","90","","99.36","0.03","90","","5324.3","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","calixarene","","","- C53 H66 Cl3 N3 O6 -","- C53 H66 Cl3 N3 O6 -","- C212 H264 Cl12 N12 O24 -","4","1","","Yakovenko, Anton V.; Boyko, Vyacheslav I.; Kushnir, Oleg V.; Tsymbal, Ivan F.; Lipkowski, Janusz; Shivanyuk, Alexander; Kalchenko, Vitaly I.","Selective mono-O-acylation of C2V-symmetrical calix[4]arenediols with acylisocyanates.","Organic letters","2004","6","16","2769","2772","10.1021/ol049030n","","","0.71073","MoKα","","0.1338","0.0839","","","0.2227","0.2916","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507057","11.134","0.0005","6.498","0.0003","10.429","0.0005","90","","90","","90","","754.52","0.06","298","","","","","","","","","","Local laboratory","4","P c a 21","P 2c -2ac","29","","7,8-Dithiabicyclo[4.2.1]nonane 7-exo-oxide","","- C7 H8 O S2 -","- C7 H8 O S2 -","- C28 H32 O4 S8 -","4","1","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","0.71073","MoKα","","0.0281","0.0279","","","0.0793","0.0796","","","","","","1.193","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507058","19.794","0.002","6.216","0.0007","12.889","0.0013","90","","90","","90","","1585.9","0.3","298","","","","","","","","","","Local laboratory","4","P c a 21","P 2c -2ac","29","","7,8-Dithiabicyclo[4.2.1]nonane 7-exo, 8-exo-dioxide","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C56 H64 O16 S16 -","8","2","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","0.71073","MoKα","","0.0773","0.069","","","0.1801","0.1868","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507059","6.8235","0.0008","10.803","0.002","11.2552","0.0014","90","","107.058","0.009","90","","793.2","0.2","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","7,8-Dithiabicyclo[4.2.1]nona-2,4-diene 7,7-dioxide","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C28 H32 O8 S8 -","4","1","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","1.54178","CuKα","","0.0357","0.0355","","","0.097","0.097","","","","","","1.142","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507060","25.122","0.008","7.078","0.002","7.922","0.003","90","","90","","90","","1408.6","0.8","298","","","","","","","","","","Local laboratory","4","P n m a","-P 2ac 2n","62","","8-Thiabicyclo[3.2.1]octa-2,6-diene 8,8-dioxide","","- C7 H8 O2 S2 -","- C7 H5 O2 S -","- C56 H40 O16 S8 -","8","1","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","1.54178","CuKα","","0.0993","0.0934","","","0.244","0.2494","","","","","","1.154","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507061","14.0191","0.0002","9.9445","0.0001","18.9747","0.0003","90","","102.571","0.0013","90","","2581.9","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 N4 O8 -","- C60 H62 N4 O8 -","- C120 H124 N8 O16 -","2","0.5","","Suijkerbuijk, Bart M. J. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Pincer-porphyrin hybrids.","Organic letters","2004","6","18","3023","3026","10.1021/ol049034s","","","0.71073","MoKα","","0.0611","0.0443","","","0.1184","0.1299","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507062","15.0209","0.0002","17.1924","0.0002","17.7209","0.0003","68.0524","0.0007","86.0962","0.0007","89.2137","0.0007","4234.49","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H169.93 Cl4 N4 Pd4.04 S8 -","- C160 H169.926 Cl4 N4 Pd4.037 S8 -","- C160 H169.926 Cl4 N4 Pd4.037 S8 -","1","0.5","","Suijkerbuijk, Bart M. J. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Pincer-porphyrin hybrids.","Organic letters","2004","6","18","3023","3026","10.1021/ol049034s","","","0.71073","MoKα","","0.0918","0.0506","","","0.117","0.1277","","","","","","0.994","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507063","8.8599","0.0009","20.656","0.002","9.0612","0.0009","90","","114.216","0.002","90","","1512.4","0.3","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 F3 N O3 -","- C14 H22 F3 N O3 -","- C56 H88 F12 N4 O12 -","4","1","","Wolckenhauer, Scott A.; Rychnovsky, Scott D.","Generation and utility of tertiary alpha-aminoorganolithium reagents.","Organic letters","2004","6","16","2745","2748","10.1021/ol049039p","","","0.71073","MoKα","","0.0633","0.0422","","","0.0958","0.1098","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507064","10.733","0.001","6.3666","0.0005","24.617","0.002","90","","94.813","0.003","90","","1676.2","0.2","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H23 N O3 Si -","- C15 H23 N O3 Si -","- C60 H92 N4 O12 Si4 -","4","1","","Suga, Seiji; Kageyama, Yasuhisa; Babu, Govindarajulu; Itami, Kenichiro; Yoshida, Jun-ichi","Cationic carbohydroxylation of alkenes and alkynes using the cation pool method.","Organic letters","2004","6","16","2709","2711","10.1021/ol049049q","","","0.7107","MoKα","","","0.046","","","","0.016","","","","","","9.488","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507065","8.6888","0.0012","16.996","0.002","43.583","0.006","90","","90","","90","","6436.1","1.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72.1 H84.4 N6 O6.1 -","- C72.1 H78 N6 O6.1 -","- C288.4 H312 N24 O24.4 -","4","1","","Gao, Jian; Zingaro, Ralph A.; Reibenspies, Joseph H.; Martell, Arthur E.","Direct observation of enantioselective synergism at trimetallic centers.","Organic letters","2004","6","14","2453","2455","10.1021/ol049156k","","","0.71073","MoKα","","0.1372","0.0603","","","0.144","0.1575","","","","","","0.832","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507066","15.5481","0.0017","26.735","0.003","27.74","0.003","90","","90","","90","","11531","2","110","2","110","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C46.5 H69 Cl3 N6 O14.5 Zn3 -","- C46.5 H69 Cl3.005 N6 O14.5 Zn3 -","- C372 H552 Cl24.04 N48 O116 Zn24 -","8","1","","Gao, Jian; Zingaro, Ralph A.; Reibenspies, Joseph H.; Martell, Arthur E.","Direct observation of enantioselective synergism at trimetallic centers.","Organic