# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T04:30:18+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Organic Chemistry') AND volume = 76 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
"4025918","17.419","0.0017","7.4383","0.0007","19.102","0.002","90","","107.558","0.005","90","","2359.7","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F6 N12 O5 -","- C20 H18 F6 N12 O5 -","- C80 H72 F24 N48 O20 -","4","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0739","0.0616","","","0.1506","0.1525","","","","","","1.076","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025919","9.4341","0.0004","9.6042","0.0005","16.7333","0.0013","95.152","0.005","98.059","0.004","111.604","0.003","1379.16","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C23 H27 Cl3 N12 O2 S2 -","- C23 H27 Cl3 N12 O2 S2 -","- C46 H54 Cl6 N24 O4 S4 -","2","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.1994","0.0892","","","0.1831","0.2195","","","","","","1.004","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025920","7.9366","0.0014","16.99","0.001","19.563","0.001","90","","113.204","0.009","90","","2424.5","0.5","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N12 O2 S2 -","- C20 H26 N12 O2 S2 -","- C80 H104 N48 O8 S8 -","4","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0544","0.0541","","","0.1278","0.1279","","","","","","1.061","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025921","18.1219","0.0019","15.1818","0.0015","17.9876","0.0016","90","","119.062","0.004","90","","4325.7","0.8","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 F21 N12 O14 -","- C30 H21 F21 N12 O14 -","- C120 H84 F84 N48 O56 -","4","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0783","0.0698","","","0.1699","0.1721","","","","","","1.17","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025922","15.4348","0.0004","5.1653","0.0002","12.6502","0.0003","90","","95.858","0.001","90","","1003.28","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 2/c 1","-P 2yc","13","","","","- C18 H22 N12 O2 -","- C18 H22 N12 O2 -","- C36 H44 N24 O4 -","2","0.5","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0456","0.0446","","","0.1381","0.1396","","","","","","1.065","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025923","14.5409","0.0013","14.7369","0.0012","21.9376","0.0017","84.221","0.004","82.535","0.004","69.26","0.004","4351.5","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C59 H56 Cl2 N36 O2 S2 -","- C59 H56 Cl2 N36 O2 S2 -","- C118 H112 Cl4 N72 O4 S4 -","2","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0707","0.0646","","","0.1544","0.1553","","","","","","1.008","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025924","11.0524","0.0002","11.1745","0.0002","11.6989","0.0003","88.33","0.001","67.213","0.001","76.467","0.001","1292.07","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C22 H26 N12 O2 S2 -","- C22 H26 N12 O2 S2 -","- C44 H52 N24 O4 S4 -","2","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.057","0.0537","","","0.128","0.1288","","","","","","1.059","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025925","15.8798","0.0011","15.026","0.0011","8.5564","0.0006","90","","90","","90","","2041.6","0.3","173","2","173","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","3,4-diphenyl-2-methyl-5-methylidene-1-phenylethynylcyclopent-1-ene","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","0.5","","Curtis J. Rieder; Karl J. Winberg; F. G. West","Olefination of α,α'-Divinyl Ketones through Catalytic Meyer-Schuster Rearrangement","Journal of Organic Chemistry","2011","76","","50","56","10.1021/jo101497f","","","0.71073","MoKα","","0.0443","0.0337","","","0.0803","0.0869","","","","","","1.032","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025926","19.739","0.003","11.6636","0.0018","19.941","0.003","90","","98.303","0.006","90","","4542.9","1.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H72 Li4 O8 -","- C40 H72 Li4 O8 -","- C160 H288 Li16 O32 -","4","1","","Gerald Kagan; Weibin Li; Chengzao Sun; Russell Hopson; Paul G. Williard","Synthesis, Characterization, and Reaction of a Ketone-Derived 1,4-Dienolate Compound","Journal of Organic Chemistry","2011","76","","65","70","10.1021/jo1015163","","","0.71073","MoKα","","0.1917","0.0801","","","0.1977","0.2397","","","","","","1.091","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025927","45.395","0.013","9.133","0.003","16.71","0.005","90","","104.389","0.004","90","","6711","4","196","2","196","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C304 H448 O48 -","16","2","","Gerald Kagan; Weibin Li; Chengzao Sun; Russell Hopson; Paul G. Williard","Synthesis, Characterization, and Reaction of a Ketone-Derived 1,4-Dienolate Compound","Journal of Organic Chemistry","2011","76","","65","70","10.1021/jo1015163","","","0.71073","MoKα","","0.0859","0.0608","","","0.1452","0.1642","","","","","","1.037","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025928","14.159","0.002","6.4481","0.0012","30.788","0.009","90","","90","","90","","2810.9","1.1","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C136 H176 O24 -","8","2","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.0823","0.0438","","","0.0915","0.1077","","","","","","1.006","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025929","5.4774","0.0011","9.2965","0.0018","13.809","0.003","101.285","0.003","96.906","0.003","92.077","0.003","683.3","0.2","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.0615","0.0499","","","0.1305","0.1413","","","","","","1.038","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025930","6.464","0.0009","12.269","0.0017","13.6975","0.0018","83.627","0.007","81.274","0.007","79.7","0.008","1052.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Br N O3 -","- C22 H30 Br N O3 -","- C44 H60 Br2 N2 O6 -","2","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.1251","0.0573","","","0.1414","0.1747","","","","","","1.011","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025931","14.528","0.002","13.544","0.002","21.691","0.003","90","","90","","90","","4268.1","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Br N O3 -","- C22 H30 Br N O3 -","- C176 H240 Br8 N8 O24 -","8","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.1615","0.0772","","","0.2","0.2495","","","","","","1.031","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025932","10.137","0.009","7.272","0.007","20.597","0.019","90","","99.252","0.011","90","","1499","2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.7107","MoKα","","0.0919","0.0646","","","0.1736","0.2138","","","","","","1.019","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025933","13.6954","0.0004","6.38506","0.00018","17.6341","0.0006","90","","104.081","0.003","90","","1495.7","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C60 H64 Br4 N4 O20 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0614","0.0476","","","0.1128","0.1183","","","","","","1.042","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025934","6.57204","0.00016","10.0357","0.0004","11.8115","0.0004","95.809","0.003","94.674","0.002","105.721","0.003","741.2","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Br F4 O3 -","- C15 H13 Br F4 O3 -","- C30 H26 Br2 F8 O6 -","2","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0287","0.027","","","0.0665","0.0675","","","","","","1.039","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025935","11.91851","0.00014","6.03915","0.00009","21.21","0.0003","90","","97.2047","0.0012","90","","1514.59","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C60 H64 Br4 N4 O20 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0509","0.0363","","","0.0849","0.0899","","","","","","1.038","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025936","11.0594","0.0006","6.8012","0.0003","20.1769","0.0009","90","","92.102","0.004","90","","1516.63","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br F4 O3 -","- C15 H13 Br F4 O3 -","- C60 H52 Br4 F16 O12 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.1001","0.0627","","","0.1873","0.2129","","","","","","1.101","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025937","13.0338","0.0005","9.1341","0.0004","7.5874","0.0003","90","","93.62","0.003","90","","901.49","0.06","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Br Cl O -","- C8 H12 Br Cl O -","- C32 H48 Br4 Cl4 O4 -","4","0.5","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","0.71073","MoKα","","0.0448","0.0303","","","0.0823","0.092","","","","","","1.091","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025938","11.1774","0.00011","7.41636","0.00011","17.15108","0.00017","90","","101.722","0.001","90","","1392.1","0.03","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H17 Br O3 -","- C15 H17 Br O3 -","- C60 H68 Br4 O12 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0559","0.0488","","","0.0994","0.1012","","","","","","1.295","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025939","7.0794","0.00012","31.7774","0.0003","7.32126","0.00012","90","","117.338","0.002","90","","1463.07","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C60 H64 Br4 N4 O20 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0287","0.0282","","","0.0652","0.0654","","","","","","1.148","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025940","7.08444","0.0001","13.3213","0.0002","31.0102","0.0004","90","","90","","90","","2926.56","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Br F4 O3 -","- C15 H13 Br F4 O3 -","- C120 H104 Br8 F32 O24 -","8","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0372","0.0313","","","0.0853","0.0887","","","","","","1.069","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025941","12.6909","0.0004","8.761","0.0004","8.0814","0.0002","90","","90","","90","","898.53","0.05","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Br Cl O -","- C8.0036 H12.0036 Br1.0018 Cl1.0018 O -","- C32.0144 H48.0144 Br4.0072 Cl4.0072 O4 -","4","0.5","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","0.71073","MoKα","","0.0574","0.0319","","","0.0728","0.0817","","","","","","1.109","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025942","15.516","0.003","11.029","0.0013","16.725","0.002","90","","91.007","0.01","90","","2861.6","0.7","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O4 -","- C15 H16 Cl N O4 -","- C120 H128 Cl8 N8 O32 -","8","2","","Henry Nguyen; Gil Ma; Tatiana Gladysheva; Trisha Fremgen; Daniel Romo","Bioinspired Total Synthesis and Human Proteasome Inhibitory Activity of (-)-Salinosporamide A, (-)-Homosalinosporamide A, and Derivatives Obtained via Organonucleophile Promoted Bis-cyclizations","Journal of Organic Chemistry","2011","76","","2","12","10.1021/jo101638r","","","1.54178","CuKα","","0.0707","0.0425","","","0.0962","0.1038","","","","","","1","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025943","10.6099","0.0007","10.7142","0.0007","13.7817","0.0008","90","","105.557","0.004","90","","1509.26","0.17","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Cl N O4 -","- C15 H20 Cl N O4 -","- C60 H80 Cl4 N4 O16 -","4","2","","Henry Nguyen; Gil Ma; Tatiana Gladysheva; Trisha Fremgen; Daniel Romo","Bioinspired Total Synthesis and Human Proteasome Inhibitory Activity of (-)-Salinosporamide A, (-)-Homosalinosporamide A, and Derivatives Obtained via Organonucleophile Promoted Bis-cyclizations","Journal of Organic Chemistry","2011","76","","2","12","10.1021/jo101638r","","","1.54178","CuKα","","0.0844","0.0537","","","0.112","0.1229","","","","","","1.06","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025944","5.6153","0.0008","16.599","0.002","18.194","0.002","90","","90","","90","","1695.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C76 H60 Br4 O16 -","4","1","","Ying Cheng; Jing An; Liang-Qiu Lu; Lan Luo; Zheng-Yi Wang; Jia-Rong Chen; Wen-Jing Xiao","Asymmetric Cyclopropanation of β,γ-Unsaturated α-Ketoesters with Stabilized Sulfur Ylides Catalyzed by C2-Symmetric Ureas","Journal of Organic Chemistry","2011","76","","281","284","10.1021/jo101699r","","","0.71073","MoKα","","0.0707","0.044","","","0.0993","0.1087","","","","","","1.01","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025945","7.594","0.003","9.67","0.003","27.818","0.008","90","","90","","90","","2042.8","1.2","150","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.1472","0.0448","","","0.0875","0.1033","","","","","","0.727","","","","has coordinates","219285","2020-10-21","18:00:00",""
"4025946","14.4663","0.0004","26.1325","0.0007","17.0631","0.0005","90","","96.133","0.003","90","","6413.6","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H82 N2 O10.5 -","- C68 H82 N2 O10.5 -","- C272 H328 N8 O42 -","4","2","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.1458","0.0863","","","0.1492","0.1814","","","","","","1.07","","","","has coordinates","219285","2020-10-21","18:00:00",""
"4025947","12.4869","0.0006","21.3283","0.0011","13.0729","0.0007","90","","107.35","0.001","90","","3323.2","0.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H91 N2 O13 S2 -","- C70 H91 N2 O13 S2 -","- C140 H182 N4 O26 S4 -","2","1","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.0598","0.0499","","","0.1253","0.1299","","","","","","0.977","","","","has coordinates,has disorder","219285","2020-10-21","18:00:00",""
"4025948","32.186","0.004","11.5459","0.0013","12.7286","0.0015","90","","104.996","0.003","90","","4569.1","0.9","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C39 H44 F6 N2 O10 P -","- C38 H28 F6 N2 O10 P -","- C152 H112 F24 N8 O40 P4 -","4","0.5","","Moorthy Suresh; Amal Kumar Mandal; Manoj K. Kesharwani; N. N. Adarsh; Bishwajit Ganguly; Ravi Kumar Kanaparthi; Anunay Samanta; Amitava Das","Folding and Unfolding Movements in a [2]Pseudorotaxane","Journal of Organic Chemistry","2011","76","","138","144","10.1021/jo101762k","","","0.71073","MoKα","","0.237","0.1828","","","0.4525","0.4747","","","","","","1.493","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025949","12.65","0.004","14.152","0.005","15.8","0.006","90","","111.575","0.014","90","","2630.4","1.6","298.1","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H21 Cl3 O2 -","- C33 H21 Cl3 O2 -","- C132 H84 Cl12 O8 -","4","1","","Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene","Journal of Organic Chemistry","2011","76","","293","296","10.1021/jo101774d","","","0.71075","MoKα","","","0.0688","","","","0.2143","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025950","12.979","0.002","8.4621","0.0015","16.92","0.003","90","","101.129","0.004","90","","1823.4","0.5","298.1","","298","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 O3 -","- C26 H16 O3 -","- C104 H64 O12 -","4","1","","Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene","Journal of Organic Chemistry","2011","76","","293","296","10.1021/jo101774d","","","0.71075","MoKα","","","0.052","","","","0.0468","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025951","12.2401","0.0004","18.7937","0.0007","11.7298","0.0004","90","","90","","90","","2698.29","0.16","298.1","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H32 O3 Si2 -","- C32 H32 O3 Si2 -","- C128 H128 O12 Si8 -","4","0.5","","Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene","Journal of Organic Chemistry","2011","76","","293","296","10.1021/jo101774d","","","0.71075","MoKα","","","0.0632","","","","0.1413","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025952","8.239","0.0009","16.923","0.0005","7.936","0.002","90","","95.924","0.008","90","","1100.6","0.3","198","2","198","2","","","101.3","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","DM226","4-phenyl-1-ethyl-4H-1,2,4-triazolium bromide","","- C10 H12 Br N3 -","- C10 H12 Br N3 -","- C40 H48 Br4 N12 -","4","1","","Dirk Meyer; Thomas Strassner","1,2,4-Triazole-Based Tunable Aryl/Alkyl Ionic Liquids","Journal of Organic Chemistry","2011","76","","305","308","10.1021/jo101784v","","","0.71073","MoKα","","0.0639","0.0323","","","0.0583","0.0661","","","","","","1.04","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025953","10.449","0.002","5.8194","0.0007","23.624","0.011","90","","91.05","0.03","90","","1436.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Alexandre Drouin; Dana K. Winter; Simon Pichette; Samuel Aubert-Nicol; Jean Lessard; Claude Spino","Photochemical Rearrangement of N-Mesyloxylactams: Stereospecific Formation of N-Heterocycles","Journal of Organic Chemistry","2011","76","","164","169","10.1021/jo101805q","","","1.54176","CuKα","","0.151","0.1037","","","0.2997","0.3384","","","","","","1.205","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025954","8.6082","0.001","13.6635","0.0016","21.298","0.003","97.782","0.002","90.026","0.002","102.338","0.002","2423.5","0.5","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 F7 N O6 S4 -","- C20 H10 F7 N O6 S4 -","- C80 H40 F28 N4 O24 S16 -","4","2","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.1564","0.0672","","","0.1771","0.2239","","","","","","0.972","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025955","7.9267","0.0015","8.4428","0.0016","18.761","0.003","85.534","0.003","78.675","0.003","76.174","0.003","1194.8","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H12 F3 N O6 S4 -","- C23 H12 F3 N O6 S4 -","- C46 H24 F6 N2 O12 S8 -","2","1","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0984","0.0542","","","0.1429","0.163","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025956","7.893","0.003","8.096","0.003","16.569","0.006","92.716","0.007","100.458","0.006","107.625","0.006","986.4","0.6","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 F3 N O6 S4 -","- C18 H10 F3 N O6 S4 -","- C36 H20 F6 N2 O12 S8 -","2","1","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0834","0.0423","","","0.0894","0.1023","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025957","8.796","0.004","9.291","0.004","13.986","0.007","74.506","0.008","89.266","0.008","69.251","0.008","1025.8","0.8","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N O6 S4 -","- C19 H15 N O6 S4 -","- C38 H30 N2 O12 S8 -","2","1","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0898","0.0456","","","0.1272","0.1545","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025958","8.3891","0.0004","10.8253","0.0003","34.158","0.001","90","","95.085","0.002","90","","3089.83","0.19","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O4 S4 -","- C14 H10 O4 S4 -","- C112 H80 O32 S32 -","8","2","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0923","0.0461","","","0.0986","0.1116","","","","","","1.058","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025959","8.7378","0.0009","30.43","0.003","10.316","0.0011","90","","103.209","0.007","90","","2670.4","0.5","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H50 N8 O8 -","- C55 H58 N6 O12 -","- C110 H116 N12 O24 -","2","1","","Amol M. Kendhale; Legiso Poniman; Zeyuan Dong; Katta Laxmi-Reddy; Brice Kauffmann; Yann Ferrand; Ivan Huc","Absolute Control of Helical Handedness in Quinoline Oligoamides","Journal of Organic Chemistry","2011","76","","195","200","10.1021/jo1019442","","","1.5418","CuKα","","0.0667","0.0649","","","0.1757","0.1795","","","","","","1.041","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025960","13.94","0.003","13.983","0.003","52.858","0.011","90","","90.15","0.03","90","","10303","4","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110 H124 N12 O19.5 -","- C111.08 H126.85 N12 O19 -","- C444.32 H507.4 N48 O76 -","4","2","","Amol M. Kendhale; Legiso Poniman; Zeyuan Dong; Katta Laxmi-Reddy; Brice Kauffmann; Yann Ferrand; Ivan Huc","Absolute Control of Helical Handedness in Quinoline Oligoamides","Journal of Organic Chemistry","2011","76","","195","200","10.1021/jo1019442","","","1.54178","CuKα","","0.0876","0.0862","","","0.2754","0.2796","","","","","","1.458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025961","11.2296","0.0014","11.7774","0.0017","14.126","0.002","102.296","0.004","91.591","0.004","93.968","0.004","1819.3","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 B10 F12 O -","- C34 H24 B10 F11.757 -","- C68 H48 B20 F23.514 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.1346","0.0865","","","0.1879","0.2208","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025962","10.4393","0.0009","12.2198","0.0013","14.1016","0.0011","98.984","0.003","106.723","0.003","107.19","0.003","1587.6","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 B10 Cl3 -","- C31 H29 B10 Cl3 -","- C62 H58 B20 Cl6 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.0915","0.0574","","","0.1501","0.2145","","","","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025963","8.2198","0.001","10.281","0.0014","18.703","0.003","99.832","0.005","91.778","0.005","110.184","0.004","1454.8","0.4","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 B10 -","- C32 H32 B10 -","- C64 H64 B20 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.1894","0.0856","","","0.1968","0.2848","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025964","8.503","0.001","10.1555","0.0012","18.029","0.002","83.84","0.004","86.802","0.004","74.078","0.004","1487.9","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 B10 O2 -","- C32 H32 B10 O2 -","- C64 H64 B20 O4 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.2348","0.0993","","","0.1594","0.2145","","","","","","1.014","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025965","9.0443","0.0008","16.3435","0.0015","11.2531","0.001","90","","102.295","0.002","90","","1625.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 I N2 -","- C21 H13 I N2 -","- C84 H52 I4 N8 -","4","1","","Huang-Che Ouyang; Ri-Yuan Tang; Ping Zhong; Xing-Guo Zhang; Jin-Heng Li","CuI/I2-Promoted Electrophilic Tandem Cyclization of 2-Ethynylbenzaldehydes with ortho-Benzenediamines: Synthesis of Iodoisoquinoline-Fused Benzimidazoles","Journal of Organic Chemistry","2011","76","","223","228","10.1021/jo102060j","","","0.71073","MoKα","","0.0391","0.0325","","","0.0785","0.0813","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025966","10.529","0.007","15.041","0.01","17.359","0.012","111.84","0.008","90.489","0.008","92.944","0.008","2547","3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diethyl r-4-benzoyl-c-2,c-5-diphenyltetrahydrofuran-3,3-dicarboxylate","","- C58 H56 O12 -","- C58 H56 O12 -","- C116 H112 O24 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.214","0.1279","","","0.3492","0.402","","","","","","1.219","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025967","19.5178","0.0019","8.2127","0.0008","15.4641","0.0015","90","","95.498","0.001","90","","2467.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl r-4-benzoyl-t-2,c-5-diphenyltetrahydrofuran-3,3-dicarboxylate","","- C29 H28 O6 -","- C29 H28 O6 -","- C116 H112 O24 -","4","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0791","0.0463","","","0.1211","0.1357","","","","","","1.256","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025968","9.752","0.003","11.53","0.003","13.417","0.006","106.912","0.004","101.977","0.004","110.918","0.003","1263.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diethyl r-4-benzoyl-t-2,t-5-diphenyltetrahydrofuran-3,3-dicarboxylate","","- C29 H28 O6 -","- C29 H28 O6 -","- C58 H56 O12 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0676","0.0514","","","0.1447","0.1612","","","","","","1.032","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025969","9.2997","0.0011","11.2333","0.0014","11.47","0.0014","109.92","0.001","101.435","0.002","102.394","0.002","1051.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2-(1-benzoyl-2-chloro-2-phenylethyl)malonate","","- C22 H23 Cl O5 -","- C22 H23 Cl O5 -","- C44 H46 Cl2 O10 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0918","0.0637","","","0.1237","0.127","","","","","","2.993","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025970","8.565","0.004","10.946","0.005","14.765","0.007","77.125","0.006","89.991","0.006","83.694","0.005","1340.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl r-4-benzoyl-c-2-(2,4-dichlorophenyl)-c-5-phenyltetrahydrofuran-3,3-dicarboxylate","","- C29 H26 Cl2 O6 -","- C29 H26 Cl2 O6 -","- C58 H52 Cl4 O12 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.1493","0.0611","","","0.1431","0.1922","","","","","","0.941","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025971","25.425","0.008","8.233","0.003","16.032","0.005","90","","128.514","0.003","90","","2625.8","1.5","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Diethyl r-4-benzoyl-t-2-(4-anisyl)-c-5-phenyltetrahydrofuran-3,3-dicarboxylate","","- C30 H30 O7 -","- C30 H30 O7 -","- C120 H120 O28 -","4","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0879","0.0448","","","0.1015","0.1237","","","","","","1.03","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025972","9.858","0.002","12.708","0.003","17.854","0.003","103.988","0.006","93.374","0.005","92.078","0.006","2163.6","0.8","123.2","","123.2","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H54 O14 -","- C47 H30 O14 -","- C94 H60 O28 -","2","1","","Tomoki Ogoshi; Takamichi Aoki; Keisuke Kitajima; Shuhei Fujinami; Tada-aki Yamagishi; Yoshiaki Nakamoto","Facile, Rapid, and High-Yield Synthesis of Pillar[5]arene from Commercially Available Reagents and Its X-ray Crystal Structure","Journal of Organic Chemistry","2011","76","","328","331","10.1021/jo1020823","","","0.7107","MoK?a","","","0.0753","","","","0.1077","","","","","","1.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025973","7.4632","0.0003","22.1589","0.001","9.6495","0.0004","90","","94.64","0.003","90","","1590.57","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Xiao-Feng Xia; Xing-Zhong Shu; Ke-Gong Ji; Ali Shaukat; Xue-Yuan Liu; Yong-Min Liang","Platinum/Scandium-Cocatalyzed Cascade Cyclization and Ring-Opening Reaction of Tertiary Amines with Substituted Salicylaldehydes to Synthesize 3-(Aminoalkyl)coumarins","Journal of Organic Chemistry","2011","76","","342","345","10.1021/jo102219z","","","0.71073","MoKα","","0.0731","0.042","","","0.093","0.1089","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025974","14.9767","0.0017","5.8222","0.0008","17.535","0.002","90","","101.735","0.004","90","","1497","0.3","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Li-Li Zhu; Ya-Hui Wang; Yu-Xin Zhang; Xiao-Xiao Li; Heng Liu; Zili Chen","Gold Catalyzed Carbocyclization of Dienyl Acetates to Construct Mutifunctionalized 3-Vinyl Cyclohexanol Derivatives","Journal of Organic Chemistry","2011","76","","441","449","10.1021/jo1018014","","","0.7107","MoKα","","0.0631","0.0462","","","0.1425","0.1963","","","","","","1.166","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025975","17.771","0.002","5.337","0.0008","20.316","0.003","90","","103.394","0.008","90","","1874.4","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl N O2 S -","- C20 H22 Cl N O2 S -","- C80 H88 Cl4 N4 O8 S4 -","4","1","","Li-Li Zhu; Ya-Hui Wang; Yu-Xin Zhang; Xiao-Xiao Li; Heng Liu; Zili Chen","Gold Catalyzed Carbocyclization of Dienyl Acetates to Construct Mutifunctionalized 3-Vinyl Cyclohexanol Derivatives","Journal of Organic Chemistry","2011","76","","441","449","10.1021/jo1018014","","","0.71075","MoKα","","0.0754","0.0603","","","0.1095","0.1153","","","","","","1.199","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025976","8.7484","0.0002","14.5938","0.0004","9.8507","0.0002","90","","108.899","0.002","90","","1189.86","0.05","200","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0606","0.0469","","","0.1391","0.1574","","","","","","1.135","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025977","6.74","0.02","12.46","0.04","15.25","0.05","90","","91.77","0.07","90","","1280","7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.2822","0.1771","","","0.3848","0.4406","","","","","","1.116","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025978","6.313","0.0002","10.453","0.0003","20.321","0.0007","90.038","0.001","90.026","0.001","90.037","0.002","1340.98","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","2","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0632","0.0431","","","0.1232","0.1461","","","","","","1.062","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025979","7.5626","0.0003","10.9151","0.0003","11.7483","0.0003","108.667","0.001","98.922","0.001","100.822","0.001","877.97","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0671","0.0571","","","0.1653","0.1785","","","","","","1.599","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025980","13.0697","0.0003","7.719","0.0002","18.146","0.0005","90","","98.078","0.001","90","","1812.5","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.1106","0.0816","","","0.228","0.2584","","","","","","1.075","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025981","7.6607","0.0003","7.7335","0.0003","10.9132","0.0004","106.496","0.002","96.783","0.002","106.6","0.002","579.96","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl N2 O4 -","- C11 H9 Cl N2 O4 -","- C22 H18 Cl2 N4 O8 -","2","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0509","0.0443","","","0.118","0.1239","","","","","","1.005","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025982","5.6403","0.0006","7.5628","0.0008","18.575","0.002","90","","91","0.006","90","","792.22","0.15","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0586","0.0512","","","0.119","0.1276","","","","","","1.043","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025983","5.2982","0.0003","10.8741","0.0006","26.5635","0.0019","90","","90","","90","","1530.41","0.16","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(2,2-Dimethyl-propoxycarbonylamino)-2-hydroxy-3-phenyl-propionic acid methyl ester","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0322","0.0306","","","0.077","0.0789","","","","","","1.045","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025984","8.2984","0.0003","5.8941","0.0002","11.0767","0.0008","90","","108.428","0.008","90","","514","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Oxo-4-phenyl-oxazolidine-5-carboxylic acid methyl ester","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0301","0.0271","","","0.0629","0.0658","","","","","","1.088","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025985","10.2606","0.0006","6.0075","0.0003","32.542","0.0018","90","","98.465","0.001","90","","1984.05","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","2","","Sadagopan Raghavan; Vaddela Sudheer Babu; B. Sridhar","Mercury(II)-Mediated Cleavage of Cyclopropylcarbinols by an Intramolecular Sulfinyl Group as a Stereo- and Regioselective Route to Stereotriads and Stereotetrads","Journal of Organic Chemistry","2011","76","","557","565","10.1021/jo1019909","","","0.71073","MoKα","","0.0703","0.0578","","","0.1378","0.1464","","","","","","1.039","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025986","8.767","0.003","8.8718","0.0011","15.547","0.004","93.997","0.014","115.68","0.02","101.219","0.017","1052.6","0.5","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H20 B0 F0 N O0 P -","- C28 H20 N P -","- C56 H40 N2 P2 -","2","1","","Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Anatolyi A. Borisenko; Andrey V. Mironov; Rolf Gleiter; Nikolay S. Zefirov","Photochemical Synthesis of Phosphinolines from Phosphonium-Iodonium Ylides","Journal of Organic Chemistry","2011","76","","566","572","10.1021/jo101993a","","","0.71069","MoKα","","0.0404","0.0404","","","0.0605","0.0605","","","","1.71","1.71","1.71","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025987","6.9349","0.0007","23.64","0.003","8.4832","0.0009","90","","111.194","0.002","90","","1296.7","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-(2,6-dimethoxyphenyl)-2-oxopropyl acetate","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Nayan Ghosh; Sanatan Nayak; Akhila K. Sahoo","Gold-Catalyzed Regioselective Hydration of Propargyl Acetates Assisted by a Neighboring Carbonyl Group: Access to α-Acyloxy Methyl Ketones and Synthesis of (\±)-Actinopolymorphol B","Journal of Organic Chemistry","2011","76","","500","511","10.1021/jo101995g","","","0.71073","MoKα","","0.0543","0.046","","","0.1154","0.1214","","","","","","1.041","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025988","8.132","0.004","8.188","0.004","10.529","0.005","90","","91.449","0.014","90","","700.8","0.6","292","1","292","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H10 Br N O2 -","- C16 H10 Br N O2 -","- C32 H20 Br2 N2 O4 -","2","1","","Claudia De Fusco; Consiglia Tedesco; Alessandra Lattanzi","Organocatalytic Stereoselective Epoxidation of Trisubstituted Acrylonitriles","Journal of Organic Chemistry","2011","76","","676","679","10.1021/jo102020a","","","1.54187","CuKα","","0.0905","0.0638","","","0.1501","0.2247","","","","","","1.021","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025989","11.393","0.002","22.375","0.004","11.623","0.002","90","","103.254","0.003","90","","2884","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H60 F6 N6 Ni2 O6 -","- C62 H60 F6 N6 Ni2 O6 -","- C124 H120 F12 N12 Ni4 O12 -","2","1","","Jiang Wang; Daizong Lin; Shengbin Zhou; Xiao Ding; Vadim A. Soloshonok; Hong Liu","Asymmetric Synthesis of Sterically and Electronically Demanding Linear ω-Trifluoromethyl Containing Amino Acids via Alkylation of Chiral Equivalents of Nucleophilic Glycine and Alanine","Journal of Organic Chemistry","2011","76","","684","687","10.1021/jo102031b","","","0.71073","MoKα","","0.0435","0.0368","","","0.0842","0.0864","","","","","","0.94","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025990","10.2111","0.0002","13.3943","0.0003","12.677","0.0003","90","","108.913","0.001","90","","1640.23","0.06","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Wei Wang; Sarah Ollio; Eberhardt Herdtweck; Alexander Dömling","Polycyclic Compounds by Ugi-Pictet-Spengler Sequence","Journal of Organic Chemistry","2011","76","","637","644","10.1021/jo102058s","","","1.5418","CuKα","","0.0378","0.035","","","0.0907","0.0941","","","","","","1.032","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025991","3.883","0.002","13.708","0.008","6.933","0.004","90","","96.545","0.012","90","","366.6","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","6-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one","","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C18 H16 N4 O2 -","2","1","","Annamária Molnár; Zoltán Mucsi; Gábor Vlád; Kálmán Simon; Tamás Holczbauer; Benjámin Podányi; Ferenc Faigl; István Hermecz","Ring Transformation of Unsaturated N-Bridgehead Fused Pyrimidin-4(3H)-ones: Role of Repulsive Electrostatic Nonbonded Interaction","Journal of Organic Chemistry","2011","76","","696","699","10.1021/jo102079k","","","0.71075","MoKα","","0.0531","0.0456","","","0.1038","0.1077","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025992","11.7943","0.0008","15.034","0.0011","7.5926","0.0005","90","","97.664","0.001","90","","1334.26","0.16","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-Phenyl-4-phenylethynyl-1,2-cyclobutenedione","","","- C18 H10 O2 -","- C18 H10 O2 -","- C72 H40 O8 -","4","1","","Mallesh Beesu; Mariappan Periasamy","Reactive Iron Carbonyl Reagents via Reaction of Metal Alkoxides with Fe(CO)5 or Fe2(CO)9: Synthesis of Cyclobutenediones via Double Carbonylation of Alkynes","Journal of Organic Chemistry","2011","76","","543","549","10.1021/jo102104a","","","0.71073","MoKα","","0.079","0.0507","","","0.1327","0.1519","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025993","16.411","0.003","18.877","0.004","8.4637","0.0017","90","","96.75","0.03","90","","2603.8","0.9","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ferrole complex","[Tricarbonyl-p-(1,1,1-tricarbonyl-4,5-dialkyl- 2,3-diacetyloxyferracyclopentadiene)Iron]'","","- C26 H16 Fe2 O10 -","- C26 H16 Fe2 O10 -","- C104 H64 Fe8 O40 -","4","1","","Mallesh Beesu; Mariappan Periasamy","Reactive Iron Carbonyl Reagents via Reaction of Metal Alkoxides with Fe(CO)5 or Fe2(CO)9: Synthesis of Cyclobutenediones via Double Carbonylation of Alkynes","Journal of Organic Chemistry","2011","76","","543","549","10.1021/jo102104a","","","0.71073","MoKα","","0.044","0.0366","","","0.0915","0.0959","","","","","","1.038","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025994","10.1709","0.0002","10.2671","0.0002","17.9713","0.0004","90","","90","","90","","1876.66","0.07","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N3 O4 -","- C18 H27 N3 O4 -","- C72 H108 N12 O16 -","4","1","","Valérie Declerck; David J. Aitken","N-Aminoazetidinecarboxylic Acid: Direct Access to a Small-Ring Hydrazino Acid","Journal of Organic Chemistry","2011","76","","708","711","10.1021/jo102108t","","x-ray","0.71073","MoKα","","0.049","0.038","","","0.0956","0.1023","","","","","","1.031","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025995","10.598","0.003","12.828","0.004","14.885","0.005","90","","90","","90","","2023.6","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 Cl2 Cu N3 -","- C17 H31 Cl2 Cu N3 -","- C68 H124 Cl8 Cu4 N12 -","4","1","","Yirong Zhou; Junfang Dong; Fanglin Zhang; Yuefa Gong","Synthesis of C1-Symmetric Chiral Secondary Diamines and Their Applications in the Asymmetric Copper(II)-Catalyzed Henry (Nitroaldol) Reactions","Journal of Organic Chemistry","2011","76","","588","600","10.1021/jo102124d","","","0.71073","MoKα","","0.0439","0.0416","","","0.104","0.1052","","","","","","1.02","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025996","3.7285","0.0018","30.356","0.015","11.801","0.006","90","","93.334","0.009","90","","1333.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H8 Br2 F8 N4 -","- C34 H8 Br2 F8 N4 -","- C68 H16 Br4 F16 N8 -","2","0.5","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0994","0.0895","","","0.2146","0.219","","","","","","1.227","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025997","10.2372","0.0009","7.3908","0.0007","34.902","0.003","90","","93.567","0.002","90","","2635.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H16 F6 N4 -","- C36 H16 F6 N4 -","- C144 H64 F24 N16 -","4","1","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0855","0.0583","","","0.1379","0.1516","","","","","","1.056","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025998","6.9689","0.0004","10.5536","0.0007","16.8584","0.001","82.549","0.001","86.086","0.001","73.071","0.001","1175.53","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H14 F4 N4 -","- C34 H14 F4 N4 -","- C68 H28 F8 N8 -","2","1","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0835","0.0505","","","0.1299","0.1453","","","","","","1.046","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025999","11.602","0.004","3.726","0.0013","28.062","0.01","90","","96.652","0.006","90","","1204.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H8 F10 N4 -","- C34 H8 F10 N4 -","- C68 H16 F20 N8 -","2","0.5","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0808","0.0517","","","0.1366","0.1518","","","","","","1.017","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4026000","7.985","0.004","11.766","0.006","16.176","0.008","80.477","0.011","79.834","0.009","74.24","0.008","1428.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H16 F34 N4 O16 -","- C50 H16 F34 N4 O16 -","- C50 H16 F34 N4 O16 -","1","0.5","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.1399","0.0806","","","0.155","0.1899","","","","","","1.033","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026001","11.2936","0.0015","7.2657","0.001","17.145","0.002","90","","96.463","0.007","90","","1397.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang","Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles","Journal of Organic Chemistry","2011","76","","744","747","10.1021/jo1023014","","","0.71073","MoKα","","0.0579","0.0424","","","0.1095","0.1237","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026002","7.4091","0.0017","10.304","0.002","10.827","0.002","65.477","0.003","74.681","0.002","83.961","0.003","725.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C36 H36 N4 -","2","1","","Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang","Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles","Journal of Organic Chemistry","2011","76","","744","747","10.1021/jo1023014","","","0.71073","MoKα","","0.1146","0.0685","","","0.1932","0.2256","","","","","","1.049","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026003","8.3","0.02","17.24","0.04","8.57","0.02","90","","94.73","0.02","90","","1222","5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang","Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles","Journal of Organic Chemistry","2011","76","","744","747","10.1021/jo1023014","","","0.71073","MoKα","","0.0783","0.0465","","","0.1227","0.1442","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026004","40.421","0.012","11.179","0.003","16.906","0.005","90","","95.979","0.006","90","","7598","4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H28 Cl4 O8 -","- C46 H28 Cl4 O8 -","- C368 H224 Cl32 O64 -","8","1","","Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou","Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles","Journal of Organic Chemistry","2011","76","","971","973","10.1021/jo101959w","","","0.71075","MoKα","","0.1093","0.1071","","","0.316","0.3185","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026005","15.849","0.005","15.849","0.005","26.95","0.009","90","","90","","120","","5863","3","153","2","153","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C45 H44 O7 -","- C45 H43.99 O7 -","- C270 H263.94 O42 -","6","0.333333","","Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou","Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles","Journal of Organic Chemistry","2011","76","","971","973","10.1021/jo101959w","","","0.71075","MoKα","","0.0839","0.0835","","","0.24","0.2405","","","","","","1.128","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026006","16.6442","0.0016","16.6442","0.0016","27.928","0.003","90","","90","","120","","6700.3","1.2","153","2","153","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C94 H88 Cl12 O12 -","- C94 H88 Cl12 O12 -","- C282 H264 Cl36 O36 -","3","0.166667","","Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou","Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles","Journal of Organic Chemistry","2011","76","","971","973","10.1021/jo101959w","","","0.71075","MoKα","","0.1113","0.1111","","","0.3909","0.3914","","","","","","1.908","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026007","10.234","0.002","12.588","0.002","14.136","0.003","90","","90","","90","","1821.1","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O3 -","- C19 H25 N3 O3 -","- C76 H100 N12 O12 -","4","1","","Alessandro Sacchetti; Alessandra Silvani; Giordano Lesma; Tullio Pilati","Phe-Ala-Based Diazaspirocyclic Lactam as Nucleator of Type II' β-Turn","Journal of Organic Chemistry","2011","76","","833","839","10.1021/jo1019927","","","0.71073","MoKα","","0.0576","0.0331","","","0.0707","0.0774","","","","","","0.934","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026008","4.73","0.002","11.618","0.004","8.805","0.004","90","","101.32","0.04","90","","474.4","0.3","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H16 O3 -","- C9 H16 O3 -","- C18 H32 O6 -","2","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.0796","0.0582","","","0.1188","0.1253","","","","","","1.027","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026009","4.751","0.003","11.952","0.005","8.898","0.005","90","","100.92","0.06","90","","496.1","0.5","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H16 O3 -","- C9 H16 O3 -","- C18 H32 O6 -","2","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.1124","0.0729","","","0.1418","0.1565","","","","","","1.015","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026010","8.003","0.0003","11.3185","0.0004","11.6939","0.0005","90","","92.069","0.004","90","","1058.57","0.07","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","2","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.034","0.0285","","","0.0697","0.0717","","","","","","1.031","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026011","7.8612","0.001","11.9639","0.0009","16.3656","0.0012","90","","90","","90","","1539.2","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O3 -","- C15 H28 O3 -","- C60 H112 O12 -","4","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.0573","0.0423","","","0.0862","0.0941","","","","","","1.151","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026012","9.4955","0.001","6.7112","0.0007","13.9717","0.0015","90","","100.821","0.001","90","","874.53","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O8 -","- C17 H18 N2 O8 -","- C34 H36 N4 O16 -","2","1","","Xuesen Fan; Yangyang Wang; Yingying Qu; Haiyun Xu; Yan He; Xinying Zhang; Jianji Wang","Tandem Reactions Leading to Bicyclic Pyrimidine Nucleosides and Benzopyran-4-ones","Journal of Organic Chemistry","2011","76","","982","985","10.1021/jo102131y","","","0.71073","MoKα","","0.0332","0.0303","","","0.0793","0.0818","","","","","","1.052","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026013","8.205","0.004","7.938","0.004","19.842","0.009","90","","92.846","0.006","90","","1290.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F5 O2 -","- C14 H9 F5 O2 -","- C56 H36 F20 O8 -","4","1","","Huaiqing Zhao; Ye Wei; Jing Xu; Jian Kan; Weiping Su; Maochun Hong","Pd/PR3-Catalyzed Cross-Coupling of Aromatic Carboxylic Acids with Electron-Deficient Polyfluoroarenes via Combination of Decarboxylation with sp2 C-H Cleavage","Journal of Organic Chemistry","2011","76","","882","893","10.1021/jo102175f","","","0.71073","MoKα","","0.1074","0.0561","","","0.1368","0.1632","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026014","45.766","0.02","6.164","0.003","14.24","0.006","90","","99.34","0.014","90","","3964","3","150","","150.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C184 H200 N8 O24 S8 -","8","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Intramolecular Charge-Transfer-Induced Decomposition Promoted by an Aprotic Polar Solvent for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2011","76","","902","908","10.1021/jo1021822","","","0.71075","MoKα","","","0.0737","","","","0.1892","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026015","20.663","0.003","14.7908","0.0016","6.0694","0.0007","90","","90","","90","","1854.9","0.4","190","2","190","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Joseph J. Topczewski; John G. Kodet; David F. Wiemer","Exploration of Cascade Cyclizations Terminated by Tandem Aromatic Substitution: Total Synthesis of (+)-Schweinfurthin A","Journal of Organic Chemistry","2011","76","","909","919","10.1021/jo1022102","","","0.71073","MoKα","","0.0521","0.0465","","","0.129","0.135","","","","","","1.075","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026016","15.4896","0.0013","6.3827","0.0005","22.4035","0.0015","90","","121.467","0.004","90","","1889.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 O7 P -","- C16 H23 O7 P -","- C64 H92 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1335","0.0678","","","0.1473","0.1708","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026017","13.9539","0.0013","9.861","0.0009","16.9007","0.0016","90","","111.638","0.002","90","","2161.7","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Cl2 O7 P -","- C17 H25 Cl2 O7 P -","- C68 H100 Cl8 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1082","0.0853","","","0.1886","0.2013","","","","","","1.122","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026018","16.4839","0.0011","6.674","0.0004","22.516","0.002","90","","120.625","0.006","90","","2131.6","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H25 O7 P -","- C21 H25 O7 P -","- C84 H100 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0823","0.0447","","","0.0991","0.1084","","","","","","0.88","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026019","17.863","0.003","24.4265","0.0019","16.784","0.002","90","","118.377","0.018","90","","6443.4","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C109 H125 Cl3 O48 P4 -","- C109 H125 Cl3 O48 P4 -","- C218 H250 Cl6 O96 P8 -","2","0.25","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1626","0.0807","","","0.2176","0.2903","","","","","","0.982","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026020","9.7156","0.0004","12.7031","0.0006","20.613","0.001","90","","112.62","0.004","90","","2348.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 O7 P -","- C23 H27 O7 P -","- C92 H108 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0868","0.0595","","","0.1789","0.1919","","","","","","1.06","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026021","14.9743","0.0008","10.9942","0.0006","18.6852","0.001","90","","91.759","0.001","90","","3074.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 O12 P -","- C29 H35 O12 P -","- C116 H140 O48 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0594","0.047","","","0.1235","0.1313","","","","","","1.037","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026022","11.7888","0.0017","14.997","0.002","16.96","0.004","90","","112.545","0.016","90","","2769.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 O4 P -","- C34 H31 O4 P -","- C136 H124 O16 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0508","0.035","","","0.0857","0.0913","","","","","","1.031","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026023","9.9415","0.0002","27.0182","0.0006","14.0924","0.0004","90","","124.847","0.002","90","","3106.47","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 Cl2 O5 P -","- C36 H35 Cl2 O5 P -","- C144 H140 Cl8 O20 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0995","0.0684","","","0.1751","0.1876","","","","","","1.073","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026024","9.315","0.005","10.467","0.006","11.211","0.006","76.848","0.009","76.187","0.01","75.85","0.01","1012.5","1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O3 -","- C26 H22 O3 -","- C52 H44 O6 -","2","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1344","0.0785","","","0.164","0.1891","","","","","","1.043","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026025","9.8726","0.0006","11.7485","0.0007","14.2263","0.0009","94.02","0.001","91.421","0.001","111.263","0.001","1531.73","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 O2 P -","- C40 H35 O2 P -","- C80 H70 O4 P2 -","2","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0518","0.0457","","","0.11","0.1136","","","","","","1.042","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026026","13.2152","0.0016","14.2689","0.0015","17.5","0.003","90","","121.267","0.01","90","","2820.6","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 O4 P -","- C34 H35 O4 P -","- C136 H140 O16 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0831","0.0446","","","0.1052","0.1148","","","","","","0.938","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026027","15.8406","0.0019","14.0154","0.0011","19.0996","0.0019","90","","108.257","0.012","90","","4026.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 O4 P -","- C40 H39 O4 P -","- C160 H156 O16 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1515","0.0807","","","0.2574","0.289","","","","","","0.918","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026028","9.9536","0.0008","16.2868","0.0013","15.5212","0.001","90","","112.478","0.004","90","","2325","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 O3 P -","- C28 H27 O3 P -","- C112 H108 O12 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.062","0.0528","","","0.1219","0.1269","","","","","","1.12","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026029","23.597","0.009","13.366","0.005","6.132","0.003","90","","90","","90","","1934","1.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H23 O3 P -","- C22 H23 O3 P -","- C88 H92 O12 P4 -","4","0.5","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0711","0.0679","","","0.1397","0.1414","","","","","","1.256","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026030","15.88","0.0015","9.9538","0.0009","15.133","0.0014","90","","107.287","0.001","90","","2284","0.4","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C29 H23 O P -","- C29 H23 O P -","- C116 H92 O4 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0396","0.0381","","","0.0926","0.0938","","","","","","1.076","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026031","16.291","0.006","12.324","0.004","10.331","0.004","90","","90","","90","","2074.2","1.3","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H30 O6 P2 -","- C18 H30 O6 P2 -","- C72 H120 O24 P8 -","4","0.5","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0531","0.0463","","","0.1234","0.1292","","","","","","1.102","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026032","10.3316","0.0007","16.5344","0.0011","17.8866","0.0016","90","","108.912","0.007","90","","2890.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 O5 P -","- C35 H33 O5 P -","- C140 H132 O20 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0615","0.0383","","","0.0906","0.0956","","","","","","0.958","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026033","7.4997","0.0004","7.9251","0.0004","19.9447","0.0011","90","","90","","90","","1185.43","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","","Heinz Langhals; Alexander Hofer; Stefan Bernhard; Jay S. Siegel; Peter Mayer","Axially Chiral Bichromophoric Fluorescent Dyes","Journal of Organic Chemistry","2011","76","","990","992","10.1021/jo102254a","","","0.71073","MoKα","","0.0534","0.0333","","","0.07","0.074","","","","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026034","9.306","0.002","13.832","0.001","14.42","0.003","90","","90","","90","","1856.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","2","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71069","MoKα","","0.0935","0.0385","","","0.0812","0.0948","","","","","","1.042","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026035","8.553","0.0006","8.7103","0.0007","12.809","0.005","80.9","0.01","89.75","0.01","74.15","0.007","905.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","2","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71069","MoKα","","0.0735","0.0445","","","0.1122","0.1254","","","","","","1.048","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026036","4.5881","0.0007","14.0647","0.0009","10.4202","0.0006","90","","96.511","0.009","90","","668.08","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71069","MoKα","","0.0539","0.0384","","","0.0983","0.1052","","","","","","1.024","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026037","4.5474","0.0003","14.3702","0.0013","10.3498","0.0017","90","","102.456","0.009","90","","660.41","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71073","MoKα","","0.0671","0.0447","","","0.1188","0.1294","","","","","","1.067","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026038","10.574","0.004","17.64","0.007","12.926","0.005","90","","91.566","0.008","90","","2410.1","1.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Ren-Jie Song; Yu Liu; Yan-Yun Liu; Jin-Heng Li","Palladium-Catalyzed Conjugate Addition to Electron-Deficient Alkynes with Benzenesulfinic Acid Derived from 1,2-Bis(phenylsulfonyl)ethane: Selective Synthesis of (E)-Vinyl Sulfones","Journal of Organic Chemistry","2011","76","","1001","1004","10.1021/jo102359n","","","0.71073","MoKα","","0.1273","0.1114","","","0.2208","0.2286","","","","","","1.333","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026039","11.4296","0.0006","12.6286","0.0006","15.0391","0.0009","105.039","0.001","90.962","0.001","107.601","0.001","1987.52","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C76.5 H101 Cl N12 O12 S4 -","- C35 H43 N5 O5 S2 -","- C70 H86 N10 O10 S4 -","2","1","","Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler","N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies","Journal of Organic Chemistry","2011","76","","1005","1012","10.1021/jo101882r","","","0.71073","MoKα","","0.0855","0.0525","","","0.125","0.1341","","","","","","1.14","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026040","23.5509","0.0015","23.5509","0.0015","14.5959","0.0009","90","","90","","90","","8095.5","0.9","153","2","153","2","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C80 H108 Cl N9 O8 S4 -","- C64 H64 Cl N8 O8 S4 -","- C256 H256 Cl4 N32 O32 S16 -","4","0.25","","Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler","N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies","Journal of Organic Chemistry","2011","76","","1005","1012","10.1021/jo101882r","","","0.71073","MoKα","","0.1379","0.0861","","","0.2084","0.2295","","","","","","1.124","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026041","12.817","0.003","17.885","0.006","13.861","0.005","90","","98.261","0.011","90","","3144.4","1.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 N4 O5 S2 -","- C33 H39 N4 O5 S2 -","- C132 H156 N16 O20 S8 -","4","1","","Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler","N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies","Journal of Organic Chemistry","2011","76","","1005","1012","10.1021/jo101882r","","","0.71073","MoKα","","0.2844","0.0922","","","0.1696","0.237","","","","","","1.007","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026042","8.491","0.006","9.669","0.007","20.46","0.014","90","","90","","90","","1680","2","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Shin Ando; Amy L. Grote; Kazunori Koide","Diastereoselective Synthesis of Diketopiperazine Bis-α,β-epoxides","Journal of Organic Chemistry","2011","76","","1155","1158","10.1021/jo102096d","","","0.71073","MoKα","","0.1927","0.0868","","","0.1815","0.2213","","","","","","0.891","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026043","14.326","0.004","15.14","0.004","24.246","0.006","90","","91.927","0.005","90","","5256","2","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C240 H216 N24 O48 -","12","1.5","","Shin Ando; Amy L. Grote; Kazunori Koide","Diastereoselective Synthesis of Diketopiperazine Bis-α,β-epoxides","Journal of Organic Chemistry","2011","76","","1155","1158","10.1021/jo102096d","","","0.71073","MoKα","","0.0994","0.0592","","","0.143","0.1663","","","","","","1.072","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026044","5.958","0.0002","9.2476","0.0003","14.1993","0.0005","91.391","0.002","97.183","0.002","107.512","0.002","738.64","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0297","0.0292","","","0.0833","0.0837","","","","","","1.336","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026045","9.684","0.002","12.086","0.003","13.299","0.003","81.86","0.006","82.501","0.005","74.533","0.004","1478","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 N4 O6 -","- C32 H36 N4 O6 -","- C64 H72 N8 O12 -","2","1","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","","","0.0683","0.0544","","","0.134","0.145","","","","","","1.032","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026046","7.1279","0.0004","8.8202","0.0005","13.1405","0.0008","102.542","0.003","92.659","0.003","95.43","0.003","800.9","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0285","0.0278","","","0.0773","0.0781","","","","","","1.139","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026047","9.6495","0.0016","12.915","0.002","13.39","0.002","102.007","0.003","103.616","0.004","92.047","0.004","1580","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","MoKα","","0.057","0.0402","","","0.1009","0.107","","","","","","1.053","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026048","6.036","0.0002","9.4615","0.0004","14.6013","0.0005","83.438","0.002","84.291","0.002","71.75","0.002","784.95","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0323","0.0317","","","0.0831","0.084","","","","","","1.029","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026049","5.5847","0.0009","7.8959","0.0012","17.784","0.003","84.99","0.004","85.314","0.004","83.194","0.004","773.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","1","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","MoKα","","0.0868","0.0655","","","0.181","0.1951","","","","","","1.127","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026050","8.8898","0.0004","12.061","0.0005","15.2167","0.0007","72.416","0.002","81.661","0.003","75.268","0.003","1500.05","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H17 F N2 O3 -","- C16 H17 F N2 O3 -","- C64 H68 F4 N8 O12 -","4","4","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0398","0.0356","","","0.089","0.0928","","","","","","1.034","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026051","13.397","0.005","9.956","0.003","12.273","0.004","90","","110.812","0.008","90","","1530.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F N2 O3 -","- C16 H17 F N2 O3 -","- C64 H68 F4 N8 O12 -","4","1","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","MoKα","","0.0831","0.0616","","","0.1601","0.1842","","","","","","1.041","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026052","8.0176","0.0003","9.6736","0.0004","10.1393","0.0004","106.763","0.0009","96.6662","0.001","111.509","0.001","678.47","0.05","103.1","","103.1","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 I2 N -","- C15 H9 I2 N -","- C30 H18 I4 N2 -","2","1","","Takenori Mitamura; Akiya Ogawa","Synthesis of 2,4-Diiodoquinolines via the Photochemical Cyclization of o-Alkynylaryl Isocyanides with Iodine","Journal of Organic Chemistry","2011","76","","1163","1166","10.1021/jo1021772","","","0.71075","MoKα","","","0.026","","","","0.0662","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026053","36.7158","0.0007","8.06317","0.00015","20.2857","0.0004","90","","92.587","0.0007","90","","5999.4","0.2","103.1","","103.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 I2 N O -","- C16 H11 I2 N O -","- C256 H176 I32 N16 O16 -","16","2","","Takenori Mitamura; Akiya Ogawa","Synthesis of 2,4-Diiodoquinolines via the Photochemical Cyclization of o-Alkynylaryl Isocyanides with Iodine","Journal of Organic Chemistry","2011","76","","1163","1166","10.1021/jo1021772","","","0.71075","MoKα","","","0.0271","","","","0.071","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026054","10.672","0.003","15.083","0.003","17.585","0.004","86.626","0.004","72.898","0.005","80.806","0.004","2670.5","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H58 B F2 I N2 O8 -","- C59 H58 B F2 I N2 O8 -","- C118 H116 B2 F4 I2 N4 O16 -","2","1","","Thomas Bura; Pascal Retailleau; Gilles Ulrich; Raymond Ziessel","Highly Substituted Bodipy Dyes with Spectroscopic Features Sensitive to the Environment","Journal of Organic Chemistry","2011","76","","1109","1117","10.1021/jo102203f","","","0.71069","MoKα","","0.0802","0.0517","","","0.1296","0.1492","","","","","","1.04","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026055","13.7524","0.0008","6.0384","0.0004","28.938","0.002","90","","96.02","0.005","90","","2389.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","08113","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C104 H136 N8 O16 -","4","2","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","1.54178","CuKα","","0.1411","0.0773","","","0.1797","0.2194","","","","","","1.02","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4026056","6.2724","0.0002","8.1395","0.0003","11.915","0.0005","99.035","0.003","95.226","0.003","96.713","0.003","592.92","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","MBB I-117","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","1","1","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","1.54178","CuKα","","0.0537","0.0465","","","0.1219","0.1274","","","","","","1.07","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4026057","9.983","0.002","10.796","0.002","20.198","0.004","90","","90","","90","","2176.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N O7 -","- C24 H26 N O7 -","- C96 H104 N4 O28 -","4","1","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","0.71073","MoKα","","0.1061","0.0827","","","0.1767","0.1874","","","","","","1.155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026058","5.121","0.002","12.152","0.006","12.407","0.006","93.69","0.02","94.64","0.02","96.93","0.02","761.8","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 F12 N2 O2 -","- C10 H14 F12 N2 O2 -","- C20 H28 F24 N4 O4 -","2","1","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.1191","0.0833","","","0.1896","0.2115","","","","","","1.075","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026059","6.9943","0.0009","16.75","0.002","9.4455","0.0013","90","","111.055","0.003","90","","1032.7","0.2","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F12 N2 O2 -","- C16 H22 F12 N2 O2 -","- C32 H44 F24 N4 O4 -","2","0.5","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.0889","0.0563","","","0.102","0.1123","","","","","","1.127","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026060","13.483","0.002","13.951","0.003","14.8923","0.001","62.113","0.019","73.42","0.02","73.39","0.02","2334.3","0.8","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F12 N2 O2 -","- C22 H22 F12 N2 O2 -","- C88 H88 F48 N8 O8 -","4","2","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.0934","0.0851","","","0.2387","0.2456","","","","","","1.151","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026061","8.7334","0.0012","18.096","0.002","14.6555","0.0019","90","","101.692","0.003","90","","2268.1","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 F12 N2 O2 -","- C18 H28 F12 N2 O2 -","- C72 H112 F48 N8 O8 -","4","1","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.0691","0.0552","","","0.1446","0.1571","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026062","16.239","0.012","18.236","0.014","18.655","0.014","90","","90","","90","","5524","7","111","2","111","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44.17 H76.45 N11 O14.15 -","- C44.156 H76.428 N11 O14.136 -","- C176.624 H305.712 N44 O56.544 -","4","1","","Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness","Stapling of a 310-Helix with Click Chemistry","Journal of Organic Chemistry","2011","76","","1228","1238","10.1021/jo101670a","","","0.71073","MoKα","","0.3574","0.0667","","","0.1094","0.1929","","","","","","0.911","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026063","36.417","0.012","13.382","0.005","11.873","0.004","90","","102.36","0.004","90","","5652","3","110","2","110","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C45.28 H80.47 N11 O13.5 -","- C45.26 H80.44 N11 O13.5 -","- C181.04 H321.76 N44 O54 -","4","1","","Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness","Stapling of a 310-Helix with Click Chemistry","Journal of Organic Chemistry","2011","76","","1228","1238","10.1021/jo101670a","","","0.71073","MoKα","","0.0489","0.0392","","","0.0998","0.1076","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026064","17.9076","0.0016","7.1357","0.0006","11.9889","0.0011","90","","90","","90","","1532","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","15b-Methyl-1H-benzo[e]indolo[1,2-a]pyrrolo[2,1-c][1,4]diazepine- -3,9(2H,15bH)-dione","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Yu Zhou; Jian Li; Xun Ji; Wei Zhou; Xu Zhang; Wangke Qian; Hualiang Jiang; Hong Liu","Silver- and Gold-Mediated Domino Transformation: A Strategy for Synthesizing Benzo[e]indolo[1,2-a]pyrrolo/pyrido[2,1-c][1,4]diazepine-3,9-diones","Journal of Organic Chemistry","2011","76","","1239","1249","10.1021/jo101727r","","","0.71073","MoKα","","0.0387","0.0349","","","0.0841","0.0861","","","","","","1.052","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026065","6.9155","0.0008","8.1679","0.0009","14.2734","0.0016","90","","99.078","0.002","90","","796.14","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C34 H40 O10 -","2","1","","Li-Fang Yu; Hai-Ning Hu; Fa-Jun Nan","Total Synthesis of Lathyranoic Acid A","Journal of Organic Chemistry","2011","76","","1448","1451","10.1021/jo102033h","","","0.71073","MoKα","","0.0555","0.0446","","","0.0987","0.1043","","","","","","1.037","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026066","6.6814","0.0014","15.308","0.003","11.355","0.002","90","","92.456","0.004","90","","1160.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 Br O6 -","- C24 H23 Br O6 -","- C48 H46 Br2 O12 -","2","1","","Li-Fang Yu; Hai-Ning Hu; Fa-Jun Nan","Total Synthesis of Lathyranoic Acid A","Journal of Organic Chemistry","2011","76","","1448","1451","10.1021/jo102033h","","","0.71073","MoKα","","0.1285","0.0668","","","0.1575","0.1803","","","","","","0.827","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026067","4.633","0.005","8.4","0.001","6.577","0.003","90","","100.37","0.06","90","","251.8","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","epoxide or oxirane","","","- C2 H4 O -","- C2 H4 O -","- C8 H16 O4 -","4","1","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.71068","MoKα","","0.0556","0.0261","","","","0.0221","0.0315","","","","","1.307","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026068","21.304","0.004","4.046","0.001","17.685","0.004","90","","107.05","0.03","90","","1457.4","0.6","20","","20","","","","","","","","","3","C 1 2 1","C 2y","5","methyloxycarbonyl epoxide","","","- C6 H8 O5 -","- C6 H8 O5 -","- C48 H64 O40 -","8","2","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.71068","MoKα","","0.0562","0.0341","","","","0.0359","0.0555","","","","","1.246","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026069","7.746","0.0003","8.08","0.0002","11.835","0.0005","86.198","0.001","74.105","0.001","60.673","0.001","619.07","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","acceptor-substituted oxirane","","","- C12 H11 N O7 -","- C12 H11 N O7 -","- C24 H22 N2 O14 -","2","1","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.56","synchrotron","","0.0573","0.0309","","","","0.0422","0.046","","","","","0.9537","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026070","9.586","0.0019","6.082","0.0012","11.994","0.002","90","","110.79","0.03","90","","653.7","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra-cyano epoxide","","","- C6 N4 O -","- C6 N4 O -","- C24 N16 O4 -","4","1","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.56","synchrotron","","0.0414","0.0187","","","","0.0287","0.0426","","","","","0.5523","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026071","6.6696","0.0001","7.6973","0.0002","12.7164","0.0003","88.744","0.001","81.722","0.001","65.235","0.001","586.08","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","none","endo-4,5-Benzo-7-cyano-3-oxatricyclo[6.2.2.0^2,7^] dodec-9-ene-6-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0569","0.0464","","","0.155","0.1722","","","","","","0.832","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026072","6.708","0.0001","7.8652","0.0001","12.7175","0.0002","89.491","0.001","81.199","0.001","66.46","","606.881","0.015","296","2","296","2","","","","","","","","4","P -1","-P 1","2","none","exo-4,5-benzo-7-cyano-3-oxatricyclo[6.2.2.0^2,7^]dodec-9-ene-6-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0519","0.0476","","","0.1506","0.1602","","","","","","0.695","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026073","7.0862","0.0001","21.9228","0.0004","8.0627","0.0001","90","","112.148","0.001","90","","1160.11","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","none","4-(cyclohex-2-enyl)-1,2-naphthoquinone","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0658","0.0509","","","0.1364","0.148","","","","","","1.034","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026074","8.0937","0.0001","7.2758","0.0001","19.9413","0.0003","90","","93.851","0.001","90","","1171.65","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","15-cyano-13-oxahexacyclo[6.4.4.0.0^2,7^.0^3,14^.0^6,15^] hexadec-9,11-diene-16-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0431","0.0339","","","0.1094","0.128","","","","","","0.757","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026075","14.9807","0.001","16.1595","0.0011","15.3173","0.001","90","","101.509","0.004","90","","3633.