letters","2004","6","14","2453","2455","10.1021/ol049156k","","","0.71073","MoKα","","0.1586","0.0857","","","0.1911","0.2239","","","","","","1.034","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507067","10.9757","0.0013","15.4466","0.0018","13.6421","0.0013","90","","99.547","0.002","90","","2280.8","0.4","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Fujita, Megumi; Qi, Guizhong; Verkerk, Udo H.; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M.","Selective syntheses of partially etherified derivatives of tetrakis(2-hydroxyphenyl)ethene. An alternative to the calix[4]arene ligand system.","Organic letters","2004","6","16","2653","2656","10.1021/ol0491639","","","0.71073","MoKα","","0.2607","0.0659","","","0.1331","0.1837","","","","","","0.771","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507068","8.8406","0.001","9.5462","0.0011","16.604","0.002","88.872","0.002","74.665","0.002","65.16","0.002","1219.7","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O5 -","- C30 H28 O5 -","- C60 H56 O10 -","2","1","","Fujita, Megumi; Qi, Guizhong; Verkerk, Udo H.; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M.","Selective syntheses of partially etherified derivatives of tetrakis(2-hydroxyphenyl)ethene. An alternative to the calix[4]arene ligand system.","Organic letters","2004","6","16","2653","2656","10.1021/ol0491639","","","0.71073","MoKα","","0.1964","0.0578","","","0.1096","0.1516","","","","","","0.807","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507069","11.246","0.0007","14.8004","0.0009","16.0461","0.001","109.146","0.0012","90.7286","0.0012","109.001","0.0011","2364.1","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C49.5 H66.5 Na O5 -","- C49.5 H66.5 Na O5 -","- C99 H133 Na2 O10 -","2","1","","Fujita, Megumi; Qi, Guizhong; Verkerk, Udo H.; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M.","Selective syntheses of partially etherified derivatives of tetrakis(2-hydroxyphenyl)ethene. An alternative to the calix[4]arene ligand system.","Organic letters","2004","6","16","2653","2656","10.1021/ol0491639","","","0.71073","MoKα","","0.1299","0.0938","","","0.2611","0.298","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507070","11.2747","0.0002","12.9814","0.0002","16.4661","0.0004","79.582","0.001","85.451","0.001","85.545","0.001","2357.87","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","resorcinarene","","","- C52 H72 O12 -","- C52 H72 O12 -","- C104 H144 O24 -","2","1","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.0632","0.0521","","","0.1349","0.1433","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507071","16.3988","0.0004","17.0717","0.0004","22.1524","0.0005","97.988","0.001","109.672","0.001","96.773","0.001","5692.1","0.2","173","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H88 O12 -","- C60 H83.5 O12 -","- C240 H334 O48 -","4","2","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.1935","0.0918","","","0.178","0.2202","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507072","18.0215","0.0002","24.0218","0.0003","36.5073","0.0004","90","","90","","90","","15804.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61.75 H66.5 Br4 Cl11.5 O16 -","- C61.75 H66.5 Br4 Cl11.5 O16 -","- C494 H532 Br32 Cl92 O128 -","8","2","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.1125","0.0785","","","0.2057","0.2279","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507073","17.9079","0.0004","16.969","0.0004","22.4574","0.0003","90","","103.24","0.001","90","","6642.9","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65.1 H72 Cl O25.1 -","- C65.11 H72 Cl O25.11 -","- C260.44 H288 Cl4 O100.44 -","4","0.5","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.0975","0.0633","","","0.1745","0.1975","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507074","20.959","0.002","9.5785","0.0009","10.3711","0.001","90","","90","","90","","2082.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H28 N4 O5 -","- C17 H28 N4 O5 -","- C68 H112 N16 O20 -","4","1","","Liu, Ke-Gang; Yan, Shi; Wu, Yu-Lin; Yao, Zhu-Jun","Synthesis of 4-azido-4-deoxy-Neu5,7,8,9Ac42en1Me. A key intermediate for the synthesis of GG167 from D-glucono-delta-lactone.","Organic letters","2004","6","13","2269","2272","10.1021/ol0491890","","","0.71073","MoKα","","0.15","0.0467","","","0.0616","0.0759","","","","","","0.693","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507075","8.2921","0.0017","11.639","0.002","12.066","0.002","64.65","0.03","88.22","0.03","74.29","0.03","1008.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N5 O6 -","- C19 H21 N5 O6 -","- C38 H42 N10 O12 -","2","1","","Mase, Nobuyuki; Thayumanavan, Rajeswari; Tanaka, Fujie; Barbas, 3rd, Carlos F","Direct asymmetric organocatalytic Michael reactions of alpha,alpha-disubstituted aldehydes with beta-nitrostyrenes for the synthesis of quaternary carbon-containing products.","Organic letters","2004","6","15","2527","2530","10.1021/ol049196o","","","0.71073","MoKα","","0.1614","0.074","","","0.1795","0.2328","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507076","28.606","0.011","5.033","0.002","13.201","0.005","90","","111.107","0.006","90","","1773.1","1.2","180","2","180","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","Double-bent [5]phenylene","","","- C30 H14 -","- C30 H14 -","- C120 H56 -","4","0.5","","Bong, Dennis T.