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","1R(S), 2S(R), 11S(R), 12R(S), 16R(S)- 16-benzoyl-9-cyano-3-oxaheptacyclo [10.2.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^17,18^] octadec-13-ene-10-one","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C200 H168 N8 O24 -","8","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0685","0.048","","","0.1229","0.1419","","","","","","1.028","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026076","9.6025","0.0002","17.6676","0.0004","20.1254","0.0004","90","","90","","90","","3414.34","0.13","104","2","104","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","none","1R(S), 2S(R), 11S(R), 12R(S), 16R(S)- 16-benzoyl-3-oxaheptacyclo [10.2.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^17,18^] octadec-13-ene-10-one","","- C24 H22 O3 -","- C24 H22 O3 -","- C192 H176 O24 -","8","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0511","0.0453","","","0.1237","0.1307","","","","","","1.055","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026077","8.9161","0.0002","10.5248","0.0002","19.5057","0.0004","90","","90","","90","","1830.42","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","none","9-cyano-15-phenyl-3,14-dioxanonacyclo [10.4.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^13,16^.0^15,18^.0^19,20^] icosa-10-one","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0409","0.0354","","","0.1003","0.1067","","","","","","0.746","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026078","6.4585","0.0001","9.7432","0.0002","14.0722","0.0003","90","","97.442","0.001","90","","878.05","0.03","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","none","15-phenyl-3,14-dioxanonacyclo [10.4.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^13,16^.0^15,18^.0^19,20^] icosa-10-one","","- C24 H22 O3 -","- C24 H22 O3 -","- C48 H44 O6 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0275","0.025","","","0.0657","0.0684","","","","","","0.881","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026079","22.99","0.0005","11.5589","0.0003","6.2791","0.0002","90","","90","","90","","1668.6","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","none","14-phenyl-3,13-dioxanonacyclo [9.4.2.1^2,5^.1^7,10^.0^2,10^.0^4,8^.0^12,15^.0^14,17^.0^18,19^] nonadec-9-one","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0472","0.0438","","","0.1243","0.1283","","","","","","0.956","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026080","9.8089","0.0001","13.5467","0.0002","14.3443","0.0002","90","","104.253","0.001","90","","1847.37","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 8S(R), 9R(S), 10S(R), 13R(S)- 16-cyano-17-oxo-11-phenyl-14-oxaoctacyclo [6.5.4.1^10,13^.0^1,8^.0^2,7^.0^9,11^.0^3,15^.0^6,16^] octadec-9-carboxaldehyde","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0543","0.0448","","","0.128","0.1505","","","","","","0.728","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026081","25.0613","0.0005","9.961","0.0002","14.47","0.0003","90","","105.296","0.001","90","","3484.27","0.12","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","none","1S(R), 8S(R), 9R(S), 10S(R), 13R(S)- 17-oxo-11-phenyl-14-oxaoctacyclo [6.5.4.1^10,13^.0^1,8^.0^2,7^.0^9,11^.0^3,15^.0^6,16^] octadec-9-carboxaldehyde","","- C24 H22 O3 -","- C24 H22 O3 -","- C192 H176 O24 -","8","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.049","0.0432","","","0.1177","0.1275","","","","","","1.012","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026082","8.8327","0.0017","36.546","0.008","6.7047","0.0013","90","","96.053","0.004","90","","2152.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 8S(R), 9R(S), 12R(S), 13R(S)- 15-cyano-13-dimethoxymethyl-11-phenyl-17-oxaheptacyclo [6.5.4.1^9,12^.0^1,8^.0^2,7^.0^3,15^.0^6,16^] octadec-10-ene-14-one","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0819","0.0489","","","0.1271","0.1492","","","","","","0.795","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026083","9.8224","0.0002","14.3488","0.0003","15.5494","0.0003","90","","106.005","0.001","90","","2106.58","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","1S(R), 8S(R), 9R(S), 12R(S), 13R(S)- 15-cyano-13-(1,3-dioxolan-2-yl)-11-phenyl-17-oxaheptacyclo [6.5.4.1^9,12^.0^1,8^.0^2,7^.0^3,15^.0^6,16^] octadec-10-ene-14-one","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0537","0.0451","","","0.1651","0.1926","","","","","","0.752","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026084","10.1847","0.0002","14.1437","0.0002","14.6416","0.0002","90.026","0.001","110.101","0.001","91.882","0.001","1979.42","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","1S(R), 8S(R), 9R(S), 12R(S), 13R(S)- 13-(1,3-dioxalan-2-yl)-11-phenyl-17-oxaheptacyclo [6.5.4.1^9,12^.0^1,8^.0^2,7^.0^3,15^.0^6,16^] octadec-10-ene-14-one","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0688","0.0546","","","0.2159","0.243","","","","","","1.025","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026085","9.6937","0.0001","10.0059","0.0001","11.7038","0.0001","107.168","0.001","94.725","0.001","95.837","0.001","1071.43","0.019","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","13-ethylene glycol monoacetal of 1S(R), 2R(S), 5R(S), 6R(S), 7S(R)- 6-(1,3-dioxolan-2-yl)-4-phenylheptacyclo [5.5.4.1^2,5^.0^1,7^.0^8,12^.0^9,15^.0^11,14^] heptadec-3-ene-16-one","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0507","0.0445","","","0.128","0.1357","","","","","","1.001","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026086","18.8598","0.0005","8.965","0.0002","13.2521","0.0003","90","","105.375","0.001","90","","2160.45","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 2R(S), 11S(R), 12R(S), 13S(R), 14S(R), 16S(R)- 9-cyano-12-dimethoxymethyl-14-phenyl-3,15-dioxaoctacyclo [11.3.1.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^14,16^.0^18,19^] nonadec-10-one","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C108 H108 N4 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0607","0.047","","","0.1286","0.138","","","","","","1.065","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026087","9.8233","0.0003","9.8589","0.0003","12.1276","0.0003","85.89","0.002","86.645","0.001","70.544","0.001","1103.85","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","photoepoxide","13-Ethylene glycol monoacetal of 1S(R),2S(R),3S(R),5S(R),6R(S),7S(R)-7- (1,3-dioxolan-2-yl)-5-phenyl-4-oxaoctacyclo[6.5.4.1^2,6^.0^1,8^.0^3,5^ .0^9,13^.0^10,16^.0^12,15^]octadecane-14,17-dione","","- C28 H28 O6 -","- C28 H28 O6 -","- C56 H56 O12 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0514","0.0403","","","0.1157","0.1403","","","","","","0.483","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026088","11.275","0.015","8.505","0.011","27.54","0.04","90","","92.525","0.014","90","","2638","6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 2R(S), 5R(S), 14R(S), 15S(R), 16S(R), 17R(S), 26R(S)- 7,24-dicyano-13,18-dioxatridecacyclo [14.10.2.1^5,8^.1^11,14^.1^17,20^.1^23,26^ .0^2,15^.0^5,14^.0^7,12^.0^17,26^.0^19,24^.0^29,30^.0^31,32^] dotriaconta-3,27-diene-6,25-dione","","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","- C128 H104 N8 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.134","0.1237","","","0.4063","0.429","","","","","","2.065","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026089","11.7534","0.0003","13.2715","0.0003","13.3406","0.0003","90","","105.693","0.001","90","","2003.37","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","1S(R), 2R(S), 5R(S), 14R(S), 15S(R), 16S(R), 17R(S), 26R(S)- 13,18-dioxatridecacyclo [14.10.2.1^8,11^.1^20,23^.0^2,15^.0^5,9^.0^5,14^.0^7,12^ .0^10,14^.0^17,21^.0^17,26^.0^19.24^.0^22,26^] triaconta-3,27-diene-6,25-dione","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0698","0.053","","","0.1477","0.165","","","","","","1.012","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026090","8.838","0.01","10.681","0.011","10.897","0.012","90","","90.135","0.012","90","","1028.7","1.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O4 S2 -","- C20 H21 N O4 S2 -","- C40 H42 N2 O8 S4 -","2","1","","Yong Zhang; Yong-Liang Shao; Hai-Sen Xu; Wei Wang","Organocatalytic Direct Asymmetric Vinylogous Michael Reaction of an α,β-Unsaturated γ-Butyrolactam with Enones","Journal of Organic Chemistry","2011","76","","1472","1474","10.1021/jo102223v","","","0.71073","MoKα","","0.0646","0.0477","","","0.1003","0.1093","","","","","","1.018","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026091","7.0842","0.001","9.0032","0.0013","9.5389","0.0006","95.64","0.008","97.798","0.009","110.869","0.013","556.12","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 Br2 O2 -","- C9 H14 Br2 O2 -","- C18 H28 Br4 O4 -","2","1","","Victoria L. Paddock; Robert J. Phipps; Almudena Conde-Angulo; Araceli Blanco-Martin; Carles Giró-Mañas; Laetitia J. Martin; Andrew J. P. White; Alan C. Spivey","(\±)-trans,cis-4-Hydroxy-5,6-di-O-isopropylidenecyclohex-2-ene-1-one: Synthesis and Facile Dimerization to Decahydrodibenzofurans","Journal of Organic Chemistry","2011","76","","1483","1486","10.1021/jo102314w","","","0.71073","MoKα","","0.0727","0.0315","","","0.0602","0.0635","","","","","","0.839","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026092","13.3473","0.001","14.7931","0.0014","17.9988","0.0019","90","","90","","90","","3553.8","0.6","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H24 O8 -","- C18 H24 O8 -","- C144 H192 O64 -","8","2","","Victoria L. Paddock; Robert J. Phipps; Almudena Conde-Angulo; Araceli Blanco-Martin; Carles Giró-Mañas; Laetitia J. Martin; Andrew J. P. White; Alan C. Spivey","(\±)-trans,cis-4-Hydroxy-5,6-di-O-isopropylidenecyclohex-2-ene-1-one: Synthesis and Facile Dimerization to Decahydrodibenzofurans","Journal of Organic Chemistry","2011","76","","1483","1486","10.1021/jo102314w","","","1.54248","CuKα","","0.0501","0.0478","","","0.1204","0.1224","","","","","","1.024","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026093","8.6361","0.0012","9.5345","0.0013","47.638","0.006","90","","90","","90","","3922.6","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","compound 3b","1-(9H-fluoren-9-ylidene)-1-(2-isopropylphenyl)propan-2-ol","","- C25 H24 O -","- C25 H24 O -","- C200 H192 O8 -","8","2","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure, Conformation, Stereodynamics, and Absolute Configuration of the Atropisomers of Fluorenylidene Derivatives","Journal of Organic Chemistry","2011","76","","1487","1490","10.1021/jo1023427","","","0.71073","MoKα","","0.0503","0.0406","","","0.0858","0.0904","","","","","","1.075","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026094","10.5615","0.0012","8.3727","0.0009","11.8537","0.0012","90","","108.972","0.002","90","","991.26","0.19","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C44 H52 O12 -","2","1","","Kai Ding; Yun-shan Sun; Wei-Sheng Tian","Total Synthesis of (\±)-Spiniferin-1 via a Polyfluoroalkanosulfonyl Fluoride Induced Homoallylic Carbocation Rearrangement Reaction","Journal of Organic Chemistry","2011","76","","1495","1498","10.1021/jo102351k","","","0.71073","MoKα","","0.079","0.0399","","","0.0516","0.0581","","","","","","0.764","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026095","17.0976","0.0017","11.4592","0.0009","21.096","0.002","90","","113.539","0.002","90","","3789.3","0.6","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 N O6 -","- C48 H45 N O6 -","- C192 H180 N4 O24 -","4","1","","Najat S. Khan; Jose Manuel Perez-Aguilar; Tara Kaufmann; P. Aru Hill; Olena Taratula; One-Sun Lee; Patrick J. Carroll; Jeffery G. Saven; Ivan J. Dmochowski","Multiple Hindered Rotators in a Gyroscope-Inspired Tribenzylamine Hemicryptophane","Journal of Organic Chemistry","2011","76","","1418","1424","10.1021/jo102480s","","","0.71073","MoKα","","0.0599","0.0479","","","0.1107","0.1204","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026096","9.382","0.0019","12.916","0.003","13.29","0.003","89.09","0.03","88.04","0.02","86.02","0.03","1605.5","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","pentathiodiphosphoric acid-P,P-bis(pyridiniumbetain)","","- C10 H10 N2 P2 S5 -","- C10 H10 N2 P2 S5 -","- C40 H40 N8 P8 S20 -","4","2","","Jan Bergman; Birgitta Pettersson; Vedran Hasimbegovic; Per H. Svensson","Thionations Using a P4S10-Pyridine Complex in Solvents Such as Acetonitrile and Dimethyl Sulfone","Journal of Organic Chemistry","2011","76","","1546","1553","10.1021/jo101865y","","","0.71073","MoKα","","0.1182","0.0572","","","0.1125","0.1299","","","","","","0.971","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026097","7.9234","0.0004","11.0214","0.0005","9.0941","0.0003","90","","95.514","0.002","90","","790.49","0.06","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pyridinium dihydrogenmonothiophosphate","","- C5 H8 N O3 P S -","- C5 H8 N O3 P S -","- C20 H32 N4 O12 P4 S4 -","4","1","","Jan Bergman; Birgitta Pettersson; Vedran Hasimbegovic; Per H. Svensson","Thionations Using a P4S10-Pyridine Complex in Solvents Such as Acetonitrile and Dimethyl Sulfone","Journal of Organic Chemistry","2011","76","","1546","1553","10.1021/jo101865y","","","0.71073","MoKα","","0.0236","0.0221","","","0.06","0.0612","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026098","10.428","0.005","8.062","0.004","29.581","0.008","90","","96.108","0.008","90","","2472.8","1.8","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H27 N3 Ni O3 S -","- C28 H27 N3 Ni O3 S -","- C112 H108 N12 Ni4 O12 S4 -","4","2","","Daniel J. Smith; Glenn P. A. Yap; James A. Kelley; Joel P. Schneider","Enhanced Stereoselectivity of a Cu(II) Complex Chiral Auxiliary in the Synthesis of Fmoc-l-γ-carboxyglutamic Acid","Journal of Organic Chemistry","2011","76","","1513","1520","10.1021/jo101940k","","","0.71073","MoKα","","0.1123","0.0674","","","0.1302","0.1488","","","","","","1.05","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026099","18.8594","0.0017","10.0842","0.0009","19.9788","0.0018","90","","93.459","0.002","90","","3792.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H13 N O -","- C75 H13 N O -","- C300 H52 N4 O4 -","4","1","","Shih-Ching Chuang; Venkatachalam Rajeshkumar; Chun-An Cheng; Jie-Cheng Deng; Guan-Wu Wang","Annulation of Benzamides with [60]Fullerene through Palladium(II)-Catalyzed C-H Bond Activation","Journal of Organic Chemistry","2011","76","","1599","1604","10.1021/jo102107k","","","0.71073","MoKα","","0.0756","0.0514","","","0.1247","0.1378","","","","","","1.025","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026100","13.21","0.03","9.45","0.02","14.77","0.03","90","","112.64","0.03","90","","1702","6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Sandra Jiménez-Alonso; Judith Guasch; Ana Estévez-Braun; Imma Ratera; Jaume Veciana; Angel G. Ravelo","Electronic and Cytotoxic Properties of 2-Amino-naphtho[2,3-b]furan-4,9-diones","Journal of Organic Chemistry","2011","76","","1634","1643","10.1021/jo102233j","","","0.71073","MoKα","","0.1689","0.0685","","","0.1874","0.2208","","","","","","0.819","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026101","9.7844","0.0002","10.1122","0.0003","17.8873","0.0004","90","","90","","90","","1769.8","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0437","0.0375","","","0.1063","0.1089","","","","","","1.128","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026102","6.8347","0.0002","17.1728","0.0005","17.4137","0.0005","90","","90","","90","","2043.86","0.1","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C96 H108 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.053","0.0408","","","0.1089","0.1145","","","","","","0.994","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026103","12.8706","0.0003","10.3285","0.0002","19.3024","0.0005","90","","94.196","0.002","90","","2559.07","0.1","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C108 H136 N8 O16 -","4","2","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.1089","0.0607","","","0.1411","0.1591","","","","","","0.992","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026104","8.0663","0.0001","10.2743","0.0001","20.2326","0.0002","90","","90","","90","","1676.79","0.03","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C68 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0424","0.0396","","","0.1116","0.1138","","","","","","1.051","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026105","10.0543","0.0002","11.701","0.0002","13.951","0.0002","90","","90","","90","","1641.27","0.05","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0471","0.0419","","","0.114","0.1171","","","","","","1.015","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026106","7.6999","0.0001","9.8411","0.0002","20.3544","0.0004","90","","90","","90","","1542.36","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0409","0.0406","","","0.1125","0.1128","","","","","","1.053","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026107","6.2191","0.0008","11.1721","0.0014","17.86","0.002","90","","90","","90","","1240.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Jeannette M. O'Brien; Jason S. Kingsbury","A Practical Synthesis of 3-Acyl Cyclobutanones by [2 + 2] Annulation. Mechanism and Utility of the Zn(II)-Catalyzed Condensation of α-Chloroenamines with Electron-Deficient Alkenes","Journal of Organic Chemistry","2011","76","","1662","1672","10.1021/jo102257k","","","0.71073","MoKα","","0.0485","0.0371","","","0.0769","0.0817","","","","","","1.032","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026108","22.917","0.007","5.6502","0.0018","11.64","0.004","90","","100.65","0.004","90","","1481.3","0.8","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 O3 -","- C7 H10 O3 -","- C56 H80 O24 -","8","1","","Jeannette M. O'Brien; Jason S. Kingsbury","A Practical Synthesis of 3-Acyl Cyclobutanones by [2 + 2] Annulation. Mechanism and Utility of the Zn(II)-Catalyzed Condensation of α-Chloroenamines with Electron-Deficient Alkenes","Journal of Organic Chemistry","2011","76","","1662","1672","10.1021/jo102257k","","","0.71073","MoKα","","0.0594","0.0432","","","0.106","0.1172","","","","","","1.058","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026109","17.122","0.003","23.551","0.005","19.674","0.004","90","","92.05","0.03","90","","7928","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H156 F48 N10 O22 P8 -","- C152 H156 F48 N10 O22 P8 -","- C304 H312 F96 N20 O44 P16 -","2","0.5","","Jing Cao; Jia-Bin Guo; Peng-Fei Li; Chuan-Feng Chen","Complexation between Pentiptycene Derived Bis(crown ether)s and CBPQT4+ Salt: Ion-Controlled Switchable Processes and Changeable Role of the CBPQT4+ in Host-Guest Systems","Journal of Organic Chemistry","2011","76","","1644","1652","10.1021/jo102288r","","","0.71073","MoKα","","0.1613","0.1524","","","0.3864","0.3938","","","","","","1.217","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026110","17.42","0.0003","11.1931","0.0002","19.4979","0.0005","90","","113.113","0.001","90","","3496.62","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H41 N O6 Si -","- C39 H41 N O6 Si -","- C156 H164 N4 O24 Si4 -","4","1","","Baudouin Gerard; Jean-Charles Marié; Bhaumik A. Pandya; Maurice D. Lee IV; Haibo Liu; Lisa A. Marcaurelle","Large-Scale Synthesis of All Stereoisomers of a 2,3-Unsaturated C-Glycoside Scaffold","Journal of Organic Chemistry","2011","76","","1898","1901","10.1021/jo1022926","","","1.54178","CuKα","","0.0308","0.0305","","","0.081","0.0813","","","","","","1.024","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026111","18.2912","0.0004","10.635","0.0002","15.6481","0.0003","90","","92.608","0.001","90","","3040.82","0.11","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H35 N O6 Si -","- C33 H35 N O6 Si -","- C132 H140 N4 O24 Si4 -","4","1","","Baudouin Gerard; Jean-Charles Marié; Bhaumik A. Pandya; Maurice D. Lee IV; Haibo Liu; Lisa A. Marcaurelle","Large-Scale Synthesis of All Stereoisomers of a 2,3-Unsaturated C-Glycoside Scaffold","Journal of Organic Chemistry","2011","76","","1898","1901","10.1021/jo1022926","","","1.54178","CuKα","","0.0246","0.0246","","","0.0653","0.0654","","","","","","1.052","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026112","14.803","0.0005","8.9842","0.0003","13.004","0.0004","90","","99.476","0.003","90","","1705.84","0.1","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 F3 N O3 S Se -","- C15 H16 F3 N O3 S Se -","- C60 H64 F12 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","1.54184","CuKα","","0.0481","0.0436","","","0.1218","0.1244","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026113","6.5091","0.0016","33.521","0.008","8.747","0.002","90","","93.464","0.004","90","","1905","0.8","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O3 S Se -","- C18 H25 N O3 S Se -","- C72 H100 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.0495","0.0407","","","0.0978","0.1023","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026114","10.369","0.003","11.734","0.003","13.532","0.004","90","","105.156","0.004","90","","1589.2","0.8","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F3 N O3 S Se -","- C14 H14 F3 N O3 S Se -","- C56 H56 F12 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.0257","0.0238","","","0.0676","0.0686","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026115","17.416","0.0003","9.5355","0.0002","11.4018","0.0002","90","","90.467","0.002","90","","1893.44","0.06","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O3 S Se -","- C18 H25 N O3 S Se -","- C72 H100 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","1.54184","CuKα","","0.0551","0.04","","","0.092","0.0964","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026116","7.449","0.003","13.527","0.004","19.221","0.006","90","","99.285","0.005","90","","1911.4","1.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O7 Se -","- C18 H14 N4 O7 Se -","- C72 H56 N16 O28 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.1128","0.0585","","","0.107","0.119","","","","","","0.866","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026117","8.2176","0.0005","9.735","0.0006","12.3328","0.0008","82.277","0.001","83.488","0.001","72.756","0.001","930.88","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N4 O7 Se -","- C18 H14 N4 O7 Se -","- C36 H28 N8 O14 Se2 -","2","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.0268","0.0253","","","0.0631","0.0637","","","","","","1.03","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026118","11.6919","0.0002","8.2865","0.0002","20.4393","0.0004","90","","97.802","0.002","90","","1961.93","0.07","130","2","130","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C19 H16 N4 O7 Se -","- C19 H16 N4 O7 Se -","- C76 H64 N16 O28 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","1.54184","CuKα","","0.0311","0.0297","","","0.0813","0.0825","","","","","","1.008","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026119","16.8059","0.0004","12.0718","0.0002","21.4038","0.0005","90","","127.012","0.003","90","","3467.41","0.19","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl4 O9 S3 -","- C29 H34 Cl4 O9 S3 -","- C116 H136 Cl16 O36 S12 -","4","1","","Julien Sanseverino; Jean-Claude Chambron; Emmanuel Aubert; Enrique Espinosa","Sulfur-Incorporating Cyclotriveratrylene Analogues: The Synthesis of Cyclotrithioguaiacylene","Journal of Organic Chemistry","2011","76","","1914","1917","10.1021/jo102324u","","","1.5418","CuKα","","0.0546","0.0426","","","0.1102","0.1147","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026120","16.081","0.004","25.463","0.007","17.392","0.003","90","","105.22","0.02","90","","6872","3","150","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H37 Cl1.5 N O4 -","- C73 H74 Cl3 N2 O8 -","- C292 H296 Cl12 N8 O32 -","4","1","","Anilkumar Bandela; Jugun Prakash Chinta; Vijaya Kumar Hinge; Amol G. Dikundwar; Tayur N. Guru Row; Chebrolu P. Rao","Recognition of Polycyclic Aromatic Hydrocarbons and Their Derivatives by the 1,3-Dinaphthalimide Conjugate of Calix[4]arene: Emission, Absorption, Crystal Structures, and Computational Studies","Journal of Organic Chemistry","2011","76","","1742","1750","10.1021/jo1023409","","","0.71073","MoKα","","0.3142","0.1495","","","0.3077","0.3992","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026121","15.5468","0.0006","20.2073","0.0009","24.3136","0.0012","102.014","0.004","90.127","0.004","96.242","0.003","7424.3","0.6","293","1","293","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C177 H172 N4 O19 -","- C177 H172 N4 O19 -","- C354 H344 N8 O38 -","2","1","","Anilkumar Bandela; Jugun Prakash Chinta; Vijaya Kumar Hinge; Amol G. Dikundwar; Tayur N. Guru Row; Chebrolu P. Rao","Recognition of Polycyclic Aromatic Hydrocarbons and Their Derivatives by the 1,3-Dinaphthalimide Conjugate of Calix[4]arene: Emission, Absorption, Crystal Structures, and Computational Studies","Journal of Organic Chemistry","2011","76","","1742","1750","10.1021/jo1023409","","x-ray","0.71073","MoKα","","0.352","0.1118","","","0.2667","0.325","","","","","","0.877","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026122","12.0065","0.0012","17.58","0.0018","20.214","0.002","90","","90","","90","","4266.7","0.7","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H24 Br2 O6 -","- C70 H24 Br2 O6 -","- C280 H96 Br8 O24 -","4","1","","Jianxin Zhang; Nana Xin; Liangbing Gan","Bromination-Mediated Regioselective Preparation of Cyclopentadienyl-Type [60]Fullerene Derivatives with Alkoxy, Peroxy, and Bromo or Hydro Addends","Journal of Organic Chemistry","2011","76","","1735","1741","10.1021/jo102377r","","","0.71075","MoKα","","0.0329","0.0286","","","0.0602","0.0612","","","","","","0.997","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026123","10.272","","34.671","","8.925","","90","","96.19","","90","","3160.02","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 F12 N2 O2 P2 -","- C26 H40 F12 N2 O2 P2 -","- C104 H160 F48 N8 O8 P8 -","4","1","","Manjula B. Koralegedara; Hong W. Aw; Dennis H. Burns","Initial Structural Studies of Charged Receptors That Bind to Inorganic Phosphate Anion and to an Anionic Phospholipid Found in Bacterial Membranes","Journal of Organic Chemistry","2011","76","","1930","1933","10.1021/jo102383j","","","0.71073","MoKα","","0.2854","0.0705","","","0.1391","0.2195","","","","","","0.941","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026124","30.78","0.003","12.9394","0.0013","23.09","0.004","90","","130.712","0.005","90","","6970.7","1.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H42 Cl3 N2 O10 P2 S -","- C26 H43 Cl3 N2 O10 P2 -","- C208 H344 Cl24 N16 O80 P16 -","8","1","","Manjula B. Koralegedara; Hong W. Aw; Dennis H. Burns","Initial Structural Studies of Charged Receptors That Bind to Inorganic Phosphate Anion and to an Anionic Phospholipid Found in Bacterial Membranes","Journal of Organic Chemistry","2011","76","","1930","1933","10.1021/jo102383j","","","0.71073","MoKα","","0.1557","0.0828","","","0.1878","0.2482","","","","","","1.128","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026125","7.0755","0.0009","27.67","0.003","10.6387","0.0011","90","","101.765","0.011","90","","2039.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Lehao Huang; Tianmin Niu; Jun Wu; Yuhong Zhang","Copper-Catalyzed Oxidative Cross-Coupling of N,N-Dimethylanilines with Heteroarenes under Molecular Oxygen","Journal of Organic Chemistry","2011","76","","1759","1766","10.1021/jo1023975","","","0.71073","MoKα","","0.1184","0.0549","","","0.164","0.2156","","","","","","0.659","","","","has coordinates","276386","2022-06-29","09:09:37",""
"4026126","14.6662","0.0004","10.1239","0.0003","19.1996","0.0005","90","","92.428","0.002","90","","2848.18","0.14","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-6-(2-Methoxynaphthalen-1-yl)-4,7-dimethyl-2-(toluene-4- sulfonyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid isopropyl ester","","- C32 H33 N O5 S -","- C32 H33 N O5 S -","- C128 H132 N4 O20 S4 -","4","1","","Shuichiro Ogaki; Yu Shibata; Keiichi Noguchi; Ken Tanaka","Enantioselective Synthesis of Axially Chiral Hydroxy Carboxylic Acid Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition","Journal of Organic Chemistry","2011","76","","1926","1929","10.1021/jo1024255","","","1.54187","CuKα","","0.0754","0.0537","","","0.1246","0.1443","","","","","","1.09","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026127","13.2578","0.0002","11.0728","0.0002","14.014","0.0003","90","","105.019","0.001","90","","1986.99","0.06","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S,R)-(-)-4,6-Bis(2-methoxynaphthalen-1-yl)-7-methyl-2- (toluene-4-sulfonyl)-2,3-dihydro-1H-isoindole-5- carboxylic acid isopropyl ester","","- C43 H40 Cl3 N O6 S -","- C43 H40 Cl3 N O6 S -","- C86 H80 Cl6 N2 O12 S2 -","2","1","","Shuichiro Ogaki; Yu Shibata; Keiichi Noguchi; Ken Tanaka","Enantioselective Synthesis of Axially Chiral Hydroxy Carboxylic Acid Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition","Journal of Organic Chemistry","2011","76","","1926","1929","10.1021/jo1024255","","","1.54187","CuKα","","0.0605","0.0397","","","0.0889","0.1123","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026128","12.513","0.0003","12.6052","0.0003","19.5281","0.0005","90","","90","","90","","3080.15","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Shu-Chun Zhao; Xing-Zhong Shu; Ke-Gong Ji; An-Xi Zhou; Ting He; Xue-Yuan Liu; Yong-Min Liang","Pd(0)-Catalyzed [1,5]-Sigmatropic Hydrogen Shift of Propargylic Esters toward Substituent Naphthylamines","Journal of Organic Chemistry","2011","76","","1941","1944","10.1021/jo1024267","","","0.71073","MoKα","","0.0673","0.039","","","0.0892","0.1031","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026129","7.0876","0.0004","16.0787","0.0009","21.6431","0.0012","90","","90","","90","","2466.4","0.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 B2 O3 P2 -","- C22 H36 B2 O3 P2 -","- C88 H144 B8 O12 P8 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.1212","0.0662","","","0.1563","0.2329","","","","","","1.206","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026130","10.0669","0.0014","25.664","0.004","10.9208","0.0013","90","","111.079","0.006","90","","2632.7","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 B2 O4 P2 -","- C24 H40 B2 O4 P2 -","- C96 H160 B8 O16 P8 -","4","2","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0899","0.0519","","","0.1094","0.1276","","","","","","0.67","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026131","9.2921","0.0016","14.879","0.002","18.8246","0.0018","90","","90","","90","","2602.6","0.6","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cl2 O4 P2 Pd -","- C24 H34 Cl2 O4 P2 Pd -","- C96 H136 Cl8 O16 P8 Pd4 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0308","0.0278","","","0.0826","0.0905","","","","","","0.748","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026132","10.9964","0.0004","13.7798","0.0005","22.3755","0.0009","90","","90","","90","","3390.5","0.2","108","2","108","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 Cl5 O5 P2 Pd -","- C27 H39 Cl5 O5 P2 Pd -","- C108 H156 Cl20 O20 P8 Pd4 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0363","0.0282","","","0.055","0.0842","","","","","","1.226","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026133","6.9899","0.0002","22.4792","0.0007","6.8185","0.0003","90","","90","","90","","1071.37","0.07","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C40 H60 N4 O8 S4 -","4","1","","Donn G. Wishka; Marion Bédard; Katherine E. Brighty; Richard A. Buzon; Kathleen A. Farley; Michael W. Fichtner; Goss S. Kauffman; Jaap Kooistra; Jason G. Lewis; Hardwin O'Dowd; Ivan J. Samardjiev; Brian Samas; Geeta Yalamanchi; Mark C. Noe","An Asymmetric Synthesis of (2S,5S)-5-Substituted Azepane-2-Carboxylate Derivatives","Journal of Organic Chemistry","2011","76","","1937","1940","10.1021/jo102475s","","","1.54178","CuKα","","0.0789","0.0778","","","0.1612","0.1631","","","","","","1.175","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026134","12.2358","0.0013","22.538","0.002","18.847","0.0019","90","","95.309","0.006","90","","5175.1","0.9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H38 Cl3 N9 O7 -","- C61 H38 Cl3 N9 O7 -","- C244 H152 Cl12 N36 O28 -","4","1","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","0.7107","MoKα","","0.157","0.1143","","","0.3147","0.3691","","","","","","1.158","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026135","18.845","0.005","13.192","0.003","19.392","0.005","90","","117.468","0.003","90","","4277.4","1.9","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C69 H60 N12 O6 -","- C69 H60 N12 O6 -","- C138 H120 N24 O12 -","2","0.5","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","0.71073","MoKα","","0.0817","0.0644","","","0.1842","0.194","","","","","","1.058","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026136","17.586","0.004","18.328","0.004","19.381","0.004","90","","91.08","0.03","90","","6246","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H63 N9 O10 -","- C72 H63 N9 O10 -","- C288 H252 N36 O40 -","4","1","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","0.71073","MoKα","","0.1039","0.09","","","0.186","0.1941","","","","","","1.176","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026137","23.832","0.003","23.832","0.003","21.741","0.004","90","","90","","120","","10694","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C75 H69 N15 O6 -","- C75 H69 N15 O6 -","- C450 H414 N90 O36 -","6","0.333333","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","1.54178","CuKα","","0.2743","0.1432","","","0.3333","0.3672","","","","","","1.498","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026138","5.4777","0.0004","12.6442","0.001","15.1084","0.0013","83.967","0.005","86.968","0.006","86.5","0.005","1037.55","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B N3 O4 -","- C24 H24 B N3 O4 -","- C48 H48 B2 N6 O8 -","2","1","","Ana López-Pérez; Marwin Segler; Javier Adrio; Juan C. Carretero","Silver-Catalyzed 1,3-Dipolar Cycloaddition of Azomethine Ylides with β-Boryl Acrylates","Journal of Organic Chemistry","2011","76","","1945","1948","10.1021/jo1024915","","","1.54178","CuKα","","0.1112","0.0953","","","0.278","0.2907","","","","","","1.066","","","","has coordinates,has Fobs","178440","2020-10-21","18:00:00",""
"4026139","6.028","0.005","16.365","0.005","18.57","0.005","90","0.005","90","0.005","90","0.005","1831.9","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17.5 N0 O3.5 S1.75 -","- C20 H23 N O2 S -","- C80 H92 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.0718","0.0453","","","0.1094","0.1237","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026140","6.037","0.005","16.367","0.005","18.598","0.005","90","0.005","90","0.005","90","0.005","1837.6","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17.5 N0 O3.5 S1.75 -","- C20 H24 N O2 S -","- C80 H96 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.0757","0.0497","","","0.1256","0.142","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026141","8.0114","0.0012","12.5034","0.0014","18.835","0.002","90","","90","","90","","1886.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.3301","0.0926","","","0.1405","0.207","","","","","","0.933","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4026142","7.186","0.0007","14.0335","0.0015","13.235","0.0014","90","","94.498","0.002","90","","1330.6","0.2","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 -","- C36 H32 N4 -","- C72 H64 N8 -","2","1","","Xiao Liu; Yudao Ma; Wenzeng Duan; Fuyan He; Lei Zhao; Chun Song","Synthesis of Cyclophanes with Planar and Helical Chirality","Journal of Organic Chemistry","2011","76","","1953","1956","10.1021/jo102538y","","","0.71073","MoKα","","0.0704","0.0491","","","0.0964","0.1093","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026143","5.1389","0.0003","54.219","0.004","18.2513","0.0013","90","","97.964","0.004","90","","5036.2","0.6","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C256 H192 O64 -","16","4","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.7107","MoKα","","0.1141","0.0721","","","0.1488","0.1681","","","","","","1.084","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026144","9.43","0.0008","9.63","0.001","11.129","0.0012","90.248","0.008","106.933","0.01","112.963","0.012","882.19","0.19","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C42 H40 O10 -","2","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.076","0.0611","","","0.1354","0.141","","","","","","1.038","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026145","12.4406","0.0013","12.7749","0.0014","15.6575","0.0016","94.061","0.002","95.186","0.002","102.32","0.002","2410.7","0.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","2","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71073","MoKα","","0.0746","0.0548","","","0.1499","0.1614","","","","","","1.04","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026146","7.0764","0.0008","19.5907","0.0003","8.9411","0.001","90","","94.353","0.002","90","","1235.9","0.2","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.7107","MoKα","","0.0463","0.0399","","","0.0964","0.1009","","","","","","1.092","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026147","24.27","0.002","7.822","0.0007","17.052","0.0016","90","","105.789","0.008","90","","3115","0.5","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C144 H128 O48 -","8","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0684","0.0527","","","0.1331","0.1434","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026148","21.998","0.002","7.5957","0.0008","25.811","0.003","90","","112.804","0.003","90","","3975.7","0.7","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C168 H144 Br16 O40 -","8","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0328","0.024","","","0.0566","0.0588","","","","","","0.971","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026149","11.778","0.0016","13.054","0.002","14.844","0.003","97.661","0.004","113.083","0.003","103.412","0.008","1977.1","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C84 H72 Br8 O20 -","4","2","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0638","0.0408","","","0.1005","0.1109","","","","","","0.989","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026150","9.843","0.001","23.98","0.03","10.686","0.0012","90","","94.28","0.007","90","","2515","3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C84 H72 Br8 O20 -","4","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0455","0.0361","","","0.0793","0.0827","","","","","","1.003","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026151","7.0684","0.0002","8.4206","0.0002","14.9569","0.0005","90","","90","","90","","890.24","0.04","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 F N O6 -","- C6 H12 F N O6 -","- C24 H48 F4 N4 O24 -","4","1","","Shane M. Wilkinson; Morgan A. Watson; Anthony C. Willis; Malcolm D. McLeod","Experimental and Kinetic Studies of the Escherichia coli Glucuronylsynthase: An Engineered Enzyme for the Synthesis of Glucuronide Conjugates","Journal of Organic Chemistry","2011","76","","1992","2000","10.1021/jo101914s","","","0.71073","MoKα","","0.0283","0.0256","","0.0728","0.072","0.0728","","","","","","0.9887","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026152","7.8722","0.0003","9.2049","0.0003","41.2201","0.0015","90","","90","","90","","2986.92","0.19","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N Na2 O11 -","- C28 H41 N Na2 O11 -","- C112 H164 N4 Na8 O44 -","4","1","","Shane M. Wilkinson; Morgan A. Watson; Anthony C. Willis; Malcolm D. McLeod","Experimental and Kinetic Studies of the Escherichia coli Glucuronylsynthase: An Engineered Enzyme for the Synthesis of Glucuronide Conjugates","Journal of Organic Chemistry","2011","76","","1992","2000","10.1021/jo101914s","","","0.71073","MoKα","","0.0588","0.0368","","0.0921","0.0868","0.0921","","","","","","0.8203","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026153","12.7109","0.0007","17.8216","0.001","19.5965","0.0011","90","","90","","90","","4439.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(R)-5-(N-tert-Butoxycarbonyl)-[(S)-(2-methoxyphenylamino)- (phenyl)methyl]-1H-pirrol-2(5H)one","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C184 H208 N16 O32 -","8","1","","Claudio Curti; Lucia Battistini; Beatrice Ranieri; Giorgio Pelosi; Gloria Rassu; Giovanni Casiraghi; Franca Zanardi","anti-Selective, Catalytic Asymmetric Vinylogous Mukaiyama Mannich Reactions of Pyrrole-Based Silyl Dienolates with N-Aryl Aldimines","Journal of Organic Chemistry","2011","76","","2248","2252","10.1021/jo1021234","","","0.71073","MoKα","","0.1137","0.051","","","0.1518","0.1872","","","","","","0.822","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026154","7.74851","0.00016","26.2071","0.0006","8.18444","0.00017","90","","93.43","0.0014","90","","1659","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","2","","Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase","Synthesis of (-)-Homogalanthamine from Naltrexone","Journal of Organic Chemistry","2011","76","","2257","2260","10.1021/jo1022487","","","1.54187","CuKα","","","0.0319","","","","0.0858","","","","","","1.027","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026155","8.94134","0.00017","9.9466","0.0002","16.0925","0.0004","90","","90","","90","","1431.2","0.05","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase","Synthesis of (-)-Homogalanthamine from Naltrexone","Journal of Organic Chemistry","2011","76","","2257","2260","10.1021/jo1022487","","","1.54187","CuKα","","","0.0321","","","","0.0942","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026156","10.969","0.007","8.042","0.008","19.434","0.012","90","","95.39","0.01","90","","1707","2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H48 O9 -","- C36 H48 O9 -","- C72 H96 O18 -","2","1","","Gang Ni; Zhu-Fang Shen; Yang Lu; Ying-Hong Wang; Yan-Bo Tang; Ruo-Yun Chen; Zhi-You Hao; De-Quan Yu","Glucokinase-Activating Sesquinlignans from the Rhizomes of Acorus tatarinowii Schott","Journal of Organic Chemistry","2011","76","","2056","2061","10.1021/jo1022712","","","1.54178","CuKα","","0.0565","0.0556","","","0.1565","0.1588","","","","","","1.048","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026157","8.792","0.001","15.306","0.001","24.545","0.002","90","","96.91","0.04","90","","3279","0.6","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 O9 -","- C35 H46 O9 -","- C140 H184 O36 -","4","1","","Gang Ni; Zhu-Fang Shen; Yang Lu; Ying-Hong Wang; Yan-Bo Tang; Ruo-Yun Chen; Zhi-You Hao; De-Quan Yu","Glucokinase-Activating Sesquinlignans from the Rhizomes of Acorus tatarinowii Schott","Journal of Organic Chemistry","2011","76","","2056","2061","10.1021/jo1022712","","","1.54178","CuKα","","0.122","0.0938","","","0.1354","0.149","","","","","","1.026","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026158","9.991","0.0008","15.5697","0.0013","22.565","0.002","90","","90","","90","","3510.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O4 -","- C17 H18 F3 N O4 -","- C136 H144 F24 N8 O32 -","8","2","","Lele Wen; Qilong Shen; Xiaolong Wan; Long Lu","Enantioselective Friedel-Crafts Alkylation of Indoles with Trifluoroethylidene Malonates by Copper-Bis(oxazoline) Complexes: Construction of Trifluoromethyl-Substituted Stereogenic Tertiary Carbon Center","Journal of Organic Chemistry","2011","76","","2282","2285","10.1021/jo1024333","","","0.71073","MoKα","","0.069","0.051","","","0.1268","0.136","","","","","","0.982","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026159","10.7183","0.0014","8.8432","0.0012","12.4477","0.0017","90","","103.81","0.002","90","","1145.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H21 F3 N2 O2 S -","- C25 H21 F3 N2 O2 S -","- C50 H42 F6 N4 O4 S2 -","2","1","","Lele Wen; Qilong Shen; Xiaolong Wan; Long Lu","Enantioselective Friedel-Crafts Alkylation of Indoles with Trifluoroethylidene Malonates by Copper-Bis(oxazoline) Complexes: Construction of Trifluoromethyl-Substituted Stereogenic Tertiary Carbon Center","Journal of Organic Chemistry","2011","76","","2282","2285","10.1021/jo1024333","","","0.71073","MoKα","","0.066","0.0426","","","0.069","0.0744","","","","","","0.811","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026160","9.1596","0.0017","25.648","0.005","10.427","0.002","90","","111.923","0.003","90","","2272.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O7 S2 -","- C22 H23 N O7 S2 -","- C88 H92 N4 O28 S8 -","4","1","","Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb","Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems","Journal of Organic Chemistry","2011","76","","2094","2101","10.1021/jo1024392","","","0.71073","MoKα","","0.0608","0.046","","","0.1211","0.1318","","","","","","1.022","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026161","11.0349","0.0017","10.4165","0.0016","16.485","0.003","90","","104.065","0.002","90","","1838.1","0.5","108","2","108","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cl3 N2 O3 S -","- C15 H19 Cl3 N2 O3 S -","- C60 H76 Cl12 N8 O12 S4 -","4","1","","Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb","Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems","Journal of Organic Chemistry","2011","76","","2094","2101","10.1021/jo1024392","","","0.71073","MoKα","","0.0568","0.0529","","","0.1328","0.1354","","","","","","1.114","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026162","15.327","0.005","7.905","0.003","19.504","0.007","90","","96.912","0.01","90","","2345.9","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O7 S2 -","- C23 H27 N O7 S2 -","- C92 H108 N4 O28 S8 -","4","1","","Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb","Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems","Journal of Organic Chemistry","2011","76","","2094","2101","10.1021/jo1024392","","","0.71073","MoKα","","0.1509","0.0804","","","0.1587","0.1868","","","","","","1.069","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026163","4.1459","0.0005","14.1723","0.0016","15.567","0.0017","90","","91.429","0.003","90","","914.38","0.18","173","","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H2 Br Cl I2 -","- C6 H2 Br Cl I2 -","- C24 H8 Br4 Cl4 I8 -","4","2","","Yuichi Hirano; Satoshi Kojima; Yohsuke Yamamoto","A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond","Journal of Organic Chemistry","2011","76","","2123","2131","10.1021/jo1024656","","","0.71075","MoKα","","0.0499","0.0425","","","0.0895","0.0928","","","","","","1.032","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026164","16.1669","0.0009","9.9131","0.0005","11.3102","0.0006","90","","90","","90","","1812.62","0.17","173","","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C20 H20 B Cl N4 O2 -","- C20 H20 B Cl N4 O2 -","- C80 H80 B4 Cl4 N16 O8 -","4","0.5","","Yuichi Hirano; Satoshi Kojima; Yohsuke Yamamoto","A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond","Journal of Organic Chemistry","2011","76","","2123","2131","10.1021/jo1024656","","","0.71075","MoKα","","0.0271","0.0261","","","0.0663","0.0668","","","","","","1.059","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026165","11.4097","0.0004","13.4664","0.0004","23.539","0.0007","90","","98.669","0.002","90","","3575.4","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H101 B2 Cl3 N2 O8 -","- C77 H101 B2 Cl3 N2 O8 -","- C154 H202 B4 Cl6 N4 O16 -","2","1","","Yvonne Loewer; Christine Weiss; Akkattu T. Biju; Roland Fröhlich; Frank Glorius","Synthesis and Application of a Chiral Diborate","Journal of Organic Chemistry","2011","76","","2324","2327","10.1021/jo102559s","","","1.54178","CuKα","","0.046","0.043","","","0.1076","0.1107","","","","","","1.013","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026166","20.749","0.004","20.042","0.004","11.915","0.002","90","","95.042","0.002","90","","4935.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H48 F6 O8.5 S6 -","- C42.5 H47.5 F6 O8.5 S6 -","- C170 H190 F24 O34 S24 -","4","1","","Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori","Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes","Journal of Organic Chemistry","2011","76","","2168","2179","10.1021/jo102566e","","","0.71073","MoKα","","0.0984","0.069","","","0.1682","0.1902","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026167","10.3827","0.0017","13.578","0.002","18.34","0.003","86.422","0.002","87.024","0.002","74.012","0.002","2479","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 F3 N O5 S5 -","- C48 H54 F3 N O5 S5 -","- C96 H108 F6 N2 O10 S10 -","2","1","","Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori","Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes","Journal of Organic Chemistry","2011","76","","2168","2179","10.1021/jo102566e","","","0.71073","MoKα","","0.0877","0.0601","","","0.1452","0.1685","","","","","","1.027","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026168","14.71","0.003","23.366","0.003","18.063","0.004","90","","106.207","0.002","90","","5962","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H76 N2 O6 S6 -","- C60 H76 N2 O6 S6 -","- C240 H304 N8 O24 S24 -","4","0.5","","Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori","Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes","Journal of Organic Chemistry","2011","76","","2168","2179","10.1021/jo102566e","","","0.71073","MoKα","","0.0483","0.0414","","","0.1125","0.1196","","","","","","1.073","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026169","8.9096","0.0007","7.9765","0.0005","20.3426","0.0015","90","","102.602","0.005","90","","1410.87","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu; Manas Das","Click-Reagent Version of Sonogashira Coupling Protocol to Conjugated Fluorescent Alkynes with No or Reduced Homocoupling","Journal of Organic Chemistry","2011","76","","2332","2337","10.1021/jo200005n","","","0.71073","MoKα","","0.1136","0.0535","","","0.1325","0.1575","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026170","8.5572","0.0004","7.3756","0.0004","29.6144","0.0014","90","","99.56","0.003","90","","1843.14","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu; Manas Das","Click-Reagent Version of Sonogashira Coupling Protocol to Conjugated Fluorescent Alkynes with No or Reduced Homocoupling","Journal of Organic Chemistry","2011","76","","2332","2337","10.1021/jo200005n","","","0.71073","MoKα","","0.1205","0.0432","","","0.0735","0.0791","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026171","17.3324","0.0008","17.3324","0.0008","10.8249","0.0005","90","","90","","90","","3251.9","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C18 H25 N O S -","- C18 H25 N O S -","- C144 H200 N8 O8 S8 -","8","1","","Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin","Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry","Journal of Organic Chemistry","2011","76","","2360","2366","10.1021/jo2000868","","","0.71073","MoKα","","0.0585","0.0406","","","0.0984","0.1214","","","","","","1.177","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026172","9.6969","0.0006","8.9917","0.0005","19.0384","0.0012","90","","93.568","0.002","90","","1656.77","0.17","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 N O S -","- C19 H25 N O S -","- C76 H100 N4 O4 S4 -","4","2","","Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin","Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry","Journal of Organic Chemistry","2011","76","","2360","2366","10.1021/jo2000868","","","0.71073","MoKα","","0.0782","0.0675","","","0.1769","0.182","","","","","","1.146","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026173","11.9102","0.0005","19.4178","0.0009","14.6074","0.0007","90","","91.028","0.002","90","","3377.7","0.3","223","2","223","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C22 H17 Br -","- C22 H17 Br -","- C176 H136 Br8 -","8","2","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0534","0.0462","","","0.1215","0.127","","","","","","1.033","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026174","8.6678","0.0016","6.1892","0.0004","21.92","0.002","90","","100.563","0.011","90","","1156","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 S -","- C13 H14 N2 S -","- C52 H56 N8 S4 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0841","0.0642","","","0.1639","0.1857","","","","","","1.005","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026175","5.5133","0.0002","9.0665","0.0003","25.619","0.0009","90","","90","","90","","1280.6","0.08","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","0.71073","MoKα","","0.0622","0.0497","","","0.1469","0.1773","","","","","","1.269","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026176","5.9552","0.0004","18.8208","0.0012","15.866","0.0013","90","","97.527","0.003","90","","1763","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.128","0.0912","","","0.2324","0.2714","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026177","10.3577","0.0006","11.0416","0.0006","19.1457","0.0011","90","","90","","90","","2189.6","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0754","0.0466","","","0.087","0.1016","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026178","8.8802","0.0002","9.8243","0.0002","10.8484","0.0002","96.224","0.002","96.788","0.001","109.107","0.001","877.04","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 F N2 O -","- C20 H21 F N2 O -","- C40 H42 F2 N4 O2 -","2","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0464","0.0422","","","0.1094","0.113","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026179","7.7073","0.0015","12.316","0.003","25.27","0.005","90","","98.4","0.03","90","","2373","0.9","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N O4 S -","- C28 H27 N O4 S -","- C112 H108 N4 O16 S4 -","4","1","","Junjun Tian; Rong Zhou; Haiyun Sun; Haibin Song; Zhengjie He","Phosphine-Catalyzed [4 + 1] Annulation between α,β-Unsaturated Imines and Allylic Carbonates: Synthesis of 2-Pyrrolines","Journal of Organic Chemistry","2011","76","","2374","2378","10.1021/jo200164v","","","0.71073","MoKα","","0.0941","0.0635","","","0.1581","0.1798","","","","","","0.975","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026180","8.87","0.006","11.581","0.007","17.35","0.012","90","","99.727","0.011","90","","1757","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br N2 O4 -","- C18 H15 Br N2 O4 -","- C72 H60 Br4 N8 O16 -","4","1","","Yao-Zong Liu; Rui-Ling Cheng; Peng-Fei Xu","Asymmetric Michael Addition of 1-Acetylindolin-3-ones to β-Nitrostyrenes Catalyzed by Bifunctional Thioureas: A Simple Access to 2-Functionalized Indoles","Journal of Organic Chemistry","2011","76","","2884","2887","10.1021/jo102022g","","","0.71073","MoKα","","0.1195","0.0582","","","0.1316","0.1595","","","","","","1.022","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026181","18.846","0.003","16.285","0.003","18.584","0.005","90","","90.355","0.003","90","","5703","2","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C58 H39 B F24 N3 Rh -","- C58 H39 B F24 N3 Rh -","- C232 H156 B4 F96 N12 Rh4 -","4","0.5","","Marianne Lenes Rosenberg; Klára Vlašaná; Nalinava Sen Gupta; David Wragg; Mats Tilset","Highlycis-Selective Rh(I)-Catalyzed Cyclopropanation Reactions","Journal of Organic Chemistry","2011","76","","2465","2470","10.1021/jo102140z","","","0.71073","MoKα","","0.1299","0.0836","","","0.2099","0.2361","","","","","","0.917","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026182","8.6158","0.0002","9.1007","0.0002","15.9933","0.0004","90.237","0.001","94.663","0.001","108.912","0.001","1181.79","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C52 H48 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0628","0.0492","","","0.1406","0.1538","","","","","","1.041","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026183","9.7543","0.0003","12.0791","0.0003","13.3845","0.0004","64.274","0.002","72.292","0.001","69.47","0.001","1308.71","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O5 S -","- C30 H26 N2 O5 S -","- C60 H52 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.1141","0.068","","","0.1864","0.2208","","","","","","1.055","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026184","7.487","0.0003","12.768","0.0006","13.672","0.0008","105.968","0.002","100.785","0.002","91.999","0.002","1229.17","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N3 O7 S -","- C26 H23 N3 O7 S -","- C52 H46 N6 O14 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0834","0.0501","","","0.1328","0.1483","","","","","","0.978","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026185","9.2163","0.0002","11.8473","0.0002","13.3206","0.0003","64.949","0.001","73.644","0.001","73.847","0.001","1242.99","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Br N2 O5 S -","- C26 H23 Br N2 O5 S -","- C52 H46 Br2 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0594","0.0453","","","0.1131","0.1228","","","","","","1.014","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026186","10.1649","0.0007","11.569","0.0008","12.0038","0.0008","62.991","0.001","76.864","0.002","84.433","0.002","1224.72","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Br N2 O5 S -","- C26 H23 Br N2 O5 S -","- C52 H46 Br2 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0419","0.0325","","","0.083","0.0875","","","","","","1.054","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026187","28.1546","0.0007","8.2808","0.0002","21.8419","0.0005","90","","118.169","0.001","90","","4489.14","0.19","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 N2 O6 S -","- C23 H26 N2 O6 S -","- C184 H208 N16 O48 S8 -","8","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0435","0.0389","","","0.1047","0.1083","","","","","","1.041","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026188","10.0542","0.0003","18.2032","0.0006","23.872","0.0008","90","","90","","90","","4369","0.2","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C22 H24 N2 O5 S -","- C22 H24 N2 O5 S -","- C176 H192 N16 O40 S8 -","8","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.1332","0.0605","","","0.1822","0.2543","","","","","","0.827","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026189","8.6303","0.0002","10.7438","0.0003","13.4034","0.0004","81.226","0.001","76.262","0.001","70.854","0.002","1136.68","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N3 O7 S -","- C22 H23 N3 O7 S -","- C44 H46 N6 O14 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0756","0.0537","","","0.1611","0.1856","","","","","","1.036","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026190","8.8982","0.0004","10.2771","0.0005","13.5859","0.0006","80.865","0.003","72.579","0.003","72.938","0.002","1129.81","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Br N2 O5 S -","- C22 H23 Br N2 O5 S -","- C44 H46 Br2 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0374","0.0315","","","0.076","0.0785","","","","","","1.07","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026191","10.342","0.002","6.7854","0.0014","18.153","0.004","90","","97.52","0.03","90","","1262.9","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 Br O3 Si -","- C25 H37 Br O3 Si -","- C50 H74 Br2 O6 Si2 -","2","1","","Lichao Fang; Yuan Chen; Jun Huang; Lianzhu Liu; Junmin Quan; Chuang-chuang Li; Zhen Yang","Formal Synthesis of Cortistatins","Journal of Organic Chemistry","2011","76","","2479","2487","10.1021/jo102202t","","","0.71073","MoKα","","0.1221","0.047","","","0.0606","0.0704","","","","","","0.918","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026192","18.718","0.004","8.9611","0.0018","14.835","0.003","90","","97.02","0.03","90","","2469.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 O4 Si -","- C25 H36 O4 Si -","- C100 H144 O16 Si4 -","4","1","","Lichao Fang; Yuan Chen; Jun Huang; Lianzhu Liu; Junmin Quan; Chuang-chuang Li; Zhen Yang","Formal Synthesis of Cortistatins","Journal of Organic Chemistry","2011","76","","2479","2487","10.1021/jo102202t","","","0.71073","MoKα","","0.1592","0.0607","","","0.116","0.125","","","","","","1.001","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026193","13.491","0.004","13.676","0.004","21.937","0.006","90","","90.794","0.004","90","","4047","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H6 O S4 -","- C74 H6 O S4 -","- C296 H24 O4 S16 -","4","1","","Irina P. Romanova; Andrey V. Bogdanov; Vladimir F. Mironov; Gulnara R. Shaikhutdinova; Olga A. Larionova; Shamil K. Latypov; Alsu A. Balandina; Dmitry G. Yakhvarov; Aidar T. Gubaidullin; Alina F. Saifina; Oleg G. Sinyashin","Deoxygenation of Some α-Dicarbonyl Compounds by Tris(diethylamino)phosphine in the Presence of Fullerene C60","Journal of Organic Chemistry","2011","76","","2548","2557","10.1021/jo102332e","","","0.71073","MoKα","","0.368","0.0826","","","0.1246","0.2354","","","","","","0.992","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026194","10.1957","0.0011","19.914","0.002","18.513","0.002","90","","91.457","0.001","90","","3757.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H8 Cl3 N O -","- C70 H8 Cl3 N O -","- C280 H32 Cl12 N4 O4 -","4","1","","Irina P. Romanova; Andrey V. Bogdanov; Vladimir F. Mironov; Gulnara R. Shaikhutdinova; Olga A. Larionova; Shamil K. Latypov; Alsu A. Balandina; Dmitry G. Yakhvarov; Aidar T. Gubaidullin; Alina F. Saifina; Oleg G. Sinyashin","Deoxygenation of Some α-Dicarbonyl Compounds by Tris(diethylamino)phosphine in the Presence of Fullerene C60","Journal of Organic Chemistry","2011","76","","2548","2557","10.1021/jo102332e","","","0.71073","MoKα","","0.0949","0.0518","","","0.1063","0.1242","","","","","","1.026","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026195","8.1967","0.0001","9.8216","0.0002","9.2868","0.0002","90","","101.543","0.001","90","","732.51","0.02","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 I O -","- C18 H15 I O -","- C36 H30 I2 O2 -","2","1","","Srinivasa Reddy Mothe; Prasath Kothandaraman; Weidong Rao; Philip Wai Hong Chan","Rapid Access to Halohydrofurans via Brønsted Acid-Catalyzed Hydroxylation/Halocyclization of Cyclopropyl Methanols with Water and Electrophilic Halides","Journal of Organic Chemistry","2011","76","","2521","2531","10.1021/jo102374z","","","0.71073","MoKα","","0.0282","0.0212","","","0.0501","0.0579","","","","","","1.089","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026196","5.6207","0.0006","8.9814","0.0009","13.4657","0.0016","90","","98.176","0.006","90","","672.86","0.13","103","2","103","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H15 F O -","- C18 H15 F O -","- C36 H30 F2 O2 -","2","1","","Srinivasa Reddy Mothe; Prasath Kothandaraman; Weidong Rao; Philip Wai Hong Chan","Rapid Access to Halohydrofurans via Brønsted Acid-Catalyzed Hydroxylation/Halocyclization of Cyclopropyl Methanols with Water and Electrophilic Halides","Journal of Organic Chemistry","2011","76","","2521","2531","10.1021/jo102374z","","","0.71073","MoKα","","0.0631","0.0443","","","0.1228","0.1457","","","","","","1.077","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026197","14.4658","0.0019","14.4658","0.0019","13.482","0.0018","90","","90","","90","","2821.2","0.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","2,6-Bis(triisopropylsilyl)-cyclopenta[2,1-b;3,4-b']dithiazole-4-one","2,6-Bis(triisopropylsilyl)-cyclopenta[2,1-b;3,4-b']dithiazole-4-one","","- C25 H42 N2 O S2 Si2 -","- C25 H42 N2 O S2 Si2 -","- C100 H168 N8 O4 S8 Si8 -","4","0.5","","Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties","Journal of Organic Chemistry","2011","76","","2660","2671","10.1021/jo102502u","","","0.71073","MoKα","","0.0401","0.0344","","","0.0877","0.0929","","","","","","0.964","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026198","15.36","0.002","12.783","0.0016","19.119","0.002","90","","90","","90","","3754","0.8","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","2,7-Bis-trimethylsilyl-benzo[2,1-b:3,4-b']dithiophene-4,5-dione","2,7-Bis-trimethylsilyl-benzo[2,1-b:3,4-b']dithiophene-4,5-dione","","- C16 H20 O2 S2 Si2 -","- C16 H20 O2 S2 Si2 -","- C128 H160 O16 S16 Si16 -","8","1","","Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties","Journal of Organic Chemistry","2011","76","","2660","2671","10.1021/jo102502u","","","0.71073","MoKα","","0.0307","0.0257","","","0.0707","0.0742","","","","","","1.05","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026199","18.711","0.005","8.334","0.002","18.767","0.005","90","","97.692","0.004","90","","2900.1","1.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","2,7-bis(triisopropylsilyl)-benzo[2,1-b:3,4-b']dithiazole-4,5-dione","2,7-bis(triisopropylsilyl)-benzo[2,1-b:3,4-b']dithiazole-4,5-dione","","- C26 H42 N2 O2 S2 Si2 -","- C26 H42 N2 O2 S2 Si2 -","- C104 H168 N8 O8 S8 Si8 -","4","1","","Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties","Journal of Organic Chemistry","2011","76","","2660","2671","10.1021/jo102502u","","","0.71073","MoKα","","0.0842","0.0623","","","0.1531","0.1651","","","","","","1.045","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026200","9.533","0.0003","10.9995","0.0004","11.9696","0.0005","90","","90","","90","","1255.11","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O S -","- C12 H18 N2 O S -","- C48 H72 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0906","0.0571","","","0.1477","0.1961","","","","","","1.097","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026201","7.6755","0.0002","10.2448","0.0003","17.465","0.0006","90","","90","","90","","1373.34","0.07","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O S -","- C13 H20 N2 O S -","- C52 H80 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0609","0.0431","","","0.1052","0.1312","","","","","","1.147","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026202","6.5475","0.0002","16.1647","0.0004","16.3838","0.0006","90","","90","","90","","1734.03","0.09","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Cl N2 O S -","- C15 H23 Cl N2 O S -","- C60 H92 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0819","0.052","","","0.132","0.1676","","","","","","1.117","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4026203","6.3446","0.0003","11.0696","0.0005","13.4095","0.0008","102.652","0.002","95.2089","0.0019","101.729","0.004","890.65","0.08","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H25 Cl N2 O S -","- C16 H25 Cl N2 O S -","- C32 H50 Cl2 N4 O2 S2 -","2","2","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0917","0.0605","","","0.1451","0.1706","","","","","","1.004","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026204","13.1061","0.0004","10.2071","0.0004","14.886","0.0005","90","","90.438","0.003","90","","1991.32","0.12","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl N2 O S -","- C17 H27 Cl N2 O S -","- C68 H108 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.113","0.0607","","","0.1736","0.2062","","","","","","1.221","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026205","6.4544","0.00021","12.33061","0.0004","16.15021","0.00059","90","","90","","90","","1285.34","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N2 O S -","- C12 H20 N2 O S -","- C48 H80 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0952","0.0543","","","0.149","0.1867","","","","","","1.24","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026206","8.7773","0.0003","11.8656","0.0005","14.594","0.0007","90","","90","","90","","1519.93","0.11","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 N2 O S -","- C13 H22 N2 O S -","- C52 H88 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0874","0.0516","","","0.1294","0.167","","","","","","1.117","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026207","10.2036","0.0004","8.6192","0.0003","10.5131","0.0006","90","","101.707","0.0016","90","","905.36","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H27 Cl N2 O S -","- C16 H27 Cl N2 O S -","- C32 H54 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0533","0.0414","","","0.1135","0.1419","","","","","","1.16","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026208","5.9363","0.0002","7.4643","0.0003","17.4672","0.0009","90","","96.8255","0.0014","90","","768.49","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N2 O S -","- C15 H24 N2 O S -","- C30 H48 N4 O2 S2 -","2","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0855","0.0562","","","0.1482","0.1896","","","","","","1.216","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026209","17.6766","0.0005","17.6766","0.0005","12.3407","0.0002","90","","90","","120","","3339.4","0.14","173","2","173","2","","","","","","","","6","P 65","P 65","170","","","","- C36 H66 Cl2 N4 O3 S2 -","- C36 H66 Cl2 N4 O3 S2 -","- C108 H198 Cl6 N12 O9 S6 -","3","0.5","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.1078","0.0653","","","0.1618","0.2121","","","","","","1.146","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026210","6.1794","0.0004","10.36","0.0007","27.9401","0.0018","90","","90","","90","","1788.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F3 N3 O4 -","- C19 H18 F3 N3 O4 -","- C76 H72 F12 N12 O16 -","4","1","","Viktor O. Iaroshenko; Dmytro Ostrovskyi; Andranik Petrosyan; Satenik Mkrtchyan; Alexander Villinger; Peter Langer","Synthesis of Fluorinated Purine and 1-Deazapurine Glycosides as Potential Inhibitors of Adenosine Deaminase","Journal of Organic Chemistry","2011","76","","2899","2903","10.1021/jo102579g","","","0.71073","MoKα","","0.0474","0.0374","","","0.088","0.0928","","","","","","1.043","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026211","10.2659","0.0008","16.5538","0.0012","16.9975","0.0012","90","","90","","90","","2888.5","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Br N2 O -","- C30 H25 Br N2 O -","- C120 H100 Br4 N8 O4 -","4","1","","Takayoshi Arai; Makiko Wasai; Naota Yokoyama","Easy Access to Fully Functionalized Chiral Tetrahydro-β-Carboline Alkaloids","Journal of Organic Chemistry","2011","76","","2909","2912","10.1021/jo1025833","","","0.71073","MoKα","","0.1446","0.137","","","0.3728","0.38","","","","","","2.798","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026212","10.6539","0.0013","21.564","0.002","10.5326","0.0012","90","","90.132","0.001","90","","2419.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O4 S2 -","- C26 H26 N2 O4 S2 -","- C104 H104 N8 O16 S8 -","4","1","","Hui Xu; Shaojin Gu; Wanzhi Chen; Dacheng Li; Jianmin Dou","TBAF-Mediated Reactions of 1,1-Dibromo-1-alkenes with Thiols and Amines and Regioselective Synthesis of 1,2-Heterodisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","2448","2458","10.1021/jo2000176","","","0.71073","MoKα","","0.0972","0.047","","","0.1068","0.1394","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026213","8.2394","0.0008","11.41","0.0011","11.7344","0.0013","72.417","0.001","89.019","0.002","70.156","0.001","984.68","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 Br2 N2 O4 S2 -","- C36 H54 Br2 N2 O4 S2 -","- C36 H54 Br2 N2 O4 S2 -","1","0.5","","Hui Xu; Shaojin Gu; Wanzhi Chen; Dacheng Li; Jianmin Dou","TBAF-Mediated Reactions of 1,1-Dibromo-1-alkenes with Thiols and Amines and Regioselective Synthesis of 1,2-Heterodisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","2448","2458","10.1021/jo2000176","","","0.71073","MoKα","","0.1226","0.0644","","","0.1546","0.1795","","","","","","1","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026214","5.352","0.009","7.214","0.011","35.96","0.06","90","","90.798","0.017","90","","1388","4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 S8 -","- C28 H22 S8 -","- C56 H44 S16 -","2","0.5","","Guang Chen; Ilias Mahmud; Louise N. Dawe; Lee M. Daniels; Yuming Zhao","Synthesis and Properties of Conjugated Oligoyne-Centered π-Extended Tetrathiafulvalene Analogues and Related Macromolecular Systems","Journal of Organic Chemistry","2011","76","","2701","2715","10.1021/jo2000447","","","0.71075","MoKα","","0.1218","0.1143","","","0.3427","0.359","","","","","","1.511","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026215","7.827","0.004","8.897","0.004","23.452","0.01","91.643","0.011","90.138","0.014","95.741","0.01","1624.2","1.