-Y.; Chan, Eugene W. L.; Diercks, Rainer; Dosa, Peter I.; Haley, Michael M.; Matzger, Adam J.; Miljanić, Ognjen S; Vollhardt, K Peter C; Bond, Andrew D.; Teat, Simon J.; Stanger, Amnon","Syntheses of syn and anti doublebent [5]phenylene.","Organic letters","2004","6","13","2249","2252","10.1021/ol049225v","","","0.69","synchrotron","","0.0835","0.0567","","","0.1319","0.146","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507077","9.058","0.0018","9.751","0.002","10.809","0.002","76.41","0.03","86.49","0.03","80.15","0.03","914.1","0.3","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O5 S2 -","- C18 H17 N O5 S2 -","- C36 H34 N2 O10 S4 -","2","1","","He, Ling; Chan, Philip Wai Hong; Tsui, Wai-Man; Yu, Wing-Yiu; Che, Chi-Ming","Ruthenium(II) porphyrin-catalyzed amidation of aromatic heterocycles.","Organic letters","2004","6","14","2405","2408","10.1021/ol049232j","","","0.71073","MoKα","","0.0554","0.0477","","","0.145","0.1496","","","","","","1.082","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507078","11.785","0.002","6.113","0.0012","25.017","0.005","90","","101.95","0.03","90","","1763.2","0.6","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N3 O3 S -","- C18 H15 N3 O3 S0.957 -","- C72 H60 N12 O12 S3.828 -","4","1","","He, Ling; Chan, Philip Wai Hong; Tsui, Wai-Man; Yu, Wing-Yiu; Che, Chi-Ming","Ruthenium(II) porphyrin-catalyzed amidation of aromatic heterocycles.","Organic letters","2004","6","14","2405","2408","10.1021/ol049232j","","","0.71073","MoKα","","0.0681","0.0546","","","0.1574","0.1638","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507079","12.8996","0.0003","12.9357","0.0001","22.1831","0.0003","105.044","0.001","92.7318","0.0017","117.366","0.0013","3113.94","0.1","173","","173","","","","","","","","crystallized from diethyl ether/pentane","8","P 1","P 1","1","","(-)-(S)-[(eta4-1,5-cyclooctadiene)-{4-tert-butyl-2-(1-diphenyl- phosphinite-1-methyl-ethyl)-4,5-dihydro-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C124 H104 B2 F48 Ir2 N2 O4 P2 -","- C62 H52 B F24 Ir N O2 P -","- C124 H104 B2 F48 Ir2 N2 O4 P2 -","2","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0429","","","","0.0462","","","","","","1.0325","","","","has coordinates","189985","2020-10-21","18:00:00",""
"1507080","12.7425","0.0001","12.992","0.0001","23.0228","0.0002","87.9035","0.0005","74.6505","0.0005","61.9161","0.0005","3225.32","0.05","173","","173","","","","","","","","crystallized from dichloromethane/pentane","9","P 1","P 1","1","","(-)-(S)-[(eta4-1,5-cyclooctadiene)-{4-isopropyl-2-(1-diphenyl- phosphinite-1-methyl-ethyl)-4,5-dihydro-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C123 H101 B2 Cl3 F48 Ir2 N2 O4 P2 -","- C61.5 H50.5 B Cl1.5 F24 Ir N O2 P -","- C123 H101 B2 Cl3 F48 Ir2 N2 O4 P2 -","2","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0312","","","","0.0355","","","","","","1.0578","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507081","21.1948","0.0005","13.666","0.0002","22.8714","0.0004","90","","108.989","0.0017","90","","6264.2","0.2","193","","193","","","","","","","","crystallised from diethyl ether/pentane","8","P 1 21 1","P 2yb","4","","(-)-[(eta4-1,5-cyclooctadiene)-{(4S)-2-[(2-(diphenylphosphino)- phenyl]-4,5-dihydro-4-isopropyl-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C64 H48 B F24 Ir N O P -","- C64 H48 B F24 Ir N O P -","- C256 H192 B4 F96 Ir4 N4 O4 P4 -","4","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0594","","","","0.0678","","","","","","1.0441","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507082","9.718","0.003","25.585","0.008","11.268","0.004","90","","113.919","0.007","90","","2561","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H74 N2 O7 -","- C57 H74 N2 O7 -","- C114 H148 N4 O14 -","2","1","","Cheng, Xu; Hou, Guo-Hua; Xie, Jian-Hua; Zhou, Qi-Lin","Synthesis and optical resolution of 9,9'-spirobifluorene-1,1'-diol.","Organic letters","2004","6","14","2381","2383","10.1021/ol0492546","","","0.71073","MoKα","","0.2024","0.0687","","","0.0785","0.1083","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507083","10.9347","0.0014","5.099","0.003","13.547","0.002","90","","109.07","0.012","90","","713.9","0.4","293","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Sakurai, Rumiko; Suzuki, Shuji; Hashimoto, Junichi; Baba, Manabu; Itoh, Osamu; Uchida, Akira; Hattori, Tetsutaro; Miyano, Sotaro; Yamaura, Masanori","Epimerization of diastereomeric alpha-amino nitriles to single stereoisomers in the solid state.","Organic letters","2004","6","13","2241","2244","10.1021/ol049256q","","","1.54178","CuKα","","0.123","0.0496","","","0.0987","0.1292","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507084","5.7296","0.0012","11.8879","0.0019","5.0674","0.0008","100.472","0.013","92.263","0.016","83.228","0.015","336.98","0.1","293","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C17 H16 N2 O -","1","1","","Sakurai, Rumiko; Suzuki, Shuji; Hashimoto, Junichi; Baba, Manabu; Itoh, Osamu; Uchida, Akira; Hattori, Tetsutaro; Miyano, Sotaro; Yamaura, Masanori","Epimerization of diastereomeric alpha-amino nitriles to single stereoisomers in the solid state.","Organic letters","2004","6","13","2241","2244","10.1021/ol049256q","","","1.54178","CuKα","","0.0338","0.0312","","","0.0829","0.0887","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507085","9.0453","0.0007","9.5125","0.0008","35.549","0.003","90","","90","","90","","3058.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Br N2 O7 -","- C31.8 H31 Br N2 O7 -","- C127.2 H124 Br4 N8 O28 -","4","1","","Ma, Shengming; Jiao, Ning; Zheng, Zilong; Ma, Zhichao; Lu, Zhan; Ye, Longwu; Deng, Youqian; Chen, Guofei","Cu- and Pd-catalyzed asymmetric one-pot tandem addition-cyclization reaction of 2-(2',3'-alkadienyl)-beta-keto esters, organic halides, and dibenzyl azodicarboxylate: an effective protocol for the enantioselective synthesis of pyrazolidine derivatives.","Organic letters","2004","6","13","2193","2196","10.1021/ol0493498","","","0.71073","MoKα","","0.1458","0.0629","","","0.1517","0.1777","","","","","","0.791","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507086","8.9635","0.0009","10.2834","0.0011","32.786","0.004","90","","90","","90","","3022.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Br N2 O7 -","- C32 H31 Br N2 O7 -","- C128 H124 Br4 N8 O28 -","4","1","","Ma, Shengming; Jiao, Ning; Zheng, Zilong; Ma, Zhichao; Lu, Zhan; Ye, Longwu; Deng, Youqian; Chen, Guofei","Cu- and Pd-catalyzed asymmetric one-pot tandem addition-cyclization reaction of 2-(2',3'-alkadienyl)-beta-keto esters, organic halides, and dibenzyl azodicarboxylate: an effective protocol for the enantioselective synthesis of pyrazolidine derivatives.","Organic letters","2004","6","13","2193","2196","10.1021/ol0493498","","","0.71073","MoKα","","0.1077","0.0469","","","0.0813","0.0928","","","","","","0.797","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507087","9.9862","0.0014","15.134","0.003","17.31","0.004","102.56","0.03","94.34","0.02","107.62","0.02","2405.4","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H62 I2 O5 -","- C53 H62 I2 O5 -","- C106 H124 I4 O10 -","2","1","","Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.; Sage, Ian","Nanoscale aryleneethynylene molecular wires with reversible fluorenone electrochemistry for self-assembly onto metal surfaces.","Organic letters","2004","6","13","2181","2184","10.1021/ol0493608","","","0.71073","MoKα","","0.0848","0.0651","","","0.1958","0.2089","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507088","8.541","0.001","21.607","0.005","34.169","0.008","90","","95.17","0.02","90","","6280","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H78 N2 O5 S2 -","- C75 H78 N2 O5 S2 -","- C300 H312 N8 O20 S8 -","4","0.5","","Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.; Sage, Ian","Nanoscale aryleneethynylene molecular wires with reversible fluorenone electrochemistry for self-assembly onto metal surfaces.","Organic letters","2004","6","13","2181","2184","10.1021/ol0493608","","","0.71073","MoKα","","0.1212","0.0564","","","0.1321","0.1576","","","","","","0.933","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507089","5.8532","0.0004","14.5436","0.001","19.3274","0.0014","90","","90","","90","","1645.3","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methoxyphenyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-methanol","","- C20 H16 N2 O2 S -","- C20 H16 N2 O2 S -","- C80 H64 N8 O8 S4 -","4","1","","Therkelsen, Frans D.; Rottländer, Mario; Thorup, Niels; Pedersen, Erik Bjerregaard","4-metalated condensed pyrimidines: their preparation and reaction with aldehydes under Barbier-type conditions.","Organic letters","2004","6","12","1991","1994","10.1021/ol049432v","","","0.71073","MoKα","","0.0387","0.0367","","","0.0973","0.0985","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507090","13.224","0.001","10.135","0.001","18.076","0.001","90","","108.44","0.01","90","","2298.3","0.3","93.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C112 H128 O16 -","8","2","","Nagao, Yoshimitsu; Tanaka, Satoru; Ueki, Akiharu; Kumazawa, Masunori; Goto, Satoru; Ooi, Takashi; Sano, Shigeki; Shiro, Motoo","New ring-expansion reactions of hydroxy propenoyl cyclic compounds under palladium(0)/phosphine-catalyzed conditions","Organic Letters","2004","6","13","2133","2136","10.1021/ol049450c","","","0.7107","MoKα","","","0.0607","","","","0.0606","","","","","","0.949","","","","has coordinates","275141","2022-05-06","20:13:42",""
"1507091","7.407","0.001","7.833","0.001","30.59","0.002","90","","90","","90","","1774.8","0.3","133.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Nagao, Yoshimitsu; Tanaka, Satoru; Ueki, Akiharu; Kumazawa, Masunori; Goto, Satoru; Ooi, Takashi; Sano, Shigeki; Shiro, Motoo","New ring-expansion reactions of hydroxy propenoyl cyclic compounds under palladium(0)/phosphine-catalyzed conditions","Organic Letters","2004","6","13","2133","2136","10.1021/ol049450c","","","0.7107","MoKα","","","0.0419","","","","0.1155","","","","","","1.337","","","","has coordinates","275141","2022-05-06","20:13:42",""
"1507092","12.2613","0.0005","12.4185","0.0005","23.9133","0.0011","90","","90","","90","","3641.2","0.3","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 Cl N4 O2 Pd -","- C41 H45 Cl N4 O2 Pd -","- C164 H180 Cl4 N16 O8 Pd4 -","4","1","","Takenaka, Kazuhiro; Uozumi, Yasuhiro","Development of chiral pincer palladium complexes bearing a pyrroloimidazolone unit. Catalytic use for asymmetric Michael addition.","Organic letters","2004","6","11","1833","1835","10.1021/ol0494515","","","0.7107","MoKα","","","0.023","","","","0.06","","","","","","0.94","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507093","7.202","0.004","19.885","0.01","17.54","0.009","90","","93.671","0.01","90","","2507","2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glyco-amino-acid","","","- C49 H62 N2 O14 -","- C49 H62 N2 O14 -","- C98 H124 N4 O28 -","2","1","","Sridhar, Perali Ramu; Ashalu, K. Chinna; Chandrasekaran, S.","Efficient methodology for the synthesis of 2-C-branched glyco-amino acids by ring opening of 1,2-cyclopropanecarboxylated sugars.","Organic letters","2004","6","11","1777","1779","10.1021/ol049467v","","","0.71073","MoKα","","0.0873","0.0523","","","0.1089","0.1273","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507094","11.188","0.002","25.291","0.002","29.152","0.005","90","","90","","90","","8249","2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H124 N2 O36 -","- C70.988 H124 N2 O35.994 -","- C283.952 H496 N8 O143.976 -","4","1","","Mieusset, Jean-Luc; Krois, Daniel; Pacar, Mirjana; Brecker, Lothar; Giester, Gerald; Brinker, Udo H.","Supramolecular recognition and structural elucidation of inclusion complexes of an achiral carbene precursor in beta- and permethylated beta-cyclodextrin.","Organic letters","2004","6","12","1967","1970","10.1021/ol049478o","","","0.71073","MoKα","","0.0689","0.0517","","","0.1241","0.1366","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507095","10.646","0.004","18.82","0.01","40.113","0.015","90","","90","","90","","8037","6","243","2","243","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H53 N3 O4 S -","- C42 H53 N3 O4 S -","- C336 H424 N24 O32 S8 -","8","1","","Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean","Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state.","Organic