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 S8 -","- C35 H25 S8 -","- C70 H50 S16 -","2","1","","Guang Chen; Ilias Mahmud; Louise N. Dawe; Lee M. Daniels; Yuming Zhao","Synthesis and Properties of Conjugated Oligoyne-Centered π-Extended Tetrathiafulvalene Analogues and Related Macromolecular Systems","Journal of Organic Chemistry","2011","76","","2701","2715","10.1021/jo2000447","","","0.71075","MoKα","","0.0772","0.0671","","","0.1791","0.1926","","","","","","1.093","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026216","6.0781","0.0019","12.324","0.004","19.719","0.006","90","","90","","90","","1477.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Br N2 O3 -","- C13 H19 Br N2 O3 -","- C52 H76 Br4 N8 O12 -","4","1","","Guolin Cheng; Xinyan Wang; Rui Zhu; Changwei Shao; Jimin Xu; Yuefei Hu","Total Synthesis of (-)-Cocaine and (-)-Ferruginine","Journal of Organic Chemistry","2011","76","","2694","2700","10.1021/jo200069m","","","0.7107","MoKα","","0.0503","0.0357","","","0.058","0.0627","","","","","","0.887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026217","5.8249","0.0007","11.1726","0.0014","12.4624","0.0014","90","","90","","90","","811.04","0.17","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 B F3 N -","- C6 H13 B F3 N -","- C24 H52 B4 F12 N4 -","4","1","","Jessica Raushel; Deidre L. Sandrock; Kanth V. Josyula; Deborah Pakyz; Gary A. Molander","Reinvestigation of Aminomethyltrifluoroborates and Their Application in Suzuki-Miyaura Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","2762","2769","10.1021/jo2001066","","","0.71073","MoKα","","0.0224","0.0221","","","0.0565","0.0568","","","","","","1.072","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026218","8.4494","0.0003","12.0453","0.0005","14.0749","0.0008","114.534","0.003","90.775","0.003","109.493","0.002","1208.98","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H35 N O6 Si -","- C23 H35 N O6 Si -","- C46 H70 N2 O12 Si2 -","2","1","","Jutatip Boonsompat; Albert Padwa","An IMDAF Cycloaddition Approach toward the Synthesis of the Lycopodium Alkaloid (\±)-Fawcettidine","Journal of Organic Chemistry","2011","76","","2753","2761","10.1021/jo200125c","","","1.54178","CuKα","","0.0449","0.0349","","","0.0869","0.0931","","","","","","1.001","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026219","15.1192","0.0007","8.3556","0.0003","9.8683","0.0003","90","","90.894","0.003","90","","1246.51","0.08","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H16 N O4 -","- C15 H16 N O4 -","- C60 H64 N4 O16 -","4","1","","Jutatip Boonsompat; Albert Padwa","An IMDAF Cycloaddition Approach toward the Synthesis of the Lycopodium Alkaloid (\±)-Fawcettidine","Journal of Organic Chemistry","2011","76","","2753","2761","10.1021/jo200125c","","","1.54178","CuKα","","0.0405","0.0378","","","0.1066","0.108","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026220","7.6398","0.0002","10.5667","0.0003","19.3868","0.0005","90","","90","","90","","1565.05","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H13 F3 N3 -","- C20 H13 F3 N3 -","- C80 H52 F12 N12 -","4","1","","Christos P. Constantinides; Panayiotis A. Koutentis; Harry Krassos; Jeremy M. Rawson; Anastasios J. Tasiopoulos","Characterization and Magnetic Properties of a ""Super Stable"" Radical 1,3-Diphenyl-7-trifluoromethyl-1,4-dihydro-1,2,4-benzotriazin-4-yl","Journal of Organic Chemistry","2011","76","","2798","2806","10.1021/jo200210s","","","0.71073","MoKα","","0.032","0.0285","","","0.0716","0.0724","","","","","","1.093","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026221","10.0656","0.0003","14.638","0.0003","16.2287","0.0004","90","","90","","90","","2391.14","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Vaibhav P. Mehta; Sachin G. Modha; Eelco Ruijter; Kristof Van Hecke; Luc Van Meervelt; Christophe Pannecouque; Jan Balzarini; Romano V. A. Orru; Erik Van der Eycken","A Microwave-Assisted Diastereoselective Multicomponent Reaction To Access Dibenzo[c,e]azepinones: Synthesis and Biological Evaluation","Journal of Organic Chemistry","2011","76","","2828","2839","10.1021/jo200251q","","","1.54178","CuKα","","0.0348","0.0331","","","0.0802","0.081","","","","","","1.094","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026222","11.71","0.002","18.933","0.003","13.1103","0.0019","90","","110.071","0.011","90","","2730.1","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N2 O4 S -","- C28 H40 N2 O4 S -","- C112 H160 N8 O16 S4 -","4","2","","Vaibhav P. Mehta; Sachin G. Modha; Eelco Ruijter; Kristof Van Hecke; Luc Van Meervelt; Christophe Pannecouque; Jan Balzarini; Romano V. A. Orru; Erik Van der Eycken","A Microwave-Assisted Diastereoselective Multicomponent Reaction To Access Dibenzo[c,e]azepinones: Synthesis and Biological Evaluation","Journal of Organic Chemistry","2011","76","","2828","2839","10.1021/jo200251q","","","1.54178","CuKα","","0.063","0.0508","","","0.1217","0.1292","","","","","","1.027","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026223","18.8136","0.0007","12.6205","0.0004","16.4241","0.0007","90","","92.335","0.002","90","","3896.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F3 N2 O2 -","- C22 H17 F3 N2 O2 -","- C176 H136 F24 N16 O16 -","8","1","","Vaibhav P. Mehta; Sachin G. Modha; Eelco Ruijter; Kristof Van Hecke; Luc Van Meervelt; Christophe Pannecouque; Jan Balzarini; Romano V. A. Orru; Erik Van der Eycken","A Microwave-Assisted Diastereoselective Multicomponent Reaction To Access Dibenzo[c,e]azepinones: Synthesis and Biological Evaluation","Journal of Organic Chemistry","2011","76","","2828","2839","10.1021/jo200251q","","","1.54178","CuKα","","0.0503","0.0435","","","0.1069","0.1122","","","","","","1.034","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026224","21.235","0.017","8.271","0.007","13.904","0.011","90","","92.777","0.011","90","","2439","3","173.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H27 Br O4 -","- C26 H27 Br O4 -","- C104 H108 Br4 O16 -","4","1","","Shuji Yamashita; Kentaro Iso; Kazuki Kitajima; Masafumi Himuro; Masahiro Hirama","Total Synthesis of Cortistatins A and J","Journal of Organic Chemistry","2011","76","","2408","2425","10.1021/jo2002616","","","0.7107","MoKα","","","0.0687","","","","0.1967","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026225","12.401","","9.151","","14.292","","90","","101.03","","90","","1591.92","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 O6 S -","- C32 H38 O10 S -","- C64 H76 O20 S2 -","2","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1265","0.0496","","","0.1301","0.1509","","","","","","1.197","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026226","10.952","","11.122","","20.295","","90","","90","","90","","2472.1","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N O8 S -","- C25 H31 N O6 S -","- C100 H124 N4 O24 S4 -","4","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1891","0.0594","","","0.1053","0.1394","","","","","","0.947","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026227","8.304","","8.832","","27.774","","90","","90","","90","","2036.97","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 S -","- C19 H25 N O7 S -","- C76 H100 N4 O28 S4 -","4","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1438","0.0519","","","0.1131","0.1426","","","","","","1.008","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026228","16.3","0.004","9.767","0.002","10.675","0.002","90","","97.367","0.003","90","","1685.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C72 H72 Cl8 N8 O8 -","4","1","","Ming Li; Zhong-Min Zhou; Li-Rong Wen; Zhong-Xuan Qiu","Chemistry of Heterocyclic Ketene Aminals: Construction of Imidazo(pyrido)[1,2-a]pyridines and Imidazo(pyrido)[3,2,1-ij][1,8]naphthyridines via DABCO-Catalyzed Tandem Annulations","Journal of Organic Chemistry","2011","76","","3054","3063","10.1021/jo102167g","","","0.71073","MoKα","","0.0736","0.0671","","","0.1323","0.1359","","","","","","1.183","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026229","7.0376","0.0014","24.005","0.005","8.5996","0.0017","90","","101.32","0.03","90","","1424.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Ming Li; Zhong-Min Zhou; Li-Rong Wen; Zhong-Xuan Qiu","Chemistry of Heterocyclic Ketene Aminals: Construction of Imidazo(pyrido)[1,2-a]pyridines and Imidazo(pyrido)[3,2,1-ij][1,8]naphthyridines via DABCO-Catalyzed Tandem Annulations","Journal of Organic Chemistry","2011","76","","3054","3063","10.1021/jo102167g","","","0.71073","MoKα","","0.0907","0.0493","","","0.1166","0.1525","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026230","10.5715","0.0013","10.8354","0.0013","15.3212","0.0019","89.97","0.0018","110.615","0.0016","90.8135","0.0018","1642.4","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","2","","Anthony J. Brockway; Marcos González-López; James C. Fettinger; Jared T. Shaw","Direct Displacement of Alkoxy Groups of Vinylogous Esters by Grignard Reagents","Journal of Organic Chemistry","2011","76","","3515","3518","10.1021/jo102537n","","","0.71073","MoKα","","0.0488","0.0404","","","0.1094","0.1142","","","","","","1.05","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026231","18.698","0.0005","30.7933","0.0007","31.393","0.0008","90","","90","","90","","18075.2","0.8","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H242 N6 O62 P2 Si2 W17 -","- C134 N6 O62 P2 Si2 W17 -","- C536 N24 O248 P8 Si8 W68 -","4","1","","B. Matt; S. Renaudineau; L.-M. Chamoreau; C. Afonso; G. Izzet; A. Proust","Hybrid Polyoxometalates: Keggin and Dawson Silyl Derivatives as Versatile Platforms","Journal of Organic Chemistry","2011","76","","3107","3112","10.1021/jo102546v","","","0.71073","MoKα","","0.0983","0.0751","","","0.1572","0.1764","","","","","","1.161","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026232","13.1671","0.0019","13.1671","0.0019","19.597","0.004","90","","90","","90","","3397.6","1","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H27 N3 O0 -","- C19 H27 N3 -","- C152 H216 N24 -","8","1","","Fei Wang; Shangjun Cai; Qian Liao; Chanjuan Xi","A Protocol to 2-Aminobenzimidazoles via Copper-Catalyzed Cascade Addition and Cyclization of o-Haloanilines and Carbodiimides","Journal of Organic Chemistry","2011","76","","3174","3180","10.1021/jo200014v","","","0.71073","MoKα","","0.1037","0.0877","","","0.1819","0.1905","","","","","","1.21","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026233","9.3845","0.001","11.3527","0.0012","27.088","0.003","90","","90","","90","","2885.9","0.5","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H19 B10 N O -","- C8 H19 B10 N O -","- C64 H152 B80 N8 O8 -","8","1","","Rashmirekha Satapathy; Barada Prasanna Dash; Chong Zheng; John A. Maguire; Narayan S. Hosmane","Carboranylpyrroles: A Synthetic Investigation","Journal of Organic Chemistry","2011","76","","3562","3565","10.1021/jo2000463","","","0.71073","MoKα","","0.1012","0.101","","","0.1817","0.1818","","","","","","1.498","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026234","9.1735","0.0004","9.1735","0.0004","25.9022","0.0014","90","","90","","120","","1887.72","0.15","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","(R)-1,1'-bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H- 11,11'-binaphtho[2,3-b]azepine","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C90 H84 N6 O12 S6 -","3","0.5","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0491","0.0393","","","0.0924","0.0967","","","","","","1.085","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026235","10.4123","0.0007","10.7934","0.0006","27.6152","0.0016","90","","90","","90","","3103.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N,N'-(3,3'-diallyl-1,1'-binaphthyl-2,2'-diyl)bis(N-allyl- methanesulfonamide)","","- C34 H36 N2 O4 S2 -","- C34 H36 N2 O4 S2 -","- C136 H144 N8 O16 S8 -","4","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.1128","0.0572","","","0.1072","0.1251","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026236","10.7373","0.0015","10.7373","0.0015","47.341","0.01","90","","90","","120","","4726.7","1.4","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","(R)-N,N'-(3,3'-diallyl-1,1'-binaphthyl-2,2'-diyl)bis(N-allyl- methanesulfonamide)","","- C34 H36 N2 O4 S2 -","- C34 H36 N2 O4 S2 -","- C204 H216 N12 O24 S12 -","6","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0841","0.0558","","","0.1275","0.1363","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026237","16.648","0.003","9.1111","0.0018","29.258","0.005","90","","90","","90","","4437.9","1.4","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","rac-2,2',5,5'-Tetrahydro-11,11'-binaphtho[2,3-b]oxepine","","- C31 H25 O2 -","- C31 H25 O2 -","- C248 H200 O16 -","8","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.2658","0.0778","","","0.1329","0.1958","","","","","","0.93","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026238","10.6948","0.0003","10.6948","0.0003","40.1721","0.0013","90","","90","","120","","3979.2","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","(R)-1,1'-bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H- 11,11'-binaphtho[2,3-b]azepine#","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C180 H168 N12 O24 S12 -","6","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0594","0.0451","","","0.1119","0.1185","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026239","24.797","0.0018","24.797","0.0018","26.391","0.003","90","","90","","120","","14054","2","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C36.67 H36 O4 -","- C36.6667 H35.99 O4 -","- C660 H647.82 O72 -","18","1","","Tao Wang; Zi-Yang Li; An-Le Xie; Xiao-Jun Yao; Xiao-Ping Cao; Dietmar Kuck","Tribenzotriquinacenes Bearing Six-Fold Benzofuran Extensions: Electron-Rich C3v-Symmetrical Hosts for C60","Journal of Organic Chemistry","2011","76","","3231","3238","10.1021/jo2000918","","","0.71073","MoKα","","0.2088","0.0701","","","0.1643","0.2041","","","","","","0.743","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026240","19.4535","0.0011","7.3089","0.0003","22.1934","0.0012","90","","96.279","0.002","90","","3136.6","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","1","","Sylvie Goncalves; Stefano Santoro; Marc Nicolas; Alain Wagner; Philippe Maillos; Fahmi Himo; Rachid Baati","Cationic Cyclization of 2-Alkenyl-1,3-dithiolanes: Diastereoselective Synthesis of trans-Decalins","Journal of Organic Chemistry","2011","76","","3274","3285","10.1021/jo2001116","","","0.71073","MoKα","","0.0863","0.0518","","","0.1322","0.1587","","","","","","1.043","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026241","7.9416","0.0016","7.0441","0.0014","23.239","0.005","90","","92.42","0.03","90","","1298.9","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Chao Li; Shanghui Tu; Shuguang Wen; Shan Li; Junbiao Chang; Feng Shao; Xiaoguang Lei","Total Synthesis of the G2/M DNA Damage Checkpoint Inhibitor Psilostachyin C","Journal of Organic Chemistry","2011","76","","3566","3570","10.1021/jo2001275","","","0.71073","MoKα","","0.1048","0.0915","","","0.1969","0.2047","","","","","","1.194","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026242","22.357","0.005","10.23","0.002","18.278","0.004","90","","116.86","0.03","90","","3729.4","1.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H58 O10 -","- C38 H58 O10 -","- C152 H232 O40 -","4","0.5","","Chao Li; Shanghui Tu; Shuguang Wen; Shan Li; Junbiao Chang; Feng Shao; Xiaoguang Lei","Total Synthesis of the G2/M DNA Damage Checkpoint Inhibitor Psilostachyin C","Journal of Organic Chemistry","2011","76","","3566","3570","10.1021/jo2001275","","","0.71073","MoKα","","0.0873","0.0813","","","0.197","0.2015","","","","","","1.22","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026243","10.069","0.005","9.734","0.005","19.568","0.009","90","","93.939","0.007","90","","1913.4","1.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08111","","","- C20 H29 N O4 -","- C20 H29 N O4 -","- C80 H116 N4 O16 -","4","2","","Andrew G. Lohse; Richard P. Hsung; Mitchell D. Leider; Sunil K. Ghosh","Developing a Diastereoselective Intramolecular [4 + 3] Cycloaddition of Nitrogen-Stabilized Oxyallyl Cations Derived from N-Sulfonyl-Substituted Allenamides","Journal of Organic Chemistry","2011","76","","3246","3257","10.1021/jo200147h","","","0.71073","MoKα","","0.0934","0.0645","","","0.1358","0.1479","","","","","","1.027","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026244","19.4943","0.0014","7.1177","0.0005","10.3329","0.0007","90","","93.7","0.001","90","","1430.75","0.17","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10149","","","- C15 H14 N2 O6 S -","- C15 H14 N2 O6 S -","- C60 H56 N8 O24 S4 -","4","1","","Andrew G. Lohse; Richard P. Hsung; Mitchell D. Leider; Sunil K. Ghosh","Developing a Diastereoselective Intramolecular [4 + 3] Cycloaddition of Nitrogen-Stabilized Oxyallyl Cations Derived from N-Sulfonyl-Substituted Allenamides","Journal of Organic Chemistry","2011","76","","3246","3257","10.1021/jo200147h","","","0.71073","MoKα","","0.0509","0.0385","","","0.0917","0.1032","","","","","","1.038","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026245","17.441","0.0003","14.2204","0.0003","11.6628","0.0003","90","","106.274","0.005","90","","2776.69","0.13","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C26 H7.5 N0.25 Sc0.75 -","- C26 H7.5 N0.25 Sc0.76 -","- C208 H60 N2 Sc6.08 -","8","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.7378","synchrotron","","0.1368","0.1262","","","0.3336","0.3466","","","","","","1.86","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026246","34.2052","0.0014","24.701","0.0012","31.3815","0.0014","90","","110.573","0.002","90","","24823","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C170 H122.5 N8.5 O4 Sc1.5 Zn2 -","- C170 H122.5 N8.25 O4 Sc1.53 Zn2 -","- C1360 H980 N66 O32 Sc12.24 Zn16 -","8","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.7378","synchrotron","","0.1867","0.1325","","","0.3027","0.3232","","","","","","1.806","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026247","14.3576","0.0005","45.9206","0.0015","21.1694","0.0005","90","","96.394","0.001","90","","13870.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C208 H104 N9 O4 Sc3 Zn2 -","- C211.879 H108.849 N9 O4 Sc3 Zn2 -","- C847.517 H435.396 N36 O16 Sc12 Zn8 -","4","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.7378","synchrotron","","0.1278","0.1146","","","0.2886","0.3002","","","","","","1.013","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026248","12.803","0.008","23.382","0.013","33.72","0.03","90","","94.558","0.014","90","","10062","12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C118 H99 N10 O6 Zn2 -","- C118 H99 N10 O6 Zn2 -","- C472 H396 N40 O24 Zn8 -","4","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.71073","MoKα","","0.2318","0.099","","","0.2227","0.281","","","","","","1.221","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026249","7.2558","0.0002","11.0858","0.0004","12.0016","0.0004","90","","100.819","0.002","90","","948.21","0.05","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","(7R,8S)-8-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl) -1-azabicyclo[5.2.0]nonane-9-thione","","- C16 H31 N O S Si -","- C16 H31 N O S Si -","- C32 H62 N2 O2 S2 Si2 -","2","1","","Magdalena Woźnica; Aleksandra Butkiewicz; Aneta Grzywacz; Patrycja Kowalska; Marek Masnyk; Karol Michalak; Roman Luboradzki; Filipp Furche; Holger Kruse; Stefan Grimme; Jadwiga Frelek","Ring-Expanded Bicyclic β-Lactams: A Structure-Chiroptical Properties Relationship Investigation by Experiment and Calculations","Journal of Organic Chemistry","2011","76","","3306","3319","10.1021/jo200171w","","","0.71073","MoKα","","0.0604","0.0521","","","0.1014","0.1082","","","","","","1.101","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026250","16.5754","0.0006","5.9062","0.0002","16.6481","0.0008","90","","98.622","0.002","90","","1611.39","0.11","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Koujiro Tambara; Nandhini Ponnuswamy; Gunther Hennrich; G. Dan Pantoş","Microwave-Assisted Synthesis of Naphthalenemonoimides and N-Desymmetrized Naphthalenediimides","Journal of Organic Chemistry","2011","76","","3338","3347","10.1021/jo200177s","","","0.71073","MoKα","","0.1072","0.0497","","","0.1084","0.1259","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026251","8.7677","0.0004","16.5022","0.0007","20.6975","0.0008","90","","90","","90","","2994.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O7 S -","- C32 H41 N O7 S -","- C128 H164 N4 O28 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0282","0.0276","","","0.0711","0.0716","","","","","","1.051","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026252","7.5083","0.0005","17.6294","0.001","18.7013","0.001","90","","90","","90","","2475.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C104 H108 N4 O24 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0481","0.0429","","","0.121","0.1275","","","","","","1.063","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026253","9.0923","0.0005","15.3412","0.0006","17.4219","0.0009","90","","90","","90","","2430.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl [3R,3aS,4S,11bR,11cS,(S)S]-3-Ethoxy-11c-p-tolylsulfinyl -1-oxo-3a,4,11b,11c-tetrahydro-1H,3H-furo[3',4':3,4]pyrrolo[2,1-a] isoquinoline-4-carboxylate","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C104 H108 N4 O24 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0563","0.0395","","0.1019","0.0927","","","","1.049","1.06","1.06","","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026254","10.273","0.0013","10.2509","0.0014","11.609","0.002","90","","92.675","0.011","90","","1221.2","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl [3S,3aS,4S,11bR,11cS,(S)S]-3-ethoxy-11c-p-tolylsulfinyl -1-oxo-3a,4,11b,11c-tetrahydro-1H,3H-furo[3',4':3,4]pyrrolo[2,1-a] isoquinoline-4-carboxylate","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C52 H54 N2 O12 S2 -","2","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0439","0.037","","0.1028","0.0959","","","","1.054","1.053","1.053","","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026255","6.928","0.002","8.502","0.003","25.635","0.008","90","","95.193","0.006","90","","1503.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br2 O6 -","- C12 H14 Br2 O6 -","- C48 H56 Br8 O24 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71073","MoKα","","0.0816","0.0436","","","0.0935","0.1291","","","","","","1.063","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026256","9.838","0.003","13.901","0.003","12.084","0.003","90","","107.725","0.004","90","","1574.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br2 O4 -","- C15 H14 Br2 O4 -","- C60 H56 Br8 O16 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71073","MoKα","","0.094","0.0494","","","0.1161","0.1721","","","","","","1.049","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026257","6.778","0.005","10.779","0.005","18.776","0.005","90","0.005","99.987","0.005","90","0.005","1351","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 B Br2 F2 O6 -","- C10 H9 B Br2 F2 O6 -","- C40 H36 B4 Br8 F8 O24 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71069","MoKα","","0.04","0.0337","","","0.0851","0.0879","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026258","16.458","0.006","6.3995","0.0019","13.491","0.005","90","","115.273","0.01","90","","1284.9","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H10 Br2 O6 -","- C10 H10 Br2 O6 -","- C40 H40 Br8 O24 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71073","MoKα","","0.0658","0.0439","","","0.0998","0.1394","","","","","","1.102","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026259","5.7361","0.0003","13.5039","0.0006","19.7921","0.0008","90","","90","","90","","1533.09","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu","Installation/Modulation of the Emission Response via Click Reaction","Journal of Organic Chemistry","2011","76","","3348","3356","10.1021/jo200231k","","","0.71073","MoKα","","0.1237","0.038","","","0.0476","0.0531","","","","","","0.925","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026260","10.989","0.002","11.956","0.002","14.877","0.004","105.234","0.005","94.855","0.005","116.184","0.004","1646.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H11 Br N4 -","- C19 H11 Br N4 -","- C76 H44 Br4 N16 -","4","2","","Subhendu Sekhar Bag; Rajen Kundu","Installation/Modulation of the Emission Response via Click Reaction","Journal of Organic Chemistry","2011","76","","3348","3356","10.1021/jo200231k","","","0.71073","MoKα","","0.0892","0.0438","","","0.0976","0.1167","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026261","5.709","0.0002","16.6315","0.0005","20.8904","0.0007","90","","95.408","0.002","90","","1974.7","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 -","- C26 H20 N4 -","- C104 H80 N16 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu","Installation/Modulation of the Emission Response via Click Reaction","Journal of Organic Chemistry","2011","76","","3348","3356","10.1021/jo200231k","","","0.71073","MoKα","","0.109","0.044","","","0.071","0.0767","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026262","22.3967","0.0009","4.798","0.0002","9.4977","0.0004","90","","90","","90","","1020.62","0.07","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H16 B N O4 -","- C8 H16 B N O4 -","- C32 H64 B4 N4 O16 -","4","1","","Jing Sun; Michael T. Perfetti; Webster L. Santos","A Method for the Deprotection of Alkylpinacolyl Boronate Esters","Journal of Organic Chemistry","2011","76","","3571","3575","10.1021/jo200250y","","x-ray","0.71073","MoKα","","0.0481","0.0368","","","0.0767","0.0792","","","","","","1.025","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026263","7.9575","0.0004","12.5868","0.001","16.0983","0.001","90","","90","","90","","1612.4","0.18","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,7R)-5,6-dehydro-de-O-methyl-centrolobine","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Bernd Schmidt; Frank Hölter; Alexandra Kelling; Uwe Schilde","Pd-Catalyzed Arylation Reactions with Phenol Diazonium Salts: Application in the Synthesis of Diarylheptanoids","Journal of Organic Chemistry","2011","76","","3357","3365","10.1021/jo2002787","","","0.71073","MoKα","","0.0449","0.0358","","","0.0898","0.0925","","","","","","1.009","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026264","8.7826","0.0007","11.0357","0.0009","20.1586","0.0016","76.027","0.001","79.932","0.001","78.409","0.001","1840.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N -","- C26 H21 N -","- C104 H84 N4 -","4","2","","Trisha L. Andrew; Timothy M. Swager","Detection of Explosives via Photolytic Cleavage of Nitroesters and Nitramines","Journal of Organic Chemistry","2011","76","","2976","2993","10.1021/jo200280c","","","0.71073","MoKα","","0.0644","0.0493","","","0.1188","0.1294","","","","","","1.068","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026265","13.8401","0.0008","14.0384","0.0009","22.6045","0.0017","90","","90","","90","","4391.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H64 N8 O4 -","- C42 H64 N8 O4 -","- C168 H256 N32 O16 -","4","1","","Andrea Gualandi; Lucia Cerisoli; Helen Stoeckli-Evans; Diego Savoia","Pyrrole Macrocyclic Ligands for Cu-Catalyzed Asymmetric Henry Reactions","Journal of Organic Chemistry","2011","76","","3399","3408","10.1021/jo200318b","","","0.71073","MoKα","","0.1093","0.071","","","0.1681","0.1827","","","","","","1.033","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026266","27.0758","0.0004","27.0758","0.0004","26.8021","0.0005","90","","90","","120","","17016.2","0.5","173","2","173","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C61.33 H91 Cu2 N15.67 O8 -","- C46 H68 Cu2 N8 O8 -","- C414 H612 Cu18 N72 O72 -","9","0.5","","Andrea Gualandi; Lucia Cerisoli; Helen Stoeckli-Evans; Diego Savoia","Pyrrole Macrocyclic Ligands for Cu-Catalyzed Asymmetric Henry Reactions","Journal of Organic Chemistry","2011","76","","3399","3408","10.1021/jo200318b","","","0.71073","MoKα","","0.0407","0.0343","","","0.0747","0.0767","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026267","9.8346","0.0005","11.6403","0.0004","11.3098","0.0005","90","","112.693","0.002","90","","1194.49","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Br N O6 -","- C10 H14 Br N O6 -","- C40 H56 Br4 N4 O24 -","4","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Ring-Rearrangement Metathesis of 1-Substituted 7-Azanorbornenes as an Entry to 1-Azaspiro[4.5]decane systems","Journal of Organic Chemistry","2011","76","","3381","3391","10.1021/jo200321t","","","0.71073","MoKα","","0.0338","0.0271","","","0.0648","0.0679","","","","","","1.039","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026268","8.5097","0.0007","10.9602","0.0005","12.5243","0.001","113.583","0.004","96.151","0.003","102.378","0.005","1021.1","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 F3 N O8 -","- C18 H22 F3 N O8 -","- C36 H44 F6 N2 O16 -","2","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Ring-Rearrangement Metathesis of 1-Substituted 7-Azanorbornenes as an Entry to 1-Azaspiro[4.5]decane systems","Journal of Organic Chemistry","2011","76","","3381","3391","10.1021/jo200321t","","","0.71073","MoKα","","0.0982","0.0536","","","0.1067","0.1251","","","","","","1.026","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026269","9.9089","0.0004","16.8338","0.0007","17.9452","0.0007","90","","90","","90","","2993.3","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C120 H176 N16 O24 -","8","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Ring-Rearrangement Metathesis of 1-Substituted 7-Azanorbornenes as an Entry to 1-Azaspiro[4.5]decane systems","Journal of Organic Chemistry","2011","76","","3381","3391","10.1021/jo200321t","","","0.71073","MoKα","","0.1032","0.0537","","","0.1243","0.1508","","","","","","1.018","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026270","7.3168","0.0012","14.561","0.002","15.378","0.003","88.274","0.013","79.914","0.014","80.603","0.014","1591.4","0.5","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H48 O4 -","- C37 H48 O4 -","- C74 H96 O8 -","2","1","","Andrew J. Tilley; Stephen M. Danczak; Christine Browne; Timothy Young; Tina Tan; Kenneth P. Ghiggino; Trevor A. Smith; Jonathan White","Synthesis and Fluorescence Characterization of MEHPPV Oligomers","Journal of Organic Chemistry","2011","76","","3372","3380","10.1021/jo200336m","","","1.5418","CuKα","","0.1811","0.0615","","","0.1396","0.1696","","","","","","0.672","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026271","10.6042","0.0015","11.3172","0.0018","13.244","0.002","90.326","0.008","102.534","0.009","91.518","0.011","1550.9","0.4","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H37 N3 O5 S -","- C34 H37 N3 O5 S -","- C68 H74 N6 O10 S2 -","2","2","","Peng Chen; Jin Qu","Backbone Modification of β-Hairpin-Forming Tetrapeptides in Asymmetric Acyl Transfer Reactions","Journal of Organic Chemistry","2011","76","","2994","3004","10.1021/jo200403g","","","0.71075","MoKα","","0.0778","0.0695","","","0.2177","0.2218","","","","","","1.08","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026272","8.0786","0.0002","8.0786","0.0002","48.3211","0.0009","90","","90","","90","","3153.62","0.13","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","[2R,(S)S]-2-Methyl-3-oxo-2-[2-(p-tolylsulfinyl)phenyl]butanenitrile","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C144 H136 N8 O16 S8 -","8","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Asymmetric Synthesis of Benzylic Quaternary Difunctionalized Carbons Mediated by a Remote Sulfinyl Group","Journal of Organic Chemistry","2011","76","","3597","3603","10.1021/jo2004204","","","1.54178","CuKα","","0.0365","0.0326","","","0.0804","0.0823","","","","","","1.054","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026273","13.7711","0.0004","11.8146","0.0004","13.9067","0.0004","90","","105.365","0.001","90","","2181.75","0.12","123.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H21 B F2 I N3 O3 -","- C21 H8 B F2 I N3 O3 -","- C84 H32 B4 F8 I4 N12 O12 -","4","2","","Takuya Matsumoto; Yasuteru Urano; Yoshinori Takahashi; Yusuke Mori; Takuya Terai; Tetsuo Nagano","In Situ Evaluation of Kinetic Resolution Catalysts for Nitroaldol by Rationally Designed Fluorescence Probe","Journal of Organic Chemistry","2011","76","","3616","3625","10.1021/jo1020344","","","0.7107","MoKα","","","0.0513","","","","0.1686","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026274","8.3742","0.0002","12.4885","0.0002","27.9806","0.0007","90","","90","","90","","2926.24","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C128 H208 O24 -","8","2","","Mark V. Riofski; Jinu P. John; Mary M. Zheng; Julia Kirshner; David A. Colby","Exploiting the Facile Release of Trifluoroacetate for the α-Methylenation of the Sterically Hindered Carbonyl Groups on (+)-Sclareolide and (-)-Eburnamonine","Journal of Organic Chemistry","2011","76","","3676","3683","10.1021/jo102114f","","","1.54184","CU-Kα","","0.047","0.033","","","0.074","0.085","","","","","","1.122","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026275","8.2499","0.0009","8.2499","0.0009","42.596","0.01","90","","90","","90","","2899.1","0.8","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C128 H200 N8 O16 -","8","2","","Yu-Rong Yang; Liang Shen; Jiu-Zhong Huang; Tao Xu; Kun Wei","Application of the Helquist Annulation in Lycopodium Alkaloid Synthesis: Unified Total Syntheses of (-)-8-Deoxyserratinine, (+)-Fawcettimine, and (+)-Lycoflexine","Journal of Organic Chemistry","2011","76","","3684","3690","10.1021/jo1023188","","","0.71073","MoKα","","0.2421","0.0703","","","0.1091","0.1577","","","","","","0.914","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026276","7.817","0.006","8.455","0.007","33.54","0.03","90","","90","","90","","2217","3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 N O5 -","- C21 H35 N O5 -","- C84 H140 N4 O20 -","4","1","","Yu-Rong Yang; Liang Shen; Jiu-Zhong Huang; Tao Xu; Kun Wei","Application of the Helquist Annulation in Lycopodium Alkaloid Synthesis: Unified Total Syntheses of (-)-8-Deoxyserratinine, (+)-Fawcettimine, and (+)-Lycoflexine","Journal of Organic Chemistry","2011","76","","3684","3690","10.1021/jo1023188","","","0.71073","MoKα","","0.2221","0.0891","","","0.2026","0.279","","","","","","0.963","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026277","14.545","0.003","14.937","0.003","19.953","0.005","108.353","0.008","99.477","0.01","91.92","0.008","4041.4","1.6","110","0.5","110","0.5","","","","","","","local laboratory","5","P -1","-P 1","2","","","","- C53.25 H47.25 Cl0.75 Cu N4 -","- C53 H47 Cl0.75 Cu N4 -","- C212 H188 Cl3 Cu4 N16 -","4","2","","Giuseppe Pomarico; Sara Nardis; Roberto Paolesse; Owendi C. Ongayi; Brandy H. Courtney; Frank R. Fronczek; Maria Graça H. Vicente","Synthetic Routes to 5,10,15-Triaryl-tetrabenzocorroles","Journal of Organic Chemistry","2011","76","","3765","3773","10.1021/jo200026u","","","0.71073","MoKα","","0.1401","0.07","","","0.1381","0.1624","","","","","","1.02","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026278","35.073","0.013","18.943","0.009","23.102","0.011","90","","130.67","0.02","90","","11642","10","110","0.5","110","0.5","","","","","","","local laboratory","5","C 1 2/c 1","-C 2yc","15","","","","- C53.47 H31.47 Cl1.4 Cu N4 -","- C53.4667 H31.4667 Cl1.4 Cu N4 -","- C641.6 H377.6 Cl16.8 Cu12 N48 -","12","1.5","","Giuseppe Pomarico; Sara Nardis; Roberto Paolesse; Owendi C. Ongayi; Brandy H. Courtney; Frank R. Fronczek; Maria Graça H. Vicente","Synthetic Routes to 5,10,15-Triaryl-tetrabenzocorroles","Journal of Organic Chemistry","2011","76","","3765","3773","10.1021/jo200026u","","","0.71073","MoKα","","0.3463","0.1339","","","0.2609","0.3433","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026279","11.9578","0.0007","13.0892","0.0006","15.4144","0.0008","68.471","0.004","68.114","0.004","75.445","0.004","2064.1","0.2","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C57 H29 Cu N7 -","- C57 H29 Cu N7 -","- C114 H58 Cu2 N14 -","2","1","","Giuseppe Pomarico; Sara Nardis; Roberto Paolesse; Owendi C. Ongayi; Brandy H. Courtney; Frank R. Fronczek; Maria Graça H. Vicente","Synthetic Routes to 5,10,15-Triaryl-tetrabenzocorroles","Journal of Organic Chemistry","2011","76","","3765","3773","10.1021/jo200026u","","","1.54178","CuKα","","0.121","0.0937","","","0.2665","0.2895","","","","","","1.074","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026280","6.7062","0.0004","23.8749","0.0015","42.484","0.003","90","","90","","90","","6802.1","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H16 B F2 N3 O -","- C20 H15.837 B F2 N3 O1.003 -","- C320 H253.392 B16 F32 N48 O16.048 -","16","2","","Yuting Chen; Hailong Wang; Liang Wan; Yongzhong Bian; Jianzhuang Jiang","8-Hydroxyquinoline-Substituted Boron-Dipyrromethene Compounds: Synthesis, Structure, and OFF-ON-OFF Type of pH-Sensing Properties","Journal of Organic Chemistry","2011","76","","3774","3781","10.1021/jo200050a","","","0.71073","MoKα","","0.1176","0.1048","","","0.2163","0.2227","","","","","","1.179","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026281","8.8527","0.0012","10.5888","0.0015","11.3977","0.0016","90.588","0.002","106.949","0.002","109.116","0.002","959","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 B F2 N3 O -","- C22 H20 B F2 N3 O -","- C44 H40 B2 F4 N6 O2 -","2","1","","Yuting Chen; Hailong Wang; Liang Wan; Yongzhong Bian; Jianzhuang Jiang","8-Hydroxyquinoline-Substituted Boron-Dipyrromethene Compounds: Synthesis, Structure, and OFF-ON-OFF Type of pH-Sensing Properties","Journal of Organic Chemistry","2011","76","","3774","3781","10.1021/jo200050a","","","0.71073","MoKα","","0.0667","0.0567","","","0.1689","0.1822","","","","","","1.037","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026282","13.1526","0.0004","15.4333","0.0005","38.6669","0.0011","90","","90","","90","","7848.9","0.4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 O S2 -","- C20 H21 N3 O S2 -","- C320 H336 N48 O16 S32 -","16","2","","Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel","Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles","Journal of Organic Chemistry","2011","76","","4082","4087","10.1021/jo200088s","","","0.71073","MoKα","","0.0918","0.0744","","","0.1633","0.1708","","","","","","1.19","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026283","9.7936","0.0009","11.1535","0.0009","14.1712","0.0012","110.199","0.004","95.882","0.004","108.694","0.004","1336","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N5 O S2 -","- C27 H35 N5 O S2 -","- C54 H70 N10 O2 S4 -","2","1","","Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel","Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles","Journal of Organic Chemistry","2011","76","","4082","4087","10.1021/jo200088s","","","0.71073","MoKα","","0.0428","0.0359","","","0.0988","0.1033","","","","","","1.033","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026284","7.0373","0.0003","14.292","0.0007","14.6826","0.0008","90","","93.502","0.003","90","","1473.98","0.13","114","2","114","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 O S -","- C17 H15 N3 O S -","- C68 H60 N12 O4 S4 -","4","1","","Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel","Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles","Journal of Organic Chemistry","2011","76","","4082","4087","10.1021/jo200088s","","","0.71073","MoKα","","0.0906","0.0466","","","0.1052","0.1182","","","","","","0.735","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026285","10.025","0.0001","6.6166","0.0001","15.4445","0.0002","90","","90.983","0.001","90","","1024.3","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br2 N3 O -","- C23 H19 Br2 N3 O -","- C46 H38 Br4 N6 O2 -","2","1","","Zhi-Peng Hu; Chun-Liang Lou; Jin-Jia Wang; Chun-Xia Chen; Ming Yan","Organocatalytic Conjugate Addition of Malononitrile to Conformationally Restricted Dienones","Journal of Organic Chemistry","2011","76","","3797","3804","10.1021/jo200112r","","","1.54178","CuKα","","0.0203","0.0197","","","0.0538","0.0541","","","","","","1.034","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026286","6.7895","0.0006","11.8108","0.001","17.2811","0.0014","90.006","0.002","90.002","0.002","90","0.002","1385.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","5-syn-hydroxyMetpyr","N-t-butoxycarbonyl-5-syn-hydroxy-2-azabicyclo[2.1.1]hexane","","- C7 H11 N O2 -","- C7 H11 N O2 -","- C56 H88 N8 O16 -","8","4","","Grant R. Krow; Ram Edupuganti; Deepa Gandla; Fang Yu; Matthew Sender; Philip E. Sonnet; Michael J. Zdilla; Charles DeBrosse; Kevin C. Cannon; Charles W. Ross; Amit Choudhary; Matthew D. Shoulders; Ronald T. Raines","Synthesis of Conformationally Constrained 5-Fluoro- and 5-Hydroxymethanopyrrolidines. Ring-Puckered Mimics of Gauche- and Anti-3-Fluoro- and 3-Hydroxypyrrolidines","Journal of Organic Chemistry","2011","76","","3626","3634","10.1021/jo200117p","","","0.71073","MoKα","","0.0739","0.0539","","","0.1431","0.1612","","","","","","1.032","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026287","10.4022","0.0015","11.7258","0.0017","11.7923","0.0017","82.894","0.003","70.861","0.003","86.657","0.003","1348.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 F3 N O3 -","- C26 H40 F3 N O3 -","- C52 H80 F6 N2 O6 -","2","1","","Punidha Sokkalingam; Chang-Hee Lee","Highly Sensitive Fluorescence ""Turn-On"" Indicator for Fluoride Anion with Remarkable Selectivity in Organic and Aqueous Media","Journal of Organic Chemistry","2011","76","","3820","3828","10.1021/jo200138t","","","0.71073","MoKα","","0.1602","0.0581","","","0.1504","0.187","","","","","","0.842","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026288","6.2624","0.0007","14.4474","0.0016","8.0465","0.0009","90","","107.326","0.001","90","","694.98","0.13","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 I N O3 -","- C5 H6 I N O3 -","- C20 H24 I4 N4 O12 -","4","1","","Akira Yoshimura; Christopher T. Banek; Mekhman S. Yusubov; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents","Journal of Organic Chemistry","2011","76","","3812","3819","10.1021/jo200163m","","","0.71073","MoKα","","0.0168","0.0148","","0.0344","0.0337","0.0329","","","","","","1.0552","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026289","9.1841","0.0003","10.313","0.0005","12.2949","0.0008","82.634","0.006","85.041","0.006","82.063","0.006","1141.04","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 I N O5 -","- C8 H14 I N O5 -","- C32 H56 I4 N4 O20 -","4","2","","Akira Yoshimura; Christopher T. Banek; Mekhman S. Yusubov; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents","Journal of Organic Chemistry","2011","76","","3812","3819","10.1021/jo200163m","","","0.71075","MoKα","","0.0573","0.0432","","0.1031","0.0926","0.1031","","","","","","0.9781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026290","6.5726","0.0001","12.6845","0.0002","11.8472","0.0008","90","","97.126","0.007","90","","980.07","0.07","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 I N O3 -","- C8 H10 I N O3 -","- C32 H40 I4 N4 O12 -","4","1","","Akira Yoshimura; Christopher T. Banek; Mekhman S. Yusubov; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents","Journal of Organic Chemistry","2011","76","","3812","3819","10.1021/jo200163m","","","0.71075","MoKα","","0.0166","0.0145","","0.0353","0.0346","0.0353","","","","","","1.0008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026291","6.8438","0.0003","6.9463","0.0003","12.6905","0.0007","90","","92.924","0.005","90","","602.51","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C26 H38 N2 O6 -","2","1","","Alexis Kotland; Fabien Accadbled; Koen Robeyns; Jean-Bernard Behr","Synthesis and Fucosidase Inhibitory Study of Unnatural Pyrrolidine Alkaloid 4-epi-(+)-Codonopsinine","Journal of Organic Chemistry","2011","76","","4094","4098","10.1021/jo200176u","","","0.71073","MoKα","","0.0461","0.0458","","","0.1157","0.1159","","","","","","1.231","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026292","26.598","0.002","5.0807","0.0007","20.974","0.0018","90","","111.055","0.013","90","","2645.1","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C120 H112 O40 -","8","2","","Tao Liu; Youming Wang; Guiping Wu; Haibin Song; Zhenghong Zhou; Chuchi Tang","Organocatalyzed Enantioselective Michael Addition of 2-Hydroxy-1,4-naphthoquinone to β,γ-Unsaturated α-Ketophosphonates","Journal of Organic Chemistry","2011","76","","4119","4124","10.1021/jo2002825","","","1.54187","CuKα","","0.058","0.0547","","","0.1394","0.1458","","","","","","1.025","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026293","14.9487","0.0004","16.4549","0.0004","11.023","0.0002","90","","96.8176","","90","","2692.26","0.11","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 S -","- C16 H11 N3 S -","- C128 H88 N24 S8 -","8","2","","Takenori Mitamura; Kimiyo Iwata; Akiya Ogawa","Photoinduced Intramolecular Cyclization of o-Ethenylaryl Isocyanides with Organic Disulfides Mediated by Diphenyl Ditelluride","Journal of Organic Chemistry","2011","76","","3880","3887","10.1021/jo200299d","","","0.71075","MoKα","","","0.0386","","","","0.1013","","","","","","1.08","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026294","10.883","0.0005","8.5647","0.0004","14.0767","0.0006","90","","101.686","0.0013","90","","1284.89","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C60 H48 N8 S4 -","4","1","","Takenori Mitamura; Kimiyo Iwata; Akiya Ogawa","Photoinduced Intramolecular Cyclization of o-Ethenylaryl Isocyanides with Organic Disulfides Mediated by Diphenyl Ditelluride","Journal of Organic Chemistry","2011","76","","3880","3887","10.1021/jo200299d","","","0.71075","MoKα","","","0.0281","","","","0.0706","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026295","11.7955","0.0017","11.7955","0.0017","28.477","0.004","90","","90","","90","","3962.1","1","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","2","","Marwan W. Ghosn; Christian Wolf","Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes","Journal of Organic Chemistry","2011","76","","3888","3897","10.1021/jo200309g","","","0.71073","MoKα","","0.0921","0.0511","","","0.1041","0.1144","","","","","","1.013","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026296","22.34","0.002","6.8469","0.0006","17.6753","0.0016","90","","100.956","0.001","90","","2654.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 O4 -","- C32 H34 N2 O4 -","- C128 H136 N8 O16 -","4","1","","Marwan W. Ghosn; Christian Wolf","Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes","Journal of Organic Chemistry","2011","76","","3888","3897","10.1021/jo200309g","","","0.71073","MoKα","","0.1284","0.0987","","","0.2619","0.2788","","","","","","1.043","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026297","10.847","0.004","21.365","0.009","13.644","0.006","90","","90","","90","","3162","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H42 N2 O4 -","- C36 H42 N2 O4 -","- C144 H168 N8 O16 -","4","2","","Marwan W. Ghosn; Christian Wolf","Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes","Journal of Organic Chemistry","2011","76","","3888","3897","10.1021/jo200309g","","","0.71073","MoKα","","0.0792","0.0756","","","0.1649","0.1665","","","","","","1.138","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026298","9.8528","0.0003","10.1429","0.0003","10.9377","0.0003","86.801","0.001","83.17","0.001","69.752","0.001","1018.12","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","rearranged PDIPA diboron","","","- C16 H32 B2 K N O5 -","- C16 H32 B2 K N O5 -","- C32 H64 B4 K2 N2 O10 -","2","1","","Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos","Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds","Journal of Organic Chemistry","2011","76","","3997","4007","10.1021/jo2003488","","","0.71073","MoKα","","0.044","0.0378","","","0.0988","0.103","","","","","","1.025","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026299","9.5436","0.0002","11.7206","0.0003","13.6397","0.0003","90","","90","","90","","1525.69","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R,R)-PDIPA diboron","","","- C12 H25 B2 N O4 -","- C12 H25 B2 N O4 -","- C48 H100 B8 N4 O16 -","4","1","","Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos","Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds","Journal of Organic Chemistry","2011","76","","3997","4007","10.1021/jo2003488","","x-ray","1.54178","CuKα","","0.0386","0.0365","","","0.0973","0.0994","","","","","","1.089","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026300","9.5091","0.0003","11.82","0.0003","13.6947","0.0004","90","","90","","90","","1539.25","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pinacolato diisopropanolaminato diboron","","","- C12 H25 B2 N O4 -","- C12 H25 B2 N O4 -","- C48 H100 B8 N4 O16 -","4","1","","Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos","Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds","Journal of Organic Chemistry","2011","76","","3997","4007","10.1021/jo2003488","","","0.71073","MoKα","","0.0571","0.0495","","","0.134","0.1433","","","","","","1.056","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026301","11.509","0.002","5.4181","0.0011","19.681","0.004","90","","99.37","0.003","90","","1210.9","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","David F. Finnegan; Marc L. Snapper","Formation of Polycyclic Lactones through a Ruthenium-Catalyzed Ring-Closing Metathesis/Hetero-Pauson-Khand Reaction Sequence","Journal of Organic Chemistry","2011","76","","3644","3653","10.1021/jo200359c","","","0.71073","MoKα","","0.075","0.054","","","0.128","0.1378","","","","","","1.086","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026302","5.2082","0.0005","24.327","0.002","10.8755","0.001","90","","103.476","0.002","90","","1340","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","David F. Finnegan; Marc L. Snapper","Formation of Polycyclic Lactones through a Ruthenium-Catalyzed Ring-Closing Metathesis/Hetero-Pauson-Khand Reaction Sequence","Journal of Organic Chemistry","2011","76","","3644","3653","10.1021/jo200359c","","","0.71073","MoKα","","0.0481","0.0444","","","0.1113","0.1138","","","","","","1.082","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026303","8.5306","0.0014","16.65","0.003","10.7514","0.0017","90","","107.421","0.003","90","","1457","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","David F. Finnegan; Marc L. Snapper","Formation of Polycyclic Lactones through a Ruthenium-Catalyzed Ring-Closing Metathesis/Hetero-Pauson-Khand Reaction Sequence","Journal of Organic Chemistry","2011","76","","3644","3653","10.1021/jo200359c","","","0.71073","MoKα","","0.07","0.0525","","","0.1174","0.1257","","","","","","0.956","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026304","10.9066","0.0015","8.1505","0.0011","12.412","0.0018","90","","113.038","0.007","90","","1015.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 Br O3 -","- C9 H13 Br O3 -","- C36 H52 Br4 O12 -","4","2","","Jun-Tao Zhang; Xian-Liang Qi; Jie Chen; Bao-Sheng Li; You-Bai Zhou; Xiao-Ping Cao","Total Synthesis of Malyngamides K, L, and 5''-epi-C and Absolute Configuration of Malyngamide L","Journal of Organic Chemistry","2011","76","","3946","3959","10.1021/jo2003852","","","0.71073","MoKα","","0.0683","0.0406","","","0.072","0.0811","","","","","","0.954","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026305","10.913","0.008","8.164","0.006","12.409","0.009","90","","112.943","0.009","90","","1018.1","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 Br O3 -","- C9 H13 Br O3 -","- C36 H52 Br4 O12 -","4","2","","Jun-Tao Zhang; Xian-Liang Qi; Jie Chen; Bao-Sheng Li; You-Bai Zhou; Xiao-Ping Cao","Total Synthesis of Malyngamides K, L, and 5''-epi-C and Absolute Configuration of Malyngamide L","Journal of Organic Chemistry","2011","76","","3946","3959","10.1021/jo2003852","","","0.71073","MoKα","","0.098","0.0547","","","0.1189","0.1362","","","","","","0.943","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026306","6.961","","8.318","","18.806","","90","","90","","90","","1088.9","","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C48 H36 Br4 O12 -","4","1","","Chih-Wei Chang; Rong-Jie Chein","Absolute Configuration of Anti-HIV-1 Agent (-)-Concentricolide: Total Synthesis of (+)-(R)-Concentricolide","Journal of Organic Chemistry","2011","76","","4154","4157","10.1021/jo2004132","","","0.71073","MoKα","","0.0455","0.0313","","","0.058","0.0625","","","","","","1.038","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026307","9.4716","0.0011","8.2895","0.0008","12.6979","0.0016","90","","99.295","0.012","90","","983.9","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C48 H40 O12 -","2","0.5","","Chih-Wei Chang; Rong-Jie Chein","Absolute Configuration of Anti-HIV-1 Agent (-)-Concentricolide: Total Synthesis of (+)-(R)-Concentricolide","Journal of Organic Chemistry","2011","76","","4154","4157","10.1021/jo2004132","","","0.71073","MoKα","","0.1452","0.0668","","","0.1434","0.1831","","","","","","1.045","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026308","8.1547","0.0002","22.8614","0.0004","24.6075","0.0004","90","","90","","90","","4587.52","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br F3 N2 O2 -","- C24 H22 Br F3 N2 O2 -","- C192 H176 Br8 F24 N16 O16 -","8","2","","Partha Ghosh; Jeffrey Aubé","Resolution of Carboxylic Acids Using Copper(I)-Promoted Removal of Propargylic Esters under Neutral Conditions","Journal of Organic Chemistry","2011","76","","4168","4172","10.1021/jo200433w","","","1.54178","CuKα","","0.0463","0.0449","","","0.1248","0.1258","","","","","","1.045","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026309","6.7056","0.0011","15.7761","0.001","8.0956","0.0008","90","","97.03","0.012","90","","849.98","0.17","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O4 S -","- C17 H17 N3 O4 S -","- C34 H34 N6 O8 S2 -","2","1","","Xiong-Li Liu; Zhi-Jun Wu; Xi-Lin Du; Xiao-Mei Zhang; Wei-Cheng Yuan","Amino-Indanol-Catalyzed Asymmetric Michael Additions of Oxindoles to Protected 2-Amino-1-nitroethenes for the Synthesis of 3,3'-Disubstituted Oxindoles Bearing α,β-Diamino Functionality","Journal of Organic Chemistry","2011","76","","4008","4017","10.1021/jo2004378","","","0.71073","MoKα","","0.0303","0.0296","","","0.0712","0.0717","","","","","","1.051","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026310","7.7506","0.001","14.8393","0.0019","14.9278","0.0019","90","","92.947","0.002","90","","1714.6","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O22 -","- C29 H44 O22 -","- C58 H88 O44 -","2","1","","Yali Li; Jiansong Sun; Yanqing Gong; Biao Yu","Synthesis of Oligomeric 4-(Glycosyloxy)benzoate Macrocyclic Glycosides","Journal of Organic Chemistry","2011","76","","3654","3663","10.1021/jo200440r","","","0.71073","MoKα","","0.0648","0.051","","","0.1254","0.1364","","","","","","1.065","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4026311","7.6466","0.0006","11.7186","0.0009","16.8849","0.0015","90","","90","","90","","1513","0.2","200","2","200","2","","","","","","","","3","P b c 21","P 2c -2b","29","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0639","0.0555","","","0.1485","0.1584","","","","","","1.002","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026312","8.86","0.0001","17.561","0.0003","11.854","0.0002","90","","96.58","0.001","90","","1832.22","0.05","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0722","0.0547","","","0.1413","0.1592","","","","","","1.079","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026313","7.8754","0.0002","7.983","0.0002","14.3221","0.0004","92.42","0.002","91.209","0.002","96.622","0.001","893.31","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0494","0.0428","","","0.1209","0.1258","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026314","8.4592","0.0003","11.0674","0.0004","11.6506","0.0004","92.842","0.002","108.109","0.003","111.504","0.002","947.92","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0625","0.044","","","0.118","0.1314","","","","","","1.039","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026315","9.281","0.0003","10.1866","0.0004","11.8471","0.0004","65.299","0.002","87.753","0.002","68.65","0.002","939.25","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0699","0.0476","","","0.1372","0.1605","","","","","","1.041","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026316","8.5409","0.0005","9.9028","0.0007","12.1158","0.0009","65.82","0.005","89.73","0.004","73.515","0.003","889.09","0.11","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.1474","0.0832","","","0.1996","0.2468","","","","","","1.034","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026317","7.457","0.0004","9.906","0.0006","19.228","0.0009","90","","90","","90","","1420.35","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0712","0.0497","","","0.1122","0.1224","","","","","","1.047","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026318","7.575","0.0001","7.573","0.0001","45.441","0.001","90","","90","","90","","2606.74","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br N3 O4 -","- C10 H14 Br N3 O4 -","- C80 H112 Br8 N24 O32 -","8","2","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0831","0.0505","","","0.0752","0.0873","","","","","","1.071","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026319","9.429","0.0005","10.488","0.0005","14.172","0.0008","90","","108.53","0.003","90","","1328.83","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","2","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0802","0.0514","","","0.1383","0.1643","","","","","","0.878","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026320","13.2247","0.0016","8.406","0.0009","17.517","0.003","90","","106.67","0.015","90","","1865.5","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O5 S -","- C18 H16 N2 O5 S -","- C72 H64 N8 O20 S4 -","4","1","","Yin-Huan Jin; Fan Fang; Xiang Zhang; Qing-Zhou Liu; Hao-Bo Wang; Shi-Kai Tian","Four-Component Reaction of N-Sulfonylimines, (Cyanomethylene)triphenylphosphorane, Nitromethane, and Formaldehyde for the Synthesis of 3-Substituted 2-Methylene-4-nitrobutanenitriles","Journal of Organic Chemistry","2011","76","","4163","4167","10.1021/jo200483n","","","1.54184","CuKα","","0.0952","0.0798","","","0.1376","0.1446","","","","","","1.057","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026321","10.922","0.008","20.395","0.014","25.136","0.017","68.929","0.008","81.221","0.009","81.589","0.009","5138","6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H116 B4 F8 N10 -","- C102 H88 B4 F8 N10 -","- C204 H176 B8 F16 N20 -","2","1","","Daniel T. Chase; Brian S. Young; Michael M. Haley","Incorporating BODIPY Fluorophores into Tetrakis(arylethynyl)benzenes","Journal of Organic Chemistry","2011","76","","4043","4051","10.1021/jo200491m","","","0.71073","MoKα","","0.2196","0.0909","","","0.1953","0.2193","","","","","","1.008","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026322","16.683","0.018","3.89","0.004","17.188","0.019","90","0.002","115.15","0.003","90","0.002","1009.7","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","BTT-dimer","BTT-dimer","","- C24 H10 S6 -","- C24 H10 S6 -","- C48 H20 S12 -","2","0.5","","Tomoya Kashiki; Masahiro Kohara; Itaru Osaka; Eigo Miyazaki; Kazuo Takimiya","Synthesis and Characterization of Benzo[1,2-b:3,4-b':5,6-b'']trithiophene (BTT) Oligomers","Journal of Organic Chemistry","2011","76","","4061","4070","10.1021/jo2005044","","","0.7107","MoKα","","0.0966","0.0536","","","0.1207","0.1393","","","","","","0.869","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026323","10.255","0.005","15.864","0.007","17.626","0.008","66.049","0.012","84.591","0.015","89.059","0.016","2608","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","C8BTT-dimer","C8BTT-dimer","","- C56 H74 S6 -","- C56 H74 S6 -","- C112 H148 S12 -","2","1","","Tomoya Kashiki; Masahiro Kohara; Itaru Osaka; Eigo Miyazaki; Kazuo Takimiya","Synthesis and Characterization of Benzo[1,2-b:3,4-b':5,6-b'']trithiophene (BTT) Oligomers","Journal of Organic Chemistry","2011","76","","4061","4070","10.1021/jo2005044","","","0.7107","MoKα","","0.1029","0.0622","","","0.1781","0.2286","","","","","","0.749","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026324","13.2634","0.0008","9.4146","0.0006","16.7765","0.001","90","","108.687","0.001","90","","1984.4","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Vincent Gembus; Svetlana Postikova; Vincent Levacher; Jean-François Brière","Highly Regio- and Diastereoselective Anionic [3 + 2] Cycloaddition under Phase Transfer Catalytic Conditions","Journal of Organic Chemistry","2011","76","","4194","4199","10.1021/jo2005268","","x-ray","0.71073","MoKα","","0.0504","0.0418","","","0.1078","0.1138","","","","","","1.027","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026325","9.176","0.004","10.586","0.004","13.057","0.005","89.374","0.006","89.611","0.006","68.186","0.006","1177.4","0.8","293","1","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H58 Br2 O6 -","- C48 H58 Br2 O6 -","- C48 H58 Br2 O6 -","1","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0948","0.0583","","","0.1505","0.1618","","","","","","0.905","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026326","8.784","0.0012","10.474","0.0014","14.2802","0.0019","73.776","0.002","79.225","0.002","69.132","0.002","1173.1","0.3","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H64 O8 -","- C50 H64 O8 -","- C50 H64 O8 -","1","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.067","0.0602","","","0.1714","0.1784","","","","","","1.051","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026327","13.4243","0.0008","19.5187","0.0012","19.3669","0.0012","90","","97.755","0.001","90","","5028.2","0.5","173","1","173","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 O8 -","- C54 H72 O8 -","- C216 H288 O32 -","4","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0647","0.057","","","0.1613","0.1673","","","","","","1.074","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026328","9.1686","0.0006","10.181","0.0007","15.1314","0.001","74.467","0.001","76.682","0.001","69.341","0.001","1258.81","0.15","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 F6 O8 -","- C52 H62 F6 O8.4 -","- C52 H62 F6 O8.4 -","1","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0494","0.0458","","","0.128","0.131","","","","","","1.072","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026329","9.9296","0.0011","20.074","0.002","28.271","0.003","90","","96.792","0.002","90","","5595.6","1","173","1","173","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H76 O6 -","- C64 H76 O6 -","- C256 H304 O24 -","4","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0817","0.0681","","","0.1557","0.1632","","","","","","1.146","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026330","12.9147","0.001","14.1631","0.0011","17.6459","0.0014","88.827","0.001","73.188","0.001","81.017","0.001","3050.8","0.4","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C67.3 H82.2 Cl3 O6.3 -","- C67.3 H82.2 Cl3 O6.3 -","- C134.6 H164.4 Cl6 O12.6 -","2","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0807","0.0707","","","0.1982","0.206","","","","","","1.042","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026331","14.9665","0.0013","13.1868","0.0011","31.015","0.003","90","","90.337","0.002","90","","6121","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H82 N2 O6 -","- C68 H82 N2 O6 -","- C272 H328 N8 O24 -","4","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.1348","0.0998","","","0.2155","0.2329","","","","","","1.063","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026332","19.1205","0.0012","33.057","0.002","19.4205","0.0012","90","","106.776","0.001","90","","11752.6","1.3","173","1","173","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C65.5 H78 Cl1.5 O6 -","- C65.5 H78 Cl1.5 O6 -","- C524 H624 Cl12 O48 -","8","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0966","0.0679","","","0.1783","0.1933","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026333","19.543","0.0008","14.7238","0.0006","23.4858","0.001","90","","105.396","0.001","90","","6515.5","0.5","173","1","173","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C78 H92 O6 -","- C78 H92 O6 -","- C312 H368 O24 -","4","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.1089","0.078","","","0.1738","0.1891","","","","","","1.05","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026334","11.0459","0.0003","22.6548","0.0005","12.0042","0.0003","90","","115.116","0.002","90","","2719.94","0.13","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H37 N O2 S Si -","- C25 H37 N O2 S Si -","- C100 H148 N4 O8 S4 Si4 -","4","2","","Bo Liu; Chong-Dao Lu","Asymmetric Synthesis of cis-2-Aminocyclopropanols by Intramolecular Mannich Addition of Silyloxy Benzyl Carbanions","Journal of Organic Chemistry","2011","76","","4205","4209","10.1021/jo200585r","","","0.71073","MoKα","","0.1393","0.0608","","","0.1128","0.1309","","","","","","0.999","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026335","12.988","0.003","12.188","0.002","23.837","0.005","90","","98.01","0.03","90","","3736.5","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 Cl3 I N3 O6 -","- C42 H35 Cl3 I N3 O6 -","- C168 H140 Cl12 I4 N12 O24 -","4","1","","Peipei Cui; Liang Xu; Zhangjie Shi; Liangbing Gan","Synthesis of Decahydropyrrolo[2,1,5-cd]indolizine through Consecutive [2 + 3] Cycloadditions and 6-Exo-Trig Cyclization","Journal of Organic Chemistry","2011","76","","4210","4212","10.1021/jo200601y","","","0.71073","MoKα","","0.0503","0.0482","","","0.1116","0.1131","","","","","","1.132","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026336","7.856","0.006","16.164","0.012","13.794","0.01","90","","94.326","0.009","90","","1747","2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 S2 -","- C22 H16 N2 S2 -","- C88 H64 N8 S8 -","4","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0489","0.0383","","","0.1092","0.1159","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026337","7.5444","0.0015","10.573","0.002","14.34","0.003","85","0.03","85.59","0.02","78.26","0.03","1113.6","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Br N2 O2 S2 -","- C24 H21 Br N2 O2 S2 -","- C48 H42 Br2 N4 O4 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1081","0.0865","","","0.2033","0.2189","","","","","","0.925","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026338","8.0338","0.0014","10.95","0.0019","14.898","0.003","94.525","0.002","99.489","0.001","103.592","0.002","1246.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 Br2 Cl3 N2 S2 -","- C23 H15 Br2 Cl3 N2 S2 -","- C46 H30 Br4 Cl6 N4 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0854","0.0526","","","0.138","0.1484","","","","","","0.927","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026339","11.0799","0.0012","11.4001","0.0012","14.4791","0.0015","87.593","0.002","71.357","0.001","62.879","0.002","1530.7","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H46 Cl6 N12 O S4 -","- C59 H46 Cl6 N12 O S4 -","- C59 H46 Cl6 N12 O S4 -","1","0.5","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1674","0.0768","","","0.1787","0.1981","","","","","","1.008","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026340","7.3376","0.0014","10.669","0.002","20.154","0.004","77.835","0.003","89.54","0.003","77.556","0.003","1504.9","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cl3 N4 S2 -","- C33 H23 Cl3 N4 S2 -","- C66 H46 Cl6 N8 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1506","0.0511","","","0.0753","0.0877","","","","","","0.835","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026341","8.4609","0.0019","11.516","0.003","13.513","0.003","87.678","0.003","86.804","0.002","87.208","0.003","1312.1","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 Cl3 N6 S2 -","- C27 H17 Cl3 N6 S2 -","- C54 H34 Cl6 N12 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0903","0.0677","","","0.2072","0.2275","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026342","8.163","0.008","11.131","0.011","11.562","0.011","88.605","0.014","77.241","0.016","78.707","0.015","1004.6","1.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F6 N4 P S -","- C20 H15 F6 N4 P S -","- C40 H30 F12 N8 P2 S2 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1013","0.0642","","","0.1702","0.2068","","","","","","1.08","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026343","14.1891","0.0013","14.4246","0.0014","17.759","0.0017","76.417","0.001","84.655","0.001","76.239","0.001","3429","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N4 O2 S -","- C19 H16 N4 O2 S -","- C152 H128 N32 O16 S8 -","8","4","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0968","0.0493","","","0.094","0.1099","","","","","","0.872","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026344","5.992","0.004","7.978","0.005","9.542","0.007","67.835","0.018","71.955","0.019","77.75","0.02","399.3","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 Br N2 S -","- C7 H5 Br N2 S -","- C14 H10 Br2 N4 S2 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0346","0.0308","","","0.075","0.0762","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026345","8.1135","0.0016","11.169","0.002","12.788","0.003","96.786","0.003","98.909","0.002","104.079","0.003","1095.7","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 Br2 Cl3 N4 S -","- C20 H11 Br2 Cl3 N4 S -","- C40 H22 Br4 Cl6 N8 S2 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1157","0.078","","","0.2041","0.2222","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026346","7.973","0.005","22.289","0.013","10.729","0.006","90","","101.187","0.008","90","","1870.4","1.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 S3 -","- C20 H16 N4 S3 -","- C80 H64 N16 S12 -","4","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0597","0.0393","","","0.0913","0.0999","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026347","6.9905","0.0016","10.659","0.003","13.335","0.003","90","","108.125","0.003","90","","944.3","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Br2 S4 -","- C18 H12 Br2 S4 -","- C36 H24 Br4 S8 -","2","0.5","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0596","0.0331","","","0.0612","0.0651","","","","","","0.874","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026348","11.211","0.005","7.868","0.003","16.06","0.007","90","","120.036","0.005","90","","1226.4","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 S4 -","- C28 H20 N2 S4 -","- C56 H40 N4 S8 -","2","0.5","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0601","0.035","","","0.0638","0.0697","","","","","","0.857","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026349","22.19","0.006","6.1816","0.0015","9.337","0.002","90","","91.448","0.004","90","","1280.3","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C8 H11 Cl F4 N2 O S -","- C8 H11 Cl F4 N2 O S -","- C32 H44 Cl4 F16 N8 O4 S4 -","4","1","","Li-Juan Liu; Ling-Jun Chen; Peng Li; Xiao-Bo Li; Jin-Tao Liu","Optically Pure Polyfluoroalkanesulfinamides: Synthesis and Application as Promising and Monitorable Chiral Auxiliaries","Journal of Organic Chemistry","2011","76","","4675","4681","10.1021/jo200119x","","","0.71073","MoKα","","0.0671","0.0574","","","0.1544","0.1739","","","","","","1.011","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026350","25.2","0.005","5.6924","0.0011","11.547","0.002","90","","106.213","0.003","90","","1590.5","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H10 Cl F4 N O3 S -","- C12 H10 Cl F4 N O3 S -","- C48 H40 Cl4 F16 N4 O12 S4 -","4","1","","Li-Juan Liu; Ling-Jun Chen; Peng Li; Xiao-Bo Li; Jin-Tao Liu","Optically Pure Polyfluoroalkanesulfinamides: Synthesis and Application as Promising and Monitorable Chiral Auxiliaries","Journal of Organic Chemistry","2011","76","","4675","4681","10.1021/jo200119x","","","0.71073","MoKα","","0.0913","0.0843","","","0.2141","0.225","","","","","","1.053","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026351","7.31","0.005","11.771","0.005","13.336","0.005","86.844","0.005","79.135","0.005","89.79","0.005","1125.