letters","2004","6","12","1963","1966","10.1021/ol049497y","","","0.71073","MoKα","","0.1238","0.0873","","","0.1992","0.2206","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507096","25.021","0.004","9.4409","0.0016","17.902","0.003","90","","99.367","0.003","90","","4172.4","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 N4 O4 S2 -","- C44 H56 N4 O4 S2 -","- C176 H224 N16 O16 S8 -","4","0.5","","Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean","Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state.","Organic letters","2004","6","12","1963","1966","10.1021/ol049497y","","","0.71073","MoKα","","0.1279","0.0983","","","0.2502","0.2745","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507097","19.464","0.004","24.295","0.005","17.955","0.003","90","","94.981","0.004","90","","8458","3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H113 N7 O10 S3 -","- C87.5 H108.5 N7 O9 S3 -","- C350 H434 N28 O36 S12 -","4","1","","Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean","Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state.","Organic letters","2004","6","12","1963","1966","10.1021/ol049497y","","","0.71073","MoKα","","0.1539","0.0949","","","0.2497","0.2836","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507098","11.785","0.004","12.738","0.004","14.103","0.004","90","","110.099","0.004","90","","1988.2","1.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N4 O3 -","- C22 H22 N4 O3 -","- C88 H88 N16 O12 -","4","1","","Quinn, Jordan R.; Zimmerman, Steven C.","With regard to the hydrogen bonding in complexes of pyridylureas, less is more. a role for shape complementarity and CH...O interactions?","Organic letters","2004","6","10","1649","1652","10.1021/ol0495016","","","0.71073","MoKα","","0.0779","0.0498","","","0.1254","0.1408","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1507099","10.895","0.003","10.97","0.003","12.255","0.003","93.396","0.005","96.415","0.004","113.477","0.004","1326.4","0.6","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N7 O3 -","- C29 H31 N7 O3 -","- C58 H62 N14 O6 -","2","1","","Quinn, Jordan R.; Zimmerman, Steven C.","With regard to the hydrogen bonding in complexes of pyridylureas, less is more. a role for shape complementarity and CH...O interactions?","Organic letters","2004","6","10","1649","1652","10.1021/ol0495016","","","0.71073","MoKα","","0.0874","0.0385","","","0.0806","0.0926","","","","","","0.882","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1507100","9.6537","0.0019","10.664","0.002","15.994","0.003","94.77","0.03","97.1","0.03","90.01","0.03","1628.2","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C72 H112 O16 -","4","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.2082","0.1287","","","0.3349","0.3785","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507101","12.081","0.002","8.9358","0.0018","11.019","0.002","90","","113.24","0.03","90","","1093","0.4","293","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.1316","0.0525","","","0.1076","0.1325","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507102","22.1999","0.0019","5.9517","0.0006","16.3776","0.0019","90","","93.251","0.005","90","","2160.4","0.4","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C96 H160 O16 -","8","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.0863","0.0641","","","0.1539","0.1683","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507103","10.8507","0.0002","14.8374","0.0003","14.967","0.0003","90","","91.428","0.001","90","","2408.88","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 O2 -","- C12 H24 O2 -","- C96 H192 O16 -","8","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.0584","0.0459","","","0.1068","0.1135","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507104","7.6129","0.0005","18.6167","0.0015","21.6505","0.0016","90","","93.835","0.004","90","","3061.6","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C136 H152 N8 O40 -","8","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.2361","0.1343","","","0.3323","0.3783","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507105","9.561","0.0003","10.435","0.0003","21.045","0.0008","90","","95.727","0.0013","90","","2089.16","0.12","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 O4 Si2 -","- C48 H58 O4 Si2 -","- C96 H116 O8 Si4 -","2","0.5","","Payne, Marcia M.; Delcamp, Jared H.; Parkin, Sean R.; Anthony, John E.","Robust, soluble pentacene ethers.","Organic letters","2004","6","10","1609","1612","10.1021/ol049593z","","","0.71073","MoKα","","0.0957","0.0544","","","0.1237","0.1402","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507106","9.555","0.0002","9.909","0.0003","11.76","0.0004","73.458","0.0012","83.933","0.0012","73.332","0.0012","1022.16","0.05","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 O4 Si2 -","- C48 H54 O4 Si2 -","- C48 H54 O4 Si2 -","1","0.5","","Payne, Marcia M.; Delcamp, Jared H.; Parkin, Sean R.; Anthony, John E.","Robust, soluble pentacene ethers.","Organic letters","2004","6","10","1609","1612","10.1021/ol049593z","","","0.71073","MoKα","","0.0621","0.0422","","","0.1115","0.121","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507107","7.617","0.001","7.765","0.001","17.539","0.001","93.79","0.01","101.85","0.01","93.84","0.01","1009.6","0.2","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 O4 Si2 -","- C46 H54 O4 Si2 -","- C46 H54 O4 Si2 -","1","0.5","","Payne, Marcia M.; Delcamp, Jared H.; Parkin, Sean R.; Anthony, John E.","Robust, soluble pentacene ethers.","Organic letters","2004","6","10","1609","1612","10.1021/ol049593z","","","0.71073","MoKα","","0.126","0.0605","","","0.127","0.155","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507108","7.9233","0.0006","12.9262","0.0009","18.1699","0.0013","99.297","0.001","92.86","0.001","98.46","0.001","1811.3","0.2","130","0.2","130","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 B F20 Si -","- C38 H23 B F20 Si -","- C76 H46 B2 F40 Si2 -","2","1","","Hassall, Kathryn S.; White, Jonathan M.","Solution and X-ray structure of triethylsilylmethyl-substituted tropylium cation.","Organic letters","2004","6","11","1737","1739","10.1021/ol049613x","","","0.71073","MoKα","","0.0634","0.0443","","","0.0896","0.0963","","","","","","0.931","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507109","5.3875","0.0013","10.514","0.003","13.349","0.003","78.065","0.004","83.763","0.005","79.02","0.004","724.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C28 H44 O8 -","2","1","","Li, Gong-Yong; Che, Chi-Ming","Highly selective intra- and intermolecular coupling reactions of diazo compounds to form cis-alkenes using a ruthenium porphyrin catalyst.","Organic letters","2004","6","10","1621","1623","10.1021/ol049626a","","","0.71073","MoKα","","0.1612","0.0655","","","0.1465","0.1795","","","","","","0.802","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507110","10.6401","0.0015","15.19","0.002","11.1047","0.0015","90","","112.679","0.002","90","","1656","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H26 F2 N O5.5 -","- C15 H26 F2 N O5.5 -","- C60 H104 F8 N4 O22 -","4","2","","Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi","Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.","Organic letters","2004","6","8","1277","1280","10.1021/ol0496327","","","0.71073","MoKα","","0.0324","0.0307","","","0.0684","0.0695","","","","","","1.002","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507111","6.9296","0.001","10.4369","0.0014","12.3706","0.0017","104.018","0.002","103.538","0.002","96.314","0.002","830.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H26 F2 N2 O5 -","- C15 H26 F2 N2 O5 -","- C30 H52 F4 N4 O10 -","2","1","","Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi","Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.","Organic letters","2004","6","8","1277","1280","10.1021/ol0496327","","","0.71073","MoKα","","0.0499","0.0417","","","0.102","0.1066","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507112","8.9703","0.0007","11.8127","0.001","10.8941","0.0009","90","","111.22","0.001","90","","1076.11","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 F2 O4 -","- C10 H16 F2 O4 -","- C40 H64 F8 O16 -","4","1","","Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi","Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.","Organic letters","2004","6","8","1277","1280","10.1021/ol0496327","","","0.71073","MoKα","","0.0357","0.0327","","","0.0832","0.0853","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507113","11.2061","0.0002","11.3867","0.0002","18.0052","0.0003","72.655","0.001","79.218","0.001","84.164","0.001","2151.7","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 F2 N2 O2 -","- C15 H16 F2 N2 O2 -","- C90 H96 F12 N12 O12 -","6","3","","Fustero, Santos; Piera, Julio; Sanz-Cervera, Juan F; Catalán, Silvia; Ramírez de Arellano, Carmen","A versatile synthesis of fluorinated uracils in solution and on solid-phase.","Organic letters","2004","6","9","1417","1420","10.1021/ol049668z","","","0.71073","MoKα","","0.1062","0.063","","","0.1825","0.2055","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507114","5.9234","0.001","10.559","0.0018","11.2497","0.0019","67.095","0.003","85.57","0.003","79.756","0.003","637.78","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","tetrabromobutatriene","","","- C28 H16 Br4 N4 -","- C14 H8 Br2 N2 -","- C28 H16 Br4 N4 -","2","1","","Liu, Pei-Hua; Li, Lei; Webb, Jeffrey A.; Zhang, Yi; Goroff, Nancy S.","Tetrabromobutatriene: completing the perhalocumulene series.","Organic letters","2004","6","13","2081","2083","10.1021/ol049734x","","","0.71073","MoKα","","0.0634","0.0558","","","0.133","0.1378","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507115","8.6234","0.001","12.866","0.0015","13.3868","0.0016","71.469","0.002","74.489","0.002","71.885","0.002","1314.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 Br4 N2 O2 -","- C27 H20 Br4 N2 O2 -","- C54 H40 Br8 N4 O4 -","2","1","","Liu, Pei-Hua; Li, Lei; Webb, Jeffrey A.; Zhang, Yi; Goroff, Nancy S.","Tetrabromobutatriene: completing the perhalocumulene series.","Organic letters","2004","6","13","2081","2083","10.1021/ol049734x","","","0.71073","MoKα","","0.1098","0.0969","","","0.2294","0.2455","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507116","6.1556","0.0006","10.6385","0.0011","12.5323","0.0013","96.315","0.002","98.777","0.002","99.736","0.002","791.6","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N4 O -","- C44 H30 N4 O -","- C44 H30 N4 O -","1","0.5","","Hung, Chen-Hsiung; Wang, Shan-Ling; Ko, Jia-Ling; Peng, Chih-Hsiung; Hu, Ching-Han; Lee, Ming-Tsung","Demetalation of the regioselective oxygenation product of an N-confused porphyrin complex.","Organic letters","2004","6","9","1393","1396","10.1021/ol049757b","","","0.71073","MoKα","","0.0989","0.0676","","","0.1869","0.2015","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507117","6.6176","0.0017","24.138","0.006","22.081","0.006","90","","97.14","0.007","90","","3499.8","1.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47.5 H34 N4 O2 -","- C47.5 H34 N4 O2 -","- C190 H136 N16 O8 -","4","1","","Hung, Chen-Hsiung; Wang, Shan-Ling; Ko, Jia-Ling; Peng, Chih-Hsiung; Hu, Ching-Han; Lee, Ming-Tsung","Demetalation of the regioselective oxygenation product of an N-confused porphyrin complex.","Organic letters","2004","6","9","1393","1396","10.1021/ol049757b","","","0.71073","MoKα","","0.3068","0.0582","","","0.0695","0.0925","","","","","","0.517","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507118","22.939","0.003","7.421","0.0008","23.556","0.003","90","","116.912","0.002","90","","3575.7","0.8","130","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O5 -","- C19 H19 O6 -","- C152 H152 O48 -","8","1","","Hilli, Ferdows; White, Jonathan M.; Rizzacasa, Mark A.","Formal total synthesis of (-)-apicularen A via transannular conjugate addition.","Organic