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H19 B F2 N2 -","- C29 H19 B F2 N2 -","- C58 H38 B2 F4 N4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71069","MoKα","","0.0571","0.0396","","","0.1012","0.112","","","","","","1.019","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026352","12.2879","0.0007","13.5015","0.001","14.9489","0.0012","67.988","0.003","67.773","0.004","67.228","0.004","2039.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H41 B N2 O2 S2 -","- C49 H41 B N2 O2 S2 -","- C98 H82 B2 N4 O4 S4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.0668","0.0439","","","0.1043","0.117","","","","","","1.029","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026353","14.0948","0.001","20.313","0.0011","20.3589","0.0015","63.584","0.004","79.808","0.003","83.418","0.005","5133.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H90 B2 N4 O8 -","- C138 H90 B2 N4 O8 -","- C276 H180 B4 N8 O16 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.1245","0.0849","","","0.235","0.2768","","","","","","1.074","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026354","11.119","0.004","11.674","0.003","15.572","0.004","78.73","0.02","73.51","0.02","66.73","0.02","1772.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 B N2 -","- C47 H33 B N2 -","- C94 H66 B2 N4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.1017","0.0571","","","0.1438","0.1672","","","","","","1.036","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026355","11.0225","0.0006","12.7998","0.0007","17.1352","0.001","111.176","0.003","90.737","0.002","98.606","0.003","2223","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Bodipy-pyrene complex","","","- C52.5 H46 B Cl N2 O3 S2 -","- C51 H41 B N2 O2 S2 -","- C102 H82 B2 N4 O4 S4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.1057","0.0763","","","0.2284","0.2515","","","","","","1.102","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026356","11.602","0.003","22.532","0.005","13.602","0.004","90","","118.34","0.02","90","","3129.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 B N2 O2 S2 -","- C35 H37 B N2 O2 S2 -","- C140 H148 B4 N8 O8 S8 -","4","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.0648","0.0493","","","0.1354","0.1464","","","","","","1.044","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026357","11.294","0.004","13.299","0.003","14.735","0.004","101.78","0.02","110.03","0.02","102.17","0.02","1938.4","1.1","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H40.5 B N2.5 -","- C49 H33 B N2 -","- C98 H66 B2 N4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.0911","0.0649","","","0.1879","0.2","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026358","14.1009","0.0003","12.1784","0.0002","17.5284","0.0004","90","","90","","90","","3010.09","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Br N O -","- C16 H20 Br N O -","- C128 H160 Br8 N8 O8 -","8","1","","Andrew J. Clark; Dennis P. Curran; Joanna V. Geden; Natalie James; Paul Wilson","Bond Rotation Dynamics of Enamides: The Effect of the Acyl Group and Potential for Chirality Transfer during 5-Endo Trig Radical Cyclizations","Journal of Organic Chemistry","2011","76","","4546","4551","10.1021/jo200343z","","","0.71073","MoKα","","0.0606","0.0368","","","0.0909","0.0948","","","","","","1.038","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026359","33.679","0.003","33.679","0.003","13.0553","0.0014","90","","90","","120","","12824","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C29.17 H38.33 Cl0.33 N2 O3 -","- C29.1667 H38 Cl0.333333 N2 O3 -","- C525 H684 Cl6 N36 O54 -","18","1","","Sinan Wang; Lei Zhang; Xiao Ding; Yu Zhou; Jinfang Wang; Hualiang Jiang; Hong Liu","Synthesis of 2-Phenylnaphthalenes through Gold-Catalyzed Dimerization via a Highly Selective Carbon Nucleophile Pathway","Journal of Organic Chemistry","2011","76","","4514","4521","10.1021/jo200352j","","","0.71073","MoKα","","0.1283","0.0637","","","0.1811","0.2101","","","","","","0.837","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026360","14.2022","0.0011","14.2864","0.0009","11.7464","0.0011","90","","90","","90","","2383.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H0 N2 O -","- C14 H14 N2 O -","- C112 H112 N16 O8 -","8","2","","Ojas A. Namjoshi; Angelica Gryboski; German O. Fonseca; Michael L. Van Linn; Zhi-jian Wang; Jeffrey R. Deschamps; James M. Cook","Development of a Two-Step Route to 3-PBC and βCCt, Two Agents Active against Alcohol Self-Administration in Rodent and Primate Models","Journal of Organic Chemistry","2011","76","","4721","4727","10.1021/jo200425m","","","0.71073","MoKα","","0.0846","0.0527","","","0.1103","0.1255","","","","","","1.027","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026361","5.1335","0.0014","10.319","0.003","10.983","0.003","75.541","0.009","84.199","0.01","88.679","0.01","560.5","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C28 H28 N4 O2 -","2","2","","Ojas A. Namjoshi; Angelica Gryboski; German O. Fonseca; Michael L. Van Linn; Zhi-jian Wang; Jeffrey R. Deschamps; James M. Cook","Development of a Two-Step Route to 3-PBC and βCCt, Two Agents Active against Alcohol Self-Administration in Rodent and Primate Models","Journal of Organic Chemistry","2011","76","","4721","4727","10.1021/jo200425m","","","0.71073","MoKα","","0.1124","0.0924","","","0.2292","0.2469","","","","","","1.085","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026362","12.694","0.0001","16.2992","0.0001","8.3872","0.0001","90","","107.456","0.001","90","","1655.41","0.03","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","","Tillmann Kleine; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Cyclization Reactions of 3,4-Diazaheptatrienyl Metal Compounds. Pyridines from an Anionic Analogue of the Fischer Indole Synthesis: Experiment and Theory","Journal of Organic Chemistry","2011","76","","4591","4599","10.1021/jo200487v","","","1.54178","CuKα","","0.0573","0.0468","","","0.1187","0.128","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026363","9.1095","0.0002","12.3586","0.0003","13.9132","0.0003","90","","108.701","0.001","90","","1483.66","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Tillmann Kleine; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Cyclization Reactions of 3,4-Diazaheptatrienyl Metal Compounds. Pyridines from an Anionic Analogue of the Fischer Indole Synthesis: Experiment and Theory","Journal of Organic Chemistry","2011","76","","4591","4599","10.1021/jo200487v","","","0.71073","MoKα","","0.0588","0.0511","","","0.1196","0.1263","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026364","20.497","0.004","10.569","0.002","19.108","0.004","90","","90","","90","","4139.4","1.4","113","2","113","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C208 H184 N8 O16 -","8","2","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0482","0.0418","","","0.1083","0.1179","","","","","","1.053","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026365","9.5724","0.0013","10.2383","0.0015","11.9176","0.0016","101.788","0.002","113.095","0.002","99.135","0.002","1014","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Cl2 N O -","- C25 H19 Cl2 N O -","- C50 H38 Cl4 N2 O2 -","2","1","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0639","0.046","","","0.1009","0.1101","","","","","","1.046","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026366","29.316","0.011","7.455","0.003","23.171","0.008","90","","103.778","0.003","90","","4918","3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H58 N6 O8 -","- C58 H58 N6 O8 -","- C232 H232 N24 O32 -","4","1","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0646","0.0567","","","0.1199","0.1252","","","","","","1.13","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026367","24.184","0.005","12.837","0.003","7.0688","0.0015","90","","92.193","0.004","90","","2192.9","0.8","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 Cl2 N3 O -","- C25 H19 Cl2 N3 O -","- C100 H76 Cl8 N12 O4 -","4","1","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0676","0.0533","","","0.1085","0.1169","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026368","5.6912","0.0001","11.144","0.0003","12.9653","0.0004","85.9331","0.0012","84.5582","0.0012","87.1641","0.0016","815.77","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C40 H48 F2 N2 O2 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0816","0.048","","0.083","0.0493","0.046","","","","","","1.1348","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026369","6.5113","0.0001","14.8776","0.0002","35.9265","0.0006","90","","95.0616","0.0006","90","","3466.72","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C160 H192 F8 N8 O8 -","8","2","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0841","0.0457","","0.106","0.0927","0.106","","","","","","0.9597","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026370","7.2525","0.0002","10.3974","0.0003","16.8918","0.0006","90","","90","","90","","1273.76","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 F N O -","- C14 H20 F N O -","- C56 H80 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0699","0.0523","","0.1357","0.1286","0.1357","","","","","","0.9633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026371","10.1973","0.0002","8.2488","0.0001","24.7522","0.0005","90","","96.244","0.0006","90","","2069.69","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F N O -","- C25 H28 F N O -","- C100 H112 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0639","0.0437","","0.1135","0.1042","0.1135","","","","","","0.9457","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026372","8.5321","0.0001","15.4179","0.0002","18.4954","0.0003","90","","97.311","0.0007","90","","2413.24","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C108 H116 F4 N8 O16 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0547","0.042","","0.0995","0.0929","0.0995","","","","","","0.9927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026373","8.0438","0.0002","10.6147","0.0002","14.3517","0.0003","79.2464","0.001","84.2125","0.001","87.7064","0.0008","1197.45","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C54 H58 F2 N4 O8 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0447","0.037","","0.0946","0.0898","0.0946","","","","","","0.9809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026374","5.73792","0.00011","7.6761","0.0002","42.7479","0.0009","90","","90.9711","0.0018","90","","1882.55","0.07","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H38 F N O -","- C18 H38 F N O -","- C72 H152 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","1.54184","CuKα","","0.0736","0.0728","","0.0805","0.0792","0.0788","","","","","","0.9582","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026375","7.7469","0.0003","23.8598","0.0007","11.6208","0.0004","90","","92.848","0.003","90","","2145.33","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl N2 O4 P -","- C22 H24 Cl N2 O4 P -","- C88 H96 Cl4 N8 O16 P4 -","4","1","","Deepti Verma; Shaikh Mobin; Irishi N. N. Namboothiri","Highly Selective Synthesis of Pyrazole and Spiropyrazoline Phosphonates via Base-Assisted Reaction of the Bestmann-Ohira Reagent with Enones","Journal of Organic Chemistry","2011","76","","4764","4770","10.1021/jo200582z","","","0.71073","MoKα","","0.0524","0.0383","","","0.0951","0.0988","","","","","","0.911","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026376","9.8119","0.0011","10.452","0.0012","11.1999","0.001","89.691","0.008","73.87","0.009","65.588","0.011","996.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl N2 O4 P -","- C20 H20 Cl N2 O4 P -","- C40 H40 Cl2 N4 O8 P2 -","2","1","","Deepti Verma; Shaikh Mobin; Irishi N. N. Namboothiri","Highly Selective Synthesis of Pyrazole and Spiropyrazoline Phosphonates via Base-Assisted Reaction of the Bestmann-Ohira Reagent with Enones","Journal of Organic Chemistry","2011","76","","4764","4770","10.1021/jo200582z","","","0.71073","MoKα","","0.0716","0.0437","","","0.1026","0.1094","","","","","","0.92","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026377","32.1162","0.0006","15.8781","0.0003","10.14064","0.00018","90","","105.405","0.0008","90","","4985.37","0.16","93.1","","93","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 Cl N O4 S -","- C28 H29 Cl N O4 S -","- C224 H232 Cl8 N8 O32 S8 -","8","1","","Ryo Shintani; Keiichi Ikehata; Tamio Hayashi","Synthesis of Nine-Membered Azlactones by Palladium-Catalyzed Ring-Expansion of γ-Methylidene-δ-valerolactones with Aziridines","Journal of Organic Chemistry","2011","76","","4776","4780","10.1021/jo2006158","","","1.54187","CuKα","","","0.0483","","","","0.0616","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026378","11.214","0.0005","11.4761","0.0006","9.396","0.0005","90","","90","","90","","1209.2","0.11","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C48 H68 N12 O4 -","4","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.1099","0.0959","","","0.1798","0.1896","","","","","","1.142","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026379","13.683","0.001","13.855","0.001","21.7621","0.0009","90","","102.485","0.006","90","","4028.1","0.5","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H53 Cu2 N6 O10 -","- C30 H43 Cu2 N6 O9 -","- C120 H172 Cu8 N24 O36 -","4","2","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0702","0.0549","","","0.1225","0.1322","","","","","","1.09","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026380","7.392","0.0003","17.8921","0.0013","8.029","0.0008","90","","101.047","0.005","90","","1042.23","0.14","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H29 Cu N3 O7 -","- C17 H29 Cu N3 O7 -","- C34 H58 Cu2 N6 O14 -","2","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0624","0.0536","","","0.1321","0.1415","","","","","","1.051","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026381","6.914","0.0003","7.7171","0.0005","9.616","0.0003","89.63","0.004","71.921","0.003","87.634","0.004","487.31","0.04","150","1","150","1","","","","","","","","5","P 1","P 1","1","","","","- C16 H25 Cu N3 O6 -","- C16 H25 Cu N3 O6 -","- C16 H25 Cu N3 O6 -","1","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0282","0.0279","","","0.0706","0.071","","","","","","1.086","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026382","8.8137","0.0003","14.3997","0.0004","11.5592","0.0004","90","","102.084","0.002","90","","1434.52","0.08","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","15a","","","- C28 H36 N2 O7 S -","- C28 H36 N2 O7 S -","- C56 H72 N4 O14 S2 -","2","1","","Ilker Avan; Srinivasa R. Tala; Peter J. Steel; Alan R. Katritzky","Benzotriazole-Mediated Syntheses of Depsipeptides and Oligoesters","Journal of Organic Chemistry","2011","76","","4884","4893","10.1021/jo200174j","","","0.71073","MoKα","","0.0722","0.0648","","","0.1565","0.1624","","","","","","1.068","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026383","15.8008","0.0011","15.8008","0.0011","16.9668","0.001","90","","90","","90","","4236","0.5","103","2","103","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 Cl2 Fe N4 -","- C20 H20 Cl2 Fe N4 -","- C160 H160 Cl16 Fe8 N32 -","8","0.25","","Thi My Uyen Ton; Ciputra Tejo; Stefani Tania; Joyce Wei Wei Chang; Philip Wai Hong Chan","Iron(II)-Catalyzed Amidation of Aldehydes with Iminoiodinanes at Room Temperature and under Microwave-Assisted Conditions","Journal of Organic Chemistry","2011","76","","4894","4904","10.1021/jo200284a","","","0.71073","MoKα","","0.1369","0.1241","","","0.2367","0.2426","","","","","","1.333","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026384","5.8079","0.0002","12.9919","0.0011","14.7368","0.0009","112.916","0.007","99.112","0.004","95.001","0.005","997.65","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N4 O3 -","- C23 H21 N4 O3 -","- C46 H42 N8 O6 -","2","1","","Jason C. Morris; John C. McMurtrie; Steven E. Bottle; Kathryn E. Fairfull-Smith","Generation of Profluorescent Isoindoline Nitroxides Using Click Chemistry","Journal of Organic Chemistry","2011","76","","4964","4972","10.1021/jo200613r","","","0.71073","MoKα","","0.0624","0.0364","","","0.0667","0.0695","","","","","","1.032","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026385","5.1178","0.0002","23.1935","0.0006","15.3254","0.0005","90","","99.668","0.003","90","","1793.28","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 S -","- C21 H17 N O3 S -","- C84 H68 N4 O12 S4 -","4","1","","Ming Yu; Zunjun Liang; Yongyong Wang; Yuhong Zhang","Palladium(II)-Catalyzed Direct Alkenylation and Arylation of Arenes: Removable 2-Pyridylsulfinyl Group Assisted C-H Bond Activation","Journal of Organic Chemistry","2011","76","","4987","4994","10.1021/jo200666z","","","1.54184","CuKα","","0.062","0.0445","","","0.1133","0.1278","","","","","","1.02","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026386","13.21","0.02","13.85","0.02","15.11","0.02","96.8","0.03","91.23","0.03","113.75","0.04","2505","6","120.1","","120.1","","","","","","","","","4","P -1","-P 1","2","","","","- C26.5 H36.5 N O5 -","- C26.5 H36.5 N O5 -","- C106 H146 N4 O20 -","4","2","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.067","","","","0.188","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026387","10.113","0.012","18","0.04","11.76","0.02","90","","92.005","0.011","90","","2139","7","120.1","","120.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 N O5 -","- C22 H33 N O5 -","- C88 H132 N4 O20 -","4","1","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.048","","","","0.14","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026388","12.39","0.01","14.866","0.009","13.148","0.008","90","","109.19","0.008","90","","2287","3","120.1","","120.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 N O5 -","- C25 H33 N O5 -","- C100 H132 N4 O20 -","4","1","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.067","","","","0.194","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026389","12.29","0.02","14.844","0.011","13","0.02","90","","112.15","0.02","90","","2197","5","120.1","","120.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 N O5 -","- C22 H33 N O5 -","- C88 H132 N4 O20 -","4","1","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.046","","","","0.106","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026390","28.461","0.007","5.0778","0.0012","20.983","0.005","90","","98.344","0.004","90","","3000.3","1.2","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,12-bis(methylthio)tetracene","","- C20 H16 S2 -","- C20 H16 S2 -","- C160 H128 S16 -","8","1","","Takakazu Kimoto; Kenro Tanaka; Masatoshi Kawahata; Kentaro Yamaguchi; Saika Otsubo; Yoshimasa Sakai; Yuuki Ono; Akira Ohno; Kenji Kobayashi","Bis(methylthio)tetracenes: Synthesis, Crystal-Packing Structures, and OFET Properties","Journal of Organic Chemistry","2011","76","","5018","5025","10.1021/jo200696a","","","0.71073","MoKα","","0.0764","0.0477","","","0.1109","0.1318","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026391","8.7111","0.0017","8.7795","0.0017","19.621","0.004","90","","90","","90","","1500.6","0.5","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,11-bis(methylthio)tetracene","","- C20 H16 S2 -","- C20 H16 S2 -","- C80 H64 S8 -","4","0.5","","Takakazu Kimoto; Kenro Tanaka; Masatoshi Kawahata; Kentaro Yamaguchi; Saika Otsubo; Yoshimasa Sakai; Yuuki Ono; Akira Ohno; Kenji Kobayashi","Bis(methylthio)tetracenes: Synthesis, Crystal-Packing Structures, and OFET Properties","Journal of Organic Chemistry","2011","76","","5018","5025","10.1021/jo200696a","","","0.71073","MoKα","","0.0518","0.0428","","","0.1186","0.1247","","","","","","1.113","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026392","9.8714","0.0005","10.7521","0.0005","22.9002","0.0011","90","","90","","90","","2430.6","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Br F3 N O2 Si -","- C22 H31 Br F3 N O2 Si -","- C88 H124 Br4 F12 N4 O8 Si4 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0719","0.0456","","","0.1236","0.1444","","","","","","1.04","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026393","4.6758","0.0001","9.7426","0.0002","31.543","0.0006","90","","90","","90","","1436.92","0.05","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F3 N O2 -","- C16 H16 F3 N O2 -","- C64 H64 F12 N4 O8 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0441","0.0382","","","0.0982","0.1017","","","","","","1.079","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026394","8.6101","0.0003","11.18","0.0005","13.0969","0.0006","90","","90","","90","","1260.72","0.09","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0438","0.0366","","","0.0972","0.109","","","","","","1.111","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026395","8.5162","0.0003","16.3427","0.0006","17.5249","0.0005","90","","90","","90","","2439.08","0.14","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C120 H144 N8 O16 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0519","0.0434","","","0.1113","0.1176","","","","","","0.946","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026396","29.779","0.003","12.9861","0.0015","8.9843","0.001","90","","92.459","0.002","90","","3471.1","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H41 N O7 S2 -","- C34 H37 N O6 S2 -","- C136 H148 N4 O24 S8 -","4","1","","Virginia M. Mastranzo; Francisco Yuste; Benjamín Ortiz; Rubén Sánchez-Obregón; Rubén A. Toscano; José L. García Ruano","Asymmetric Synthesis of (S)-(-)-Xylopinine. Use of the Sulfinyl Group as an Ipso Director in Aromatic SE","Journal of Organic Chemistry","2011","76","","5036","5041","10.1021/jo2007237","","","0.71073","MoKα","","0.0369","0.0357","","","0.0875","0.0882","","","","","","1.066","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026397","7.63","0.002","11.254","0.003","12.992","0.004","104.415","0.005","104.272","0.005","99.48","0.005","1016.3","0.5","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br2 N4 O S -","- C21 H18 Br2 N4 O S -","- C42 H36 Br4 N8 O2 S2 -","2","1","","Ken S. Feldman; Ahmed Yimam Nuriye; Jianfeng Li","Extending Pummerer Reaction Chemistry: Studies in the Palau'amine Synthesis Area","Journal of Organic Chemistry","2011","76","","5042","5060","10.1021/jo200740b","","","0.71073","MoKα","","0.0911","0.0707","","","0.1605","0.172","","","","","","1.041","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026398","8.838","0.002","12.387","0.003","13.856","0.004","93.905","0.004","98.513","0.004","103.071","0.004","1453.2","0.6","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","4,5-Dibromo-1H-pyrrole-2-carboxylic acid {2-[2-phenylsulfanyl-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl] -cyclopentylmethyl}-amide","","- C26 H34 Br2 N4 O2 S Si -","- C26 H34 Br2 N4 O2 S Si -","- C52 H68 Br4 N8 O4 S2 Si2 -","2","1","","Ken S. Feldman; Ahmed Yimam Nuriye; Jianfeng Li","Extending Pummerer Reaction Chemistry: Studies in the Palau'amine Synthesis Area","Journal of Organic Chemistry","2011","76","","5042","5060","10.1021/jo200740b","","","0.71073","MoKα","","0.0442","0.0378","","","0.104","0.1078","","","","","","1.037","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026399","8.8595","0.0006","5.7645","0.0003","15.8715","0.0011","90","","103.206","0.007","90","","789.13","0.09","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0516","0.0415","","","0.0975","0.1019","","","","","","1.016","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026400","15.9869","0.0004","5.47925","0.00014","19.1891","0.0005","90","","103.603","0.003","90","","1633.74","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl O4 -","- C16 H23 Cl O4 -","- C64 H92 Cl4 O16 -","4","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0406","0.032","","","0.0762","0.0799","","","","","","1.039","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026401","7.8322","0.0002","11.278","0.0003","11.6378","0.0003","90","","98.353","0.002","90","","1017.08","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C44 H44 Cl4 O12 -","4","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0387","0.0303","","","0.0752","0.0791","","","","","","1.046","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026402","5.9601","0.0003","9.2461","0.0004","12.9839","0.0005","78.931","0.004","84.067","0.003","88.465","0.003","698.42","0.05","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0596","0.0395","","","0.0903","0.0967","","","","","","1.029","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026403","11.1507","0.0003","5.88417","0.00015","27.9019","0.0008","90","","97.71","0.003","90","","1814.17","0.09","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Cl3 N O4 -","- C17 H20 Cl3 N O4 -","- C68 H80 Cl12 N4 O16 -","4","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.057","0.0427","","","0.0878","0.0937","","","","","","1.084","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026404","9.31754","0.00017","11.0378","0.0002","24.8795","0.0005","90","","91.28","0.0007","90","","2558.1","0.08","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl N O3 S -","- C12 H12 Cl N O3 S -","- C96 H96 Cl8 N8 O24 S8 -","8","2","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0468","","","","0.1304","","","","","","1.227","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026405","8.67779","0.00016","12.6373","0.0002","17.1203","0.0003","90","","90","","90","","1877.48","0.06","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl N3 O2 -","- C20 H22 Cl N3 O2 -","- C80 H88 Cl4 N12 O8 -","4","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0471","","","","0.1054","","","","","","0.648","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026406","8.18197","0.00015","8.69418","0.00016","26.3682","0.0005","90","","90","","90","","1875.72","0.06","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl N3 O2 -","- C20 H22 Cl N3 O2 -","- C80 H88 Cl4 N12 O8 -","4","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0286","","","","0.066","","","","","","0.737","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026407","8.3785","0.0004","12.3205","0.0004","8.555","0.0003","90","","90.842","0.003","90","","883.01","0.06","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl N2 O2 S -","- C19 H19 Cl N2 O2 S -","- C38 H38 Cl2 N4 O4 S2 -","2","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0385","","","","0.0906","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026408","18.7066","0.0013","9.9463","0.0007","19.1165","0.0013","90","","111.796","0.001","90","","3302.6","0.4","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Mo O4 P2 -","- C36 H30 Cl2 Mo O4 P2 -","- C144 H120 Cl8 Mo4 O16 P8 -","4","1","","Hanit Marom; Svetlana Antonov; Yanay Popowski; Michael Gozin","Selective Sulfoxidation of Thioethers and Thioaryl Boranes with Nitrate, Promoted by a Molybdenum-Copper Catalytic System","Journal of Organic Chemistry","2011","76","","5240","5246","10.1021/jo2001808","","","0.71073","MoKα","","0.0334","0.0316","","","0.0826","0.0837","","","","","","1.098","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026409","10.2048","0.0015","10.4242","0.0016","12.0507","0.0018","76.208","0.003","72.247","0.003","89.803","0.003","1182.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H24 O -","- C33 H24 O -","- C66 H48 O2 -","2","1","","Yifeng Chen; Yuanhong Liu","Gold-Catalyzed Approach to Multisubstituted Fulvenes via Cycloisomerization of Furan/Ynes","Journal of Organic Chemistry","2011","76","","5274","5282","10.1021/jo2004023","","","0.71073","MoKα","","0.0895","0.0546","","","0.1227","0.1378","","","","","","0.885","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026410","13.252","0.004","8.312","0.003","16.889","0.005","90","","105.957","0.004","90","","1788.7","1","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","","Takayoshi Arai; Atsuko Awata; Makiko Wasai; Naota Yokoyama; Hyuma Masu","Catalytic Asymmetric Friedel-Crafts/Protonation of Nitroalkenes and N-Heteroaromatics","Journal of Organic Chemistry","2011","76","","5450","5456","10.1021/jo200546a","","","0.71073","MoKα","","0.0606","0.049","","","0.1253","0.136","","","","","","1.084","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026411","9.8572","0.0008","23.3339","0.0018","5.9374","0.0005","90","","90","","90","","1365.64","0.19","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","Takayoshi Arai; Atsuko Awata; Makiko Wasai; Naota Yokoyama; Hyuma Masu","Catalytic Asymmetric Friedel-Crafts/Protonation of Nitroalkenes and N-Heteroaromatics","Journal of Organic Chemistry","2011","76","","5450","5456","10.1021/jo200546a","","","0.71073","MoKα","","0.0329","0.0316","","","0.0852","0.0864","","","","","","1.079","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026412","6.292","0.0003","17.3537","0.0009","14.9263","0.0007","90","","91.041","0.002","90","","1629.53","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl N2 -","- C20 H15 Cl N2 -","- C80 H60 Cl4 N8 -","4","1","","Murali Mohan Guru; Md Ashif Ali; Tharmalingam Punniyamurthy","Copper-Mediated Synthesis of Substituted 2-Aryl-N-benzylbenzimidazoles and 2-Arylbenzoxazoles via C-H Functionalization/C-N/C-O Bond Formation","Journal of Organic Chemistry","2011","76","","5295","5308","10.1021/jo2005632","","","0.71073","MoKα","","0.0589","0.0413","","","0.1218","0.1309","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026413","11.628","0.003","16.214","0.004","16.79","0.004","90.054","0.012","108.304","0.012","98.224","0.012","2970.9","1.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H69 B3 F6 N6 O2 -","- C65 H69 B3 F6 N6 O2 -","- C130 H138 B6 F12 N12 O4 -","2","1","","Cliferson Thivierge; Junyan Han; Roxanne M. Jenkins; Kevin Burgess","Fluorescent Proton Sensors Based on Energy Transfer","Journal of Organic Chemistry","2011","76","","5219","5228","10.1021/jo2005654","","","1.54178","CuKα","","0.3493","0.0839","","","0.1357","0.2474","","","","","","1.068","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4026414","7.064","0.007","8.268","0.003","11.578","0.005","75.57","0.03","78.55","0.06","87.06","0.06","641.8","0.7","123","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C7 H6 O S -","- C7 H5.5 O S -","- C28 H22 O4 S4 -","4","2","","Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki","Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer","Journal of Organic Chemistry","2011","76","","5457","5460","10.1021/jo2005796","","","0.71073","MoKα","","","0.06","","","0.061","","","","","1.231","1.231","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026415","13.169","0.009","7.432","0.002","14.718","0.009","90","","90","","90","","1440.5","1.4","123","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O S -","- C8 H8 O S -","- C64 H64 O8 S8 -","8","1","","Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki","Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer","Journal of Organic Chemistry","2011","76","","5457","5460","10.1021/jo2005796","","","1.54184","CuKα","","","0.073","","","0.077","","","","","2.026","2.026","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026416","8.186","0.006","8.136","0.005","11.66","0.005","90","","109.45","0.05","90","","732.3","0.8","123","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O S -","- C8 H8 O S -","- C32 H32 O4 S4 -","4","1","","Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki","Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer","Journal of Organic Chemistry","2011","76","","5457","5460","10.1021/jo2005796","","","1.54184","CuKα","","","0.054","","","0.067","","","","","2.005","2.005","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026417","9.0201","0.0005","9.6539","0.0006","9.7094","0.0006","90","","115.065","0.001","90","","765.86","0.08","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 O S -","- C20 H18 O S -","- C40 H36 O2 S2 -","2","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0302","0.0296","","","0.076","0.0765","","","","","","1.054","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026418","11.981","0.0009","11.8519","0.001","11.4924","0.0009","90","","101.079","0.002","90","","1601.5","0.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0509","0.0396","","","0.0841","0.0886","","","","","","1.044","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026419","9.503","0.002","20.788","0.004","9.877","0.002","90","","116.184","0.004","90","","1751","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O -","- C25 H21 N O -","- C100 H84 N4 O4 -","4","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0713","0.054","","","0.1699","0.1798","","","","","","1.182","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026420","8.2352","0.001","10.6341","0.0013","17.786","0.002","90","","94.111","0.002","90","","1553.6","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0676","0.042","","","0.0953","0.1066","","","","","","1.023","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026421","13.344","0.002","16.574","0.003","15.857","0.002","90","","95.496","0.002","90","","3490.9","0.9","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H55 N2 O6 P S -","- C32 H55 N2 O6 P S -","- C128 H220 N8 O24 P4 S4 -","4","1","","Takehiro Yamagishi; Naoko Tashiro; Tsutomu Yokomatsu","Diastereoselective Synthesis of the Leu-Pro Type Phosphinyl Dipeptide Isostere","Journal of Organic Chemistry","2011","76","","5472","5476","10.1021/jo200669r","","","0.71073","MoKα","","0.052","0.04","","","0.1002","0.1077","","","","","","1.03","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026422","10.9707","0.0009","11.573","0.001","14.9262","0.0012","110.424","0.001","98.32","0.001","109.328","0.001","1601.7","0.2","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 N O6 P S -","- C30 H52 N O6 P S -","- C60 H104 N2 O12 P2 S2 -","2","1","","Takehiro Yamagishi; Naoko Tashiro; Tsutomu Yokomatsu","Diastereoselective Synthesis of the Leu-Pro Type Phosphinyl Dipeptide Isostere","Journal of Organic Chemistry","2011","76","","5472","5476","10.1021/jo200669r","","","0.71073","MoKα","","0.0591","0.0403","","","0.0935","0.1011","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4026423","19.4783","0.0016","5.5238","0.0005","20.4967","0.0016","90","","111.076","0.001","90","","2057.8","0.3","213","2","213","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","9-methylphenanthrene","","","- C15 H12 -","- C15 H12 -","- C120 H96 -","8","2","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.0722","0.0667","","","0.135","0.1375","","","","","","1.34","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026424","13.5583","0.0012","4.8269","0.0004","17.3642","0.0015","90","","105.136","0.002","90","","1096.97","0.16","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","3,9-dimethylphenanthrene","","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","1","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.0773","0.0541","","","0.1428","0.155","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026425","7.3229","0.0018","6.0225","0.0015","19.985","0.005","90","","90","","90","","881.4","0.4","143","1","143","1","","","","","","","","2","P b c a","-P 2ac 2ab","61","2,6-dimethylnaphthalene","","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","0.5","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.0495","0.0385","","","0.1026","0.1106","","","","","","1.059","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026426","9.301","0.004","18.549","0.009","6.56","0.003","90","","90","","90","","1131.8","0.9","213","2","213","2","","","","","","","","2","P n a 21","P 2c -2n","33","","1,9-dimethylphenanthrene","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","1","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.046","0.0394","","","0.0983","0.1021","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026427","11.5823","0.0005","10.0172","0.0005","14.9684","0.0005","90","","99.262","0.004","90","","1714.03","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Fengtao Zhou; Jianguang Liu; Ke Ding; Jinsong Liu; Qian Cai","Copper-Catalyzed Tandem Reaction of Isocyanides with N-(2-Haloaryl)propiolamides for the Synthesis of Pyrrolo[3,2-c]quinolin-4-ones","Journal of Organic Chemistry","2011","76","","5346","5353","10.1021/jo2006939","","","0.71073","MoKα","","0.0844","0.0571","","","0.1428","0.1704","","","","","","1.034","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026428","6.418","0.0002","17.9496","0.0004","40.0556","0.001","90","","90","","90","","4614.