letters","2004","6","8","1289","1292","10.1021/ol0497943","","","","MoKα","","0.1759","0.1061","","","0.3016","0.346","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507119","14.8745","0.0004","6.4555","0.0002","15.485","0.0006","90","","104.52","0.0011","90","","1439.42","0.08","180","","180","","","","","","","","?","3","P 1 21 1","P 2yb","4","","","","- C13 H26 O4 -","- C13 H26 O4 -","- C52 H104 O16 -","4","2","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A","Highly stereoselective intermolecular oxy-michael addition reaction to alpha,beta-unsaturated malonate esters.","Organic letters","2004","6","9","1357","1360","10.1021/ol049820x","","","0.71073","MoKα","","0.0725","0.0431","","0.0445","0.043","0.043","","","","","","1.1157","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507120","9.21","0.002","14.639","0.003","17.498","0.004","90","","90","","90","","2359.2","0.9","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Stierle, Donald B.; Stierle, Andrea A.; Hobbs, J. David; Stokken, Janalee; Clardy, Jon","Berkeleydione and berkeleytrione, new bioactive metabolites from an acid mine organism.","Organic letters","2004","6","6","1049","1052","10.1021/ol049852k","","","0.71073","MoKα","","0.0565","0.0449","","","0.1055","0.1121","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507121","7.0752","0.0006","11.9826","0.0012","9.9718","0.0008","90","","93.814","0.01","90","","843.53","0.13","173","","173","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0418","0.0378","","","0.1023","0.1053","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507122","8.732","0.0005","13.9621","0.0013","21.7439","0.0014","90","","90","","90","","2651","0.3","173","","173","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N5 O7 -","- C23 H35 N5 O7 -","- C92 H140 N20 O28 -","4","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0794","0.0743","","","0.1988","0.2022","","","","","","1.11","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507123","7.8615","0.0009","6.9727","0.0005","8.5838","0.0009","90","","91.877","0.013","90","","470.28","0.08","293","","173","1","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C18 H26 N2 O6 -","2","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0393","0.0347","","","0.0825","0.0846","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507124","11.3701","0.0012","12.0463","0.0013","14.099","0.0016","69.719","0.012","70.868","0.013","63.879","0.012","1590.8","0.4","173","","173","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C60 H78 N6 O24 -","6","3","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.1439","0.0663","","","0.1454","0.1734","","","","","","0.818","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507125","11.9505","0.0008","9.4792","0.0008","15.5098","0.001","90","","102.832","0.008","90","","1713.1","0.2","293","","173","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 N2 O5 -","- C15 H24 N2 O5 -","- C60 H96 N8 O20 -","4","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0449","0.0367","","","0.097","0.101","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507126","10.5733","0.001","8.6107","0.0008","17.3519","0.0016","90","","107.435","0.002","90","","1507.2","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 Ho0 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","2","","Zanatta, Shannon D.; White, Jonathan M.; Rizzacasa, Mark A.","Total synthesis of the proposed structure for spirofungin B: a reassignment of the stereochemistry.","Organic letters","2004","6","6","1041","1044","10.1021/ol049873e","","","","MoKα","","0.0592","0.0478","","","0.104","0.1087","","","","","","0.947","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507127","8.7539","0.0013","14.491","0.002","13.0722","0.0019","90","","95.806","0.003","90","","1649.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","1","","Ng, Danny; Yang, Zhe; Garcia-Garibay, Miguel A","Total synthesis of (+/-)-herbertenolide by stereospecific formation of vicinal quaternary centers in a crystalline ketone.","Organic letters","2004","6","4","645","647","10.1021/ol0499250","","","0.71073","MoKα","","0.0481","0.0352","","","0.0907","0.0975","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507128","10.926","0.002","13.142","0.003","19.484","0.004","89.77","0.03","87.76","0.03","72.31","0.03","2663.3","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H61 Cl F3 N5 O9 S -","- C49 H61 Cl F3 N5 O9 S -","- C98 H122 Cl2 F6 N10 O18 S2 -","2","1","","Oliva, Ana I.; Simón, Luis; Muñiz, Francisco M; Sanz, Francisca; Morán, Joaquín R","Aminopyridine-benzoxanthene enantioselective receptor for sulfonylamino acids.","Organic letters","2004","6","7","1155","1157","10.1021/ol049933g","","","1.5418","CuKα","","0.2371","0.1399","","0.3148","0.2315","","","","1.24","1.281","1.281","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507129","14.771","0.0008","6.763","0.0004","18.517","0.002","90","","97.923","0.002","90","","1832.1","0.2","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C38 H32 Br3 N O7 -","- C38 H32 Br3 N O7 -","- C76 H64 Br6 N2 O14 -","2","1","","Fujita, Tomoya; Nagasawa, Hideko; Uto, Yoshihiro; Hashimoto, Toshihiro; Asakawa, Yoshinori; Hori, Hitoshi","Synthesis of the new mannosidase inhibitors, diversity-oriented 5-substituted swainsonine analogues, via stereoselective Mannich reaction.","Organic letters","2004","6","5","827","830","10.1021/ol049947m","","","0.71073","MoKα","","0.0896","0.058","","","0.1577","0.1826","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507130","11.595","0.001","16.922","0.002","19.919","0.003","90","","106.12","0.01","90","","3754.7","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 B2 Cu F8 N7 O2 -","- C39 H38 B2 Cu F8 N7 O2 -","- C156 H152 B8 Cu4 F32 N28 O8 -","4","1","","Fekner, Tomasz; Gallucci, Judith; Chan, Michael K.","Synthesis and metalation of a chiral, pyridine-strapped, cyclic bis(benzimidazole) ligand.","Organic letters","2004","6","6","989","992","10.1021/ol049954a","","","0.71073","MoKα","","0.0667","0.0515","","0.1367","0.1252","","","","1.026","1.045","1.045","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507131","9.2514","0.0001","7.3897","0.0001","17.753","0.0003","90","","100.55","0.0005","90","","1193.17","0.03","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N6 -","- C30 H26 N6 -","- C60 H52 N12 -","2","0.5","","Fekner, Tomasz; Gallucci, Judith; Chan, Michael K.","Synthesis and metalation of a chiral, pyridine-strapped, cyclic bis(benzimidazole) ligand.","Organic letters","2004","6","6","989","992","10.1021/ol049954a","","","0.71073","MoKα","","0.0613","0.046","","0.1297","0.1193","","","","1.031","1.076","1.076","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507132","10.337","0.004","10.796","0.004","26.783","0.01","90.044","0.008","98.388","0.009","111.731","0.007","2741.9","1.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H50 O2 -","- C84 H50 O2 -","- C168 H100 O4 -","2","1","","Harrington, Laura E.; Britten, James F.; McGlinchey, Michael J.","Dimerization of 9-phenylethynylfluorene to di-indeno-naphthacene and dispiro-[fluorene-dihydronaphthacene-fluorene]: an X-ray crystallographic and NMR study.","Organic letters","2004","6","5","787","790","10.1021/ol049967o","","","0.71073","MoKα","","0.2649","0.0794","","","0.091","0.1336","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513308","9.86","0.002","15.874","0.003","20.79","0.004","81.5","0.03","81.42","0.03","76.87","0.03","3111.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H41 N3 O4 Si -","- C31.5 H41 N3 O4 Si -","- C126 H164 N12 O16 Si4 -","4","2","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative Rearrangement of Imidazoles with Dimethyldioxirane","Organic Letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.0924","0.0564","","0.1881","0.1584","","","","1.135","1.247","1.247","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517156","9.1575","0.0004","9.1575","0.0004","17.92","0.0015","90","","90","","120","","1301.44","0.14","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C57 H69 N3 O9 S3 -","3","1","","Harmata, Michael; Hong, Xuechuan; Barnes, Charles L.","Benzothiazines in synthesis. Toward the synthesis of pseudopteroxazole.","Organic letters","2004","6","13","2201","2203","10.1021/ol049334+","","","0.71073","MoKα","","0.0391","0.0344","","","0.0759","0.0779","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517157","5.4679","0.0009","8.3878","0.0013","45.772","0.007","90","","90","","90","","2099.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C96 H116 N4 O8 S4 -","4","1","","Harmata, Michael; Hong, Xuechuan; Barnes, Charles L.","Benzothiazines in synthesis. Toward the synthesis of pseudopteroxazole.","Organic letters","2004","6","13","2201","2203","10.1021/ol049334+","","","0.71073","MoKα","","0.1553","0.0671","","","0.1479","0.1932","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517158","32.114","0.002","8.7757","0.0003","22.7056","0.0007","90","","118.4","0.001","90","","5628.8","0.4","296.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H29 O2.5 P2 -","- C33 H29 O2.5 P2 -","- C264 H232 O20 P16 -","8","1","","Milton, Marilyn Daisy; Onodera, Gen; Nishibayashi, Yoshiaki; Uemura, Sakae","Double phosphinylation of propargylic alcohols: a novel synthetic route to 1,2-bis(diphenylphosphino)ethane derivatives.","Organic letters","2004","6","22","3993","3995","10.1021/ol048347k","","","0.7107","MoKα","","","0.058","","","","0.183","","","","","","1.439","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517159","9.0468","0.0018","9.605","0.0019","10.503","0.002","76.2","0.03","80.02","0.03","65.93","0.03","806.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Chowdari, Naidu S.; Suri, Jeff T.; Barbas, 3rd, Carlos F","Asymmetric synthesis of quaternary alpha- and beta-amino acids and beta-lactams via proline-catalyzed mannich reactions with branched aldehyde donors.","Organic letters","2004","6","15","2507","2510","10.1021/ol049248+","","","0.71073","MoKα","","0.0757","0.0573","","","0.1426","0.154","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517160","21.56","0.004","31.285","0.006","27.132","0.005","90","","97.14","0.03","90","","18159","6","253","2","253","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C42.5 H53.5 Cl3 N4 O0.25 Pd S2 -","- C42.5 H52 Cl3 N4 O0.25 Pd S2 -","- C680 H832 Cl48 N64 O4 Pd16 S32 -","16","4","","Yang, Dan; Chen, Ying-Chun; Zhu, Nian-Yong","Sterically bulky thioureas as air- and moisture-stable ligands for pd-catalyzed Heck reactions of aryl halides.","Organic letters","2004","6","10","1577","1580","10.1021/ol049697+","","","0.71073","MoKα","","0.1884","0.0806","","","0.2247","0.2675","","","","","","0.879","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517162","13.3697","0.0014","8.2751","0.0009","13.404","0.0015","90","","111.977","0.002","90","","1375.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 I N O -","- C14 H14 I N O -","- C56 H56 I4 N4 O4 -","4","1","","Tang, Yu; Li, Chaozhong","Facile 5-endo amidyl radical cyclization promoted by vinylic iodine substitution.","Organic letters","2004","6","19","3229","3231","10.1021/ol049052+","","","0.71073","MoKα","","0.0668","0.0488","","","0.1222","0.1308","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1556109","16.649","0.002","19.163","0.002","27.224","0.003","90","","90","","89.58","","8685.4","1.7","180","2","180","2","","","","","","","","8","P 1 21 1 (c,2*a+c,b)","P 2yb (-1/2*x+z,1/2*x,y)","4","","","","- C67.5 H54.5 Br2 Cl2 N2 O6 P2 Ru -","- C67.46 H48 Br2 Cl2 N2 O6 P2 Ru -","- C269.84 H192 Br8 Cl8 N8 O24 P8 Ru4 -","4","2","","Xu, Yingjian; Alcock, Nat W.; Clarkson, Guy J.; Docherty, Gordon; Woodward, Gary; Wills, Martin","Asymmetric hydrogenation of ketones using a ruthenium(II) catalyst containing BINOL-derived monodonor phosphorus-donor ligands.","Organic letters","2004","6","22","4105","4107","10.1021/ol0481840","","","0.71073","MoKα","","0.212","0.0962","","","0.2069","0.2447","","","","","","0.85","","","","has coordinates,has disorder","243471","2020-10-21","18:00:00",""