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl3 N O4 -","- C22 H24 Cl3 N O4 -","- C176 H192 Cl24 N8 O32 -","8","2","","Paolo Tosatti; Amanda J. Campbell; David House; Adam Nelson; Stephen P. Marsden","Catalyst Control in Sequential Asymmetric Allylic Substitution: Stereodivergent Access to N,N-Diprotected Unnatural Amino Acids","Journal of Organic Chemistry","2011","76","","5495","5501","10.1021/jo200720c","","","0.71073","MoKα","","0.056","0.0431","","","0.0957","0.1019","","","","","","1.052","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026429","4.7721","0.001","8.0365","0.0016","31.58","0.006","90","","90","","90","","1211.1","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2'R,4'S,5'S)-9-(4-hydroxymethyl-3-oxabicyclo[3.2.0]hept-6-en-2-yl) adenine","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C48 H52 N20 O8 -","4","1","","Ramon Flores; Albert Rustullet; Ramon Alibés; Angel Álvarez-Larena; Pedro de March; Marta Figueredo; Josep Font","Synthesis of Purine Nucleosides Built on a 3-Oxabicyclo[3.2.0]heptane Scaffold","Journal of Organic Chemistry","2011","76","","5369","5383","10.1021/jo200775x","","","0.71073","MoKα","","0.1211","0.0603","","","0.1278","0.15","","","","","","1.015","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026430","10.2887","0.0006","10.5055","0.0006","11.3704","0.0006","90","","90","","90","","1229","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1'S,2'S,4'S,5'R)-9-(1'-fluoro-4'-hydroxymethyl-3'-oxabicyclo[3.2.0] hept-2-yl)-9H-hypoxanthine","","- C12 H13 F N4 O3 -","- C12 H13 F N4 O3 -","- C48 H52 F4 N16 O12 -","4","1","","Ramon Flores; Albert Rustullet; Ramon Alibés; Angel Álvarez-Larena; Pedro de March; Marta Figueredo; Josep Font","Synthesis of Purine Nucleosides Built on a 3-Oxabicyclo[3.2.0]heptane Scaffold","Journal of Organic Chemistry","2011","76","","5369","5383","10.1021/jo200775x","","","0.71073","MoKα","","0.036","0.0335","","","0.0884","0.0907","","","","","","1.019","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026431","12.4719","0.0007","11.9181","0.0009","15.2769","0.001","90","","94.271","0.007","90","","2264.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0784","0.0336","","","0.0674","0.0748","","","","","","0.771","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026432","8.6754","0.0006","18.9368","0.0012","12.4873","0.0009","90","","98.82","0.008","90","","2027.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C112 H88 N8 O4 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0606","0.0298","","","0.0598","0.065","","","","","","0.818","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026433","13.3684","0.0006","15.8505","0.0008","32.327","0.0019","90","","90.052","0.004","90","","6850","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Br2 N2 O -","- C28 H18 Br2 N2 O -","- C336 H216 Br24 N24 O12 -","12","3","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.1701","0.0804","","","0.1647","0.2016","","","","","","0.91","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026434","8.7677","0.0006","9.8535","0.0008","13.3542","0.0011","94.163","0.007","100.662","0.006","103.469","0.006","1094.49","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28.5 H22 N2 O0.5 -","- C28 H20 N2 O -","- C56 H40 N4 O2 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0845","0.0474","","","0.0959","0.1062","","","","","","0.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026435","9.0496","0.0009","10.2588","0.0011","13.4558","0.0014","91.748","0.008","97.676","0.008","107.654","0.008","1176.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29.9 H26.1 N2 O1.15 -","- C29.9 H25.6 N2 O0.9 -","- C59.8 H51.2 N4 O1.8 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.1565","0.078","","","0.1577","0.1861","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026436","9.0578","0.0007","10.9639","0.0011","12.37","0.001","100.617","0.008","92.289","0.006","113.747","0.006","1096.26","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O3 -","- C28 H22 N2 O3 -","- C56 H44 N4 O6 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0533","0.0377","","","0.0844","0.0893","","","","","","1.032","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026437","17.2776","0.0016","20.3298","0.0017","21.131","0.0019","63.514","0.004","76.354","0.004","73.522","0.004","6318.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H33 N4 O10 S4 Zn -","- C25 H33 N4 O10 S4 Zn -","- C200 H264 N32 O80 S32 Zn8 -","8","4","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.2365","0.0617","","","0.1497","0.2325","","","","","","0.977","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026438","8.7923","0.0009","20.225","0.0022","14.3873","0.0014","90","","106.642","0.007","90","","2451.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 Br4 N8 O8 Zn2 -","- C46 H46 Br4 N8 O8 Zn2 -","- C92 H92 Br8 N16 O16 Zn4 -","2","0.5","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.0893","0.0439","","","0.0941","0.1103","","","","","","1.013","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026439","8.7282","0.0006","20.3213","0.0015","14.6464","0.0011","90","","107.049","0.002","90","","2483.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H46 Br2 N10 O12 Zn2 -","- C46 H46 Br2 N10 O12 Zn2 -","- C92 H92 Br4 N20 O24 Zn4 -","2","1","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.0758","0.0482","","","0.1074","0.1168","","","","","","1.031","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026440","29.0659","0.0014","13.3859","0.0006","22.1372","0.001","90","","106.56","0.002","90","","8255.7","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H91 N23 O31 Zn2 -","- C67 H91 N23 O31 Zn2 -","- C268 H364 N92 O124 Zn8 -","4","0.5","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.0677","0.0504","","","0.1359","0.148","","","","","","1.021","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026441","8.236","0.003","16.744","0.006","17.667","0.007","109.518","0.012","101.221","0.013","95.073","0.012","2221.2","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 B F2 N2 O2 -","- C27 H25 B F2 N2 O2 -","- C108 H100 B4 F8 N8 O8 -","4","2","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.1312","0.0624","","","0.1527","0.1881","","","","","","0.98","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026442","24.8973","0.0006","11.438","0.0002","9.8194","0.0002","90","","92.5677","0.0014","90","","2793.52","0.1","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 B F6 N2 O4 -","- C31 H29 B F6 N2 O4 -","- C124 H116 B4 F24 N8 O16 -","4","0.5","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","1.54187","CuKa","","0.0478","0.0389","","","0.0963","0.103","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026443","16.897","0.003","23.457","0.002","21.571","0.002","90","","113.294","0.005","90","","7852.8","1.7","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H53 B Cl2 F2 N3 O2.26 -","- C40 H53 B Cl2 F2 N3 O2.2625 -","- C320 H424 B8 Cl16 F16 N24 O18.1 -","8","4","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.0851","0.0597","","","0.1451","0.1573","","","","","","1.041","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026444","12.052","0.004","12.904","0.006","13.351","0.004","79.952","0.016","86.514","0.015","66.794","0.015","1879","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H49 B Cl F6 N3 O2 -","- C39 H49 B Cl F6 N3 O2 -","- C78 H98 B2 Cl2 F12 N6 O4 -","2","1","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.0466","0.0363","","","0.1067","0.114","","","","","","1.073","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026445","8.626","0.002","9.917","0.004","28.029","0.008","96.182","0.013","91.135","0.012","112.602","0.013","2195.8","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H62 B F6 N3 O3 -","- C45 H62 B F6 N3 O3 -","- C90 H124 B2 F12 N6 O6 -","2","1","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.0699","0.0479","","","0.1508","0.1693","","","","","","1.038","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026446","11.8959","0.0007","7.2879","0.0003","22.7295","0.0018","90","","91.218","0.004","90","","1970.1","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Nugzar Ghavtadze; Rishikesh Narayan; Birgit Wibbeling; Ernst-Ulrich Würthwein","3-(Hetero)aryl-4-indolylamino-α-tetralones by Diastereoselective Internal Redox Cyclization: An ""Azaenamine"" Conjugate Addition","Journal of Organic Chemistry","2011","76","","5185","5197","10.1021/jo200896y","","","1.54178","CuKα","","0.0626","0.0451","","","0.1097","0.1234","","","","","","1.055","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026447","6.0519","0.0002","10.2844","0.0008","16.941","0.0008","74.927","0.005","88.001","0.004","77.262","0.005","992.79","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cl N2 O -","- C24 H19 Cl N2 O -","- C48 H38 Cl2 N4 O2 -","2","1","","Nugzar Ghavtadze; Rishikesh Narayan; Birgit Wibbeling; Ernst-Ulrich Würthwein","3-(Hetero)aryl-4-indolylamino-α-tetralones by Diastereoselective Internal Redox Cyclization: An ""Azaenamine"" Conjugate Addition","Journal of Organic Chemistry","2011","76","","5185","5197","10.1021/jo200896y","","","1.54178","CuKα","","0.0788","0.0714","","","0.1862","0.1945","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026448","7.2408","0.0001","8.3225","0.0001","34.4966","0.0005","90","","90","","90","","2078.82","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Seb Caille; Rich Crockett; Krishnakumar Ranganathan; Xiang Wang; Jacqueline C. S. Woo; Shawn D. Walker","Catalytic Asymmetric Synthesis of a Tertiary Benzylic Carbon Center via Phenol-Directed Alkene Hydrogenation","Journal of Organic Chemistry","2011","76","","5198","5206","10.1021/jo200941r","","x-ray","1.54178","CuKα","","0.042","0.0386","","","0.0988","0.1017","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026449","7.049","0.0003","10.2248","0.0004","17.554","0.0007","96.555","0.001","100.854","0.001","98.834","0.001","1214.41","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 Cl O7 -","- C28 H27 Cl O7 -","- C56 H54 Cl2 O14 -","2","1","","Jingjing Ji; Xia Zhang; Yingguang Zhu; Yu Qian; Jing Zhou; Liping Yang; Wenhao Hu","Diastereoselectivity Switch in Cooperatively Catalyzed Three-Component Reactions of an Aryldiazoacetate, an Alcohol, and a β,γ-Unsaturated α-Keto Ester","Journal of Organic Chemistry","2011","76","","5821","5824","10.1021/jo102423c","","","0.71073","MoKα","","0.0339","0.0314","","","0.0811","0.0831","","","","","","1.053","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026450","19.0626","0.0017","9.812","0.0009","22.219","0.002","90","","112.814","0.002","90","","3830.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H32.5 Br N4.5 O5 Se -","- C39 H32.5 Br N4.5 O5 Se -","- C156 H130 Br4 N18 O20 Se4 -","4","1","","Jianfeng Xu; Luling Wu; Xian Huang","Unexpected Formation of (E)-4-Alkene 1,3-Diketones from the Three-Component Reaction of Lithium Selenolates with 1-(1-Alkynyl)cyclopropyl Ketones and Aldehydes","Journal of Organic Chemistry","2011","76","","5598","5605","10.1021/jo2005439","","","0.71073","MoKα","","0.1282","0.0568","","","0.1689","0.1895","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026451","10.3903","0.0013","18.681","0.002","23.4","0.003","90","","90","","90","","4542","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl O4 -","- C27 H23 Cl O4 -","- C216 H184 Cl8 O32 -","8","2","","Cong Liu; Bo-Xuan Tan; Jia-Lu Jin; Yue-Yan Zhang; Nan Dong; Xin Li; Jin-Pei Cheng","Chiral Biscinchona Alkaloid Promoted Asymmetric Allylic Alkylation of 3-Substituted Benzofuran-2(3H)-ones with Morita-Baylis-Hillman Carbonates","Journal of Organic Chemistry","2011","76","","5838","5845","10.1021/jo200557b","","","0.71075","MoKα","","0.0391","0.0352","","","0.0722","0.0738","","","","","","1.033","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026452","13.231","0.005","13.802","0.006","15.921","0.007","90","","108.532","0.008","90","","2757","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 N3 Pd -","- C36 H35 N3 Pd -","- C144 H140 N12 Pd4 -","4","1","","Timothy D. Lash; Alexandra M. Young; Jane M. Rasmussen; Gregory M. Ferrence","Naphthiporphyrins","Journal of Organic Chemistry","2011","76","","5636","5651","10.1021/jo200622s","","x-ray","0.71073","MoKα","","0.0562","0.0475","","","","0.1305","","","","","","1.044","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026453","18.41","0.05","8.05","0.02","21.55","0.06","90","","103.39","0.03","90","","3107","14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl N -","- C20 H16 Cl N -","- C160 H128 Cl8 N8 -","8","1","","Shenci Lu; Ren Wang; Yi Yang; Yang Li; Zongjun Shi; Wei Zhang; Zhifeng Tu","Photoinduced Cyclization of 3-Acyl-2-halo-1-[(ω-phenylethynyl)alkyl]indoles to Azaheterocyclo[1,2,3-lm]-Fused Benzo[c]carbazoles","Journal of Organic Chemistry","2011","76","","5661","5669","10.1021/jo200630x","","","0.71073","MoKα","","0.1477","0.0648","","","0.1031","0.1233","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026454","15.161","0.008","4.746","0.002","20.732","0.01","90","","108.051","0.007","90","","1418.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N -","- C19 H14 Cl N -","- C76 H56 Cl4 N4 -","4","1","","Shenci Lu; Ren Wang; Yi Yang; Yang Li; Zongjun Shi; Wei Zhang; Zhifeng Tu","Photoinduced Cyclization of 3-Acyl-2-halo-1-[(ω-phenylethynyl)alkyl]indoles to Azaheterocyclo[1,2,3-lm]-Fused Benzo[c]carbazoles","Journal of Organic Chemistry","2011","76","","5661","5669","10.1021/jo200630x","","","0.71073","MoKα","","0.1413","0.0542","","","0.1038","0.1361","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026455","9.216","0.004","12.671","0.005","12.559","0.005","90","","103.675","0.008","90","","1425","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H3.5 Br N -","- C19 H14 Br N -","- C76 H56 Br4 N4 -","4","1","","Shenci Lu; Ren Wang; Yi Yang; Yang Li; Zongjun Shi; Wei Zhang; Zhifeng Tu","Photoinduced Cyclization of 3-Acyl-2-halo-1-[(ω-phenylethynyl)alkyl]indoles to Azaheterocyclo[1,2,3-lm]-Fused Benzo[c]carbazoles","Journal of Organic Chemistry","2011","76","","5661","5669","10.1021/jo200630x","","","0.71073","MoKα","","0.0699","0.039","","","0.0907","0.1043","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026456","9.4359","0.0008","9.7924","0.0008","9.9841","0.0008","110.441","0.008","114.906","0.008","93.239","0.007","761.22","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","quinoline","Pyrroloquinoline","","- C19 H14 I N -","- C19 H14 I N -","- C38 H28 I2 N2 -","2","1","","Akhilesh Kumar Verma; Satya Prakash Shukla; Jaspal Singh; Vineeta Rustagi","Synthesis of 5-Iodopyrrolo[1,2-a]quinolines and Indolo[1,2-a]quinolines via Iodine-Mediated Electrophilic and Regioselective 6-endo-dig Ring Closure","Journal of Organic Chemistry","2011","76","","5670","5684","10.1021/jo200638k","","","0.71073","MoKα","","0.038","0.0353","","","0.0913","0.0928","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026457","10.733","0.005","11.104","0.005","18.129","0.005","89.215","0.005","81.7","0.005","61.836","0.005","1881.2","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","HETROCYCLIC","INDOLOQUINOLINE","","- C24 H18 I N O -","- C24 H18 I N O -","- C96 H72 I4 N4 O4 -","4","2","","Akhilesh Kumar Verma; Satya Prakash Shukla; Jaspal Singh; Vineeta Rustagi","Synthesis of 5-Iodopyrrolo[1,2-a]quinolines and Indolo[1,2-a]quinolines via Iodine-Mediated Electrophilic and Regioselective 6-endo-dig Ring Closure","Journal of Organic Chemistry","2011","76","","5670","5684","10.1021/jo200638k","","","0.71073","MoKα","","0.0627","0.0523","","","0.1219","0.1271","","","","","","1.058","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026458","9.002","0.002","18.56","0.006","7.601","0.002","101.47","0.02","105.82","0.02","79.71","0.02","1187","0.6","200","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C52 H64 N4 O10 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.3238","0.0755","","","0.1694","0.2467","","","","","","0.973","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026459","11.444","0.006","15.267","0.007","7.877","0.003","101.11","0.04","110.14","0.04","68.83","0.04","1201.2","1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C54 H64 N4 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.1736","0.0942","","","0.2414","0.2956","","","","","","1.029","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026460","13.307","0.007","14.665","0.009","7.756","0.003","101.96","0.05","104.7","0.04","64.61","0.04","1314.2","1.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H35 N O5 -","- C28 H20 N O5 -","- C56 H40 N2 O10 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.1435","0.0654","","","0.194","0.237","","","","","","1.032","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026461","11.046","0.004","14.956","0.004","7.854","0.002","93.48","0.02","107.16","0.02","109.77","0.02","1147.9","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 F N O3 -","- C26 H32 F N O3 -","- C52 H64 F2 N2 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.0824","0.0449","","","0.1202","0.1407","","","","","","1.023","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026462","11.066","0.004","14.562","0.005","7.933","0.002","97.26","0.02","106.81","0.02","109.31","0.03","1119.5","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C52 H66 N2 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.0975","0.0442","","","0.106","0.1254","","","","","","1.077","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026463","8.969","0.004","18.975","0.01","7.594","0.002","100.72","0.04","106.73","0.03","80.41","0.04","1207.3","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H35 N O3 -","- C27 H35 N O3 -","- C54 H70 N2 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.1862","0.0592","","","0.1393","0.1799","","","","","","1.014","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026464","6.545","0.003","8.428","0.004","9.345","0.004","90","","94.64","0.007","90","","513.8","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C18 H26 N6 O10 -","2","1","","Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar","Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones","Journal of Organic Chemistry","2011","76","","5972","5984","10.1021/jo200260w","","","0.71073","MoKα","","0.0673","0.051","","","0.1305","0.1901","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026465","10.368","0.012","6.633","0.007","12.241","0.013","90","","99.138","0.018","90","","831.1","1.6","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 N O5 -","- C7 H10 N O5 -","- C28 H40 N4 O20 -","4","2","","Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar","Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones","Journal of Organic Chemistry","2011","76","","5972","5984","10.1021/jo200260w","","","0.71073","MoKα","","0.0716","0.0526","","","0.1466","0.1763","","","","","","0.749","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026466","4.558","","6.828","","29.676","","90","","90","","90","","923.577","","298","2","298","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C16 H26 N2 O12 -","- C16 H26 N2 O12 -","- C32 H52 N4 O24 -","2","0.5","","Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar","Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones","Journal of Organic Chemistry","2011","76","","5972","5984","10.1021/jo200260w","","","0.71073","MoKα","","0.0719","0.0534","","","0.1079","0.1341","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026467","5.875","0.005","9.353","0.004","12.52","0.005","90","","97.43","0.005","90","","682.2","0.7","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.1227","0.0583","","","0.1357","0.1913","","","","","","1.047","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026468","9.729","0.001","13.881","0.002","13.377","0.001","90","","104.05","","90","","1752.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71073","MoKα","","0.1223","0.0584","","","0.1515","0.1901","","","","","","1.047","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026469","9.698","0.005","15.006","0.003","13.004","0.004","90","","111.66","0.005","90","0.004","1758.8","1.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.274","0.0874","","","0.1408","0.2035","","","","","","0.98","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026470","14.822","0.005","7.99","0.003","15.408","0.005","90","","92.48","0.005","90","","1823","1.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.1565","0.0755","","","0.202","0.2473","","","","","","0.854","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026471","9.766","0.005","15.452","0.003","12.887","0.005","90","","110.76","0.005","90","","1818.4","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.1229","0.0575","","","0.1499","0.1786","","","","","","0.86","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026472","8.074","0.005","10.504","0.003","12.459","0.005","100.8","0.005","93.35","0.004","104.97","0.005","996.3","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C42 H58 N2 O8 -","2","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.0829","0.0451","","","0.1171","0.1493","","","","","","0.887","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026473","6.588","0.0001","13.13","0.0003","18.398","0.0003","90","","90","","90","","1591.44","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Yolanda Pérez-Fuertes; James E. Taylor; David A. Tickell; Mary F. Mahon; Steven D. Bull; Tony D. James","Asymmetric Strecker Synthesis of α-Arylglycines","Journal of Organic Chemistry","2011","76","","6038","6047","10.1021/jo200528s","","","0.71073","MoKα","","0.0661","0.0399","","","0.0855","0.096","","","","","","1.037","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026474","8.9785","0.0009","11.6414","0.0012","14.8917","0.0017","74.345","0.007","84.975","0.006","83.654","0.006","1486.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 Cl O4 -","- C15 H17 Cl O4 -","- C60 H68 Cl4 O16 -","4","2","","Xiaoyi Chen; Dongxu Chen; Zenghui Lu; Lichun Kong; Gangguo Zhu","Palladium-Catalyzed Coupling of Haloalkynes with Allyl Acetate: A Regio- and Stereoselective Synthesis of (Z)-β-Haloenol Acetates","Journal of Organic Chemistry","2011","76","","6338","6343","10.1021/jo2005318","","","0.71073","MoKα","","0.0797","0.0446","","","0.1188","0.1373","","","","","","1.029","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026475","9.498","0.0005","16.8744","0.0008","19.4763","0.001","90","","90","","90","","3121.5","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Xiaoyi Chen; Dongxu Chen; Zenghui Lu; Lichun Kong; Gangguo Zhu","Palladium-Catalyzed Coupling of Haloalkynes with Allyl Acetate: A Regio- and Stereoselective Synthesis of (Z)-β-Haloenol Acetates","Journal of Organic Chemistry","2011","76","","6338","6343","10.1021/jo2005318","","","0.71073","MoKα","","0.0499","0.0426","","","0.1107","0.1159","","","","","","1.057","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026476","9.14269","0.00017","9.68223","0.00018","30.1893","0.0006","90","","93.6506","0.0012","90","","2666.98","0.09","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H62 Cl4 N2 O4 -","- C57 H62 Cl4 N2 O4 -","- C114 H124 Cl8 N4 O8 -","2","1","","Takuya Hashimoto; Hidenori Kimura; Hiroki Nakatsu; Keiji Maruoka","Synthetic Application and Structural Elucidation of Axially Chiral Dicarboxylic Acid: Asymmetric Mannich-type Reaction with Diazoacetate, (Diazomethyl)phosphonate, and (Diazomethyl)sulfone","Journal of Organic Chemistry","2011","76","","6030","6037","10.1021/jo2005999","","","1.54187","CuKα","","","0.0749","","","","0.2198","","","","","","1.041","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026477","13.233","0.0007","14.1032","0.0008","14.6106","0.0008","100.398","0.001","91.499","0.001","115.592","0.001","2402.1","0.2","143","2","143","2","","","","","","","","2","P -1","-P 1","2","","","","- C176 H56 -","- C176 H56 -","- C176 H56 -","1","0.5","","Wei-Wei Yang; Zong-Jun Li; Xiang Gao","Formation of Singly Bonded PhCH2C60-C60CH2Ph Dimers from 1,2-(PhCH2)HC60 via Electroreductive C60-H Activation","Journal of Organic Chemistry","2011","76","","6067","6074","10.1021/jo2006768","","","0.71073","MoKα","","0.1449","0.0974","","","0.2508","0.2851","","","","","","1.051","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026478","11.3133","0.0006","10.1857","0.0004","14.3493","0.0009","90","","108.054","0.006","90","","1572.11","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C31 H28 Br N3 O7 -","- C31 H28 Br N3 O7 -","- C62 H56 Br2 N6 O14 -","2","1","","Nikola Pavlov; Pierre Gilles; Claude Didierjean; Emmanuel Wenger; Emilia Naydenova; Jean Martinez; Monique Calmès","Asymmetric Synthesis of β2-Tryptophan Analogues via Friedel-Crafts Alkylation of Indoles with a Chiral Nitroacrylate","Journal of Organic Chemistry","2011","76","","6116","6124","10.1021/jo200733t","","x-ray","0.71073","MoKα","","0.0713","0.0537","","","0.1171","0.1274","","","","","","0.993","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026479","10.7713","0.0012","18.247","0.002","17.767","0.002","90","","93.433","0.002","90","","3485.7","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C41 H57 K O3 -","- C41 H57 K O3 -","- C164 H228 K4 O12 -","4","1","","Kohei Ogawa; Koichi Komatsu; Toshikazu Kitagawa","Allyl Radical Nature of a Phenylcyclopentadienyl Radical Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2011","76","","6095","6100","10.1021/jo200748m","","","0.71073","MoKα","","0.105","0.0804","","","0.2369","0.3209","","","","","","1.453","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026480","13.787","0.003","15.652","0.004","15.063","0.004","90","","112.361","0.004","90","","3006.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Cl2 F6 O Sb -","- C30 H35 Cl2 F6 O Sb -","- C120 H140 Cl8 F24 O4 Sb4 -","4","1","","Kohei Ogawa; Koichi Komatsu; Toshikazu Kitagawa","Allyl Radical Nature of a Phenylcyclopentadienyl Radical Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2011","76","","6095","6100","10.1021/jo200748m","","","0.71073","MoKα","","0.0949","0.0664","","","0.1492","0.1628","","","","","","1.125","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026481","5.6864","0.0006","7.6634","0.001","10.3029","0.001","109.174","0.004","96.472","0.005","101.156","0.005","408.46","0.08","150","1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C18 H16 N4 O4 -","2","1","","Matthew Bancerz; Michael K. Georges","Verdazyl Radicals as Substrates for Organic Synthesis: A Synthesis of 3-Methyl-5-aryl-1,3,4-oxadiazolones","Journal of Organic Chemistry","2011","76","","6377","6382","10.1021/jo200820g","","","0.71073","MoKα","","0.0649","0.0456","","","0.1126","0.1264","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026482","9.7248","0.0003","10.2761","0.0003","13.0872","0.0003","92.22","0.002","109.872","0.003","97","0.003","1216.29","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N7 O13 -","- C23 H15 N7 O13 -","- C46 H30 N14 O26 -","2","1","","Michael Mastalerz; Stefanie Sieste; Mila Cenić; Iris M. Oppel","Two-Step Synthesis of Hexaammonium Triptycene: An Air-Stable Building Block for Condensation Reactions to Extended Triptycene Derivatives","Journal of Organic Chemistry","2011","76","","6389","6393","10.1021/jo200843v","","","0.71073","MoKα","","0.0452","0.0395","","","0.1037","0.1069","","","","","","1.049","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026483","7.6538","0.0001","11.5537","0.0002","15.5946","0.0003","90","","90","","90","","1379.03","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 N2 O2 P -","- C13 H21 N2 O2 P -","- C52 H84 N8 O8 P4 -","4","1","","Yurii V. Svyaschenko; Bogdan B. Barnych; Dmitriy M. Volochnyuk; Nadiya V. Shevchuk; Aleksandr N. Kostyuk","Electrocyclization of Phosphahexatrienes: An Approach to λ5-Phosphinines","Journal of Organic Chemistry","2011","76","","6125","6133","10.1021/jo200847r","","","0.71073","MoKα","","0.032","0.0291","","","0.0704","0.0722","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026484","3.8298","0.0002","12.6432","0.0007","23.095","0.0014","90","","92.939","0.003","90","","1116.81","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Acenaphtho[1,2-b]thieno[3,4-e]pyrazine","Acenaphtho[1,2-b]thieno[3,4-e]pyrazine","","- C16 H8 N2 S -","- C16 H8 N2 S -","- C64 H32 N8 S4 -","4","1","","Jon P. Nietfeld; Ryan L. Schwiderski; Thomas P. Gonnella; Seth C. Rasmussen","Structural Effects on the Electronic Properties of Extended Fused-Ring Thieno[3,4-b]pyrazine Analogues","Journal of Organic Chemistry","2011","76","","6383","6388","10.1021/jo200850w","","","1.54178","CuKα","","0.0361","0.0337","","","0.0986","0.1112","","","","","","1.168","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026485","6.874","0.0002","15.5103","0.0004","17.3312","0.0005","90","","90","","90","","1847.81","0.09","296","2","296","2","","","","","","","synthetised","5","P b c n","-P 2n 2ab","60","","2-bromo-5-nitrobenzaldehyde O-methyloxime","","- C8 H7 Br N2 O3 -","- C8 H7 Br N2 O3 -","- C64 H56 Br8 N16 O24 -","8","1","","Emmanuelle Dubost; Christine Fossey; Thomas Cailly; Sylvain Rault; Frederic Fabis","Selective ortho-Bromination of Substituted Benzaldoximes Using Pd-Catalyzed C-H Activation: Application to the Synthesis of Substituted 2-Bromobenzaldehydes","Journal of Organic Chemistry","2011","76","","6414","6420","10.1021/jo200853j","","","0.71073","MoKα","","0.0482","0.0295","","","0.0599","0.0648","","","","","","1.042","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026486","8.0476","0.0003","16.3132","0.0006","11.7439","0.0005","90","","91.959","0.002","90","","1540.86","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C88 H52 N4 O8 -","4","1","","Prachi Singh; Abhishek Baheti; K. R. Justin Thomas","Synthesis and Optical Properties of Acidochromic Amine-Substituted Benzo[a]phenazines","Journal of Organic Chemistry","2011","76","","6134","6145","10.1021/jo200857p","","","0.71073","MoKα","","0.0914","0.0587","","","0.156","0.1796","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026487","7.9149","0.0018","13.363","0.003","14.764","0.004","90","","97.933","0.003","90","","1546.6","0.6","203","2","203","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Eiji Yamaguchi; Fumitoshi Shibahara; Toshiaki Murai","1-Alkynyl- and 1-Alkenyl-3-arylimidazo[1,5-a]pyridines: Synthesis, Photophysical Properties, and Observation of a Linear Correlation between the Fluorescent Wavelength and Hammett Substituent Constants","Journal of Organic Chemistry","2011","76","","6146","6158","10.1021/jo200864x","","","0.71075","MoKα","","0.0675","0.0587","","","0.1621","0.17","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026488","19.809","0.015","10.437","0.007","15.931","0.012","90","","115.828","0.009","90","","2965","4","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C152 H96 N16 S8 -","8","1","","Eiji Yamaguchi; Fumitoshi Shibahara; Toshiaki Murai","1-Alkynyl- and 1-Alkenyl-3-arylimidazo[1,5-a]pyridines: Synthesis, Photophysical Properties, and Observation of a Linear Correlation between the Fluorescent Wavelength and Hammett Substituent Constants","Journal of Organic Chemistry","2011","76","","6146","6158","10.1021/jo200864x","","","0.71075","MoKα","","0.1368","0.0817","","","0.1994","0.3098","","","","","","0.907","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026489","9.7454","0.0014","6.0857","0.0009","14.099","0.002","90","","99.027","0.002","90","","825.8","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H30 O5 -","- C18 H30 O5 -","- C36 H60 O10 -","2","1","","Jun Xie; Yuelong Ma; David A Horne","Asymmetric Synthesis of the Core Structure of Leucosceptroids A-D","Journal of Organic Chemistry","2011","76","","6169","6176","10.1021/jo200899v","","","","","","","","","","","","","","","","","","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026490","10.3229","0.0016","7.8229","0.0012","11.7671","0.0018","90","","99.978","0.011","90","","935.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl N O -","- C23 H20 Cl N O -","- C46 H40 Cl2 N2 O2 -","2","1","","Ziping Cao; Zhaoqun Liu; Yilin Liu; Haifeng Du","Pd-Catalyzed Asymmetric Allylic Etherizations with Oximes by Chiral Alkene-Phosphine Ligands","Journal of Organic Chemistry","2011","76","","6401","6406","10.1021/jo200925q","","","1.54186","CuKα","","0.0374","0.0357","","","0.0827","0.0834","","","","","","1.112","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026491","9.39286","0.00012","7.87082","0.00008","12.69168","0.00017","90","","102.539","0.0013","90","","915.91","0.02","104","2","104","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Cl N O6 -","- C19 H16 Cl N O6 -","- C38 H32 Cl2 N2 O12 -","2","1","","Rui-jiong Lu; Yun-yun Yan; Jin-jia Wang; Quan-sheng Du; Shao-zhen Nie; Ming Yan","Organocatalytic Asymmetric Conjugate Addition and Cascade Acyl Transfer Reaction of α-Nitroketones","Journal of Organic Chemistry","2011","76","","6230","6239","10.1021/jo2009752","","","1.54184","CuKα","","0.0271","0.0259","","","0.066","0.0672","","","","","","1.046","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026492","7.8532","0.0004","7.8328","0.0004","15.11","0.0008","90","","93.534","0.003","90","","927.69","0.08","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O9 -","- C19 H21 N O9 -","- C38 H42 N2 O18 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0386","0.0345","","0.0863","0.083","0.0863","","","","","","1.0314","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026493","8.659","0.0002","35.4747","0.0009","9.0925","0.0002","90","","101.107","0.0012","90","","2740.68","0.11","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C46.63 H60.69 N8.315 O31.87 -","- C46.63 H54 N8.315 O31.87 -","- C93.26 H108 N16.63 O63.74 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0704","0.0504","","0.1098","0.1006","0.1098","","","","","","1.023","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026494","10.0349","0.0003","5.879","0.0001","11.4499","0.0003","90","","113.627","0.0015","90","","618.87","0.03","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Br N O3 -","- C11 H14 Br N O3 -","- C22 H28 Br2 N2 O6 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0261","0.0249","","0.0651","0.0641","0.0651","","","","","","1.0093","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026495","9.7236","0.0002","13.2103","0.0002","14.0965","0.0002","90","","90","","90","","1810.72","0.05","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C80 H84 N4 O24 -","4","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0387","0.0341","","0.0873","0.0844","0.0873","","","","","","1.0024","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026496","8.6115","0.0008","7.9108","0.0008","11.263","0.0012","90","","105.651","0.006","90","","738.83","0.13","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.1015","0.0814","","0.236","0.2245","0.236","","","","","","1.0223","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026497","16.377","0.003","5.927","0.002","29.072","0.007","90","","87.537","0.017","90","","2819.3","1.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","Yutaka Matsuda; Yusuke Endo; Yoko Saikawa; Masaya Nakata","Synthetic Studies on Polymaxenolides: Synthesis and Structure Elucidation of Nominal Epoxyafricanane and Other Africane-Type Sesquiterpenoids","Journal of Organic Chemistry","2011","76","","6258","6263","10.1021/jo2010186","","","0.71069","MoKα","","0.1726","0.1146","","","0.3713","0.4324","","","","","","1.627","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026498","8.656","0.0004","5.919","0.0002","13.168","0.0005","90","","104.521","0.002","90","","653.11","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N O5 -","- C12 H12 Cl N O5 -","- C24 H24 Cl2 N2 O10 -","2","1","","Gonzalo Blay; Isabel Fernández; M. Carmen Muñoz; José R. Pedro; Alejandro Recuenco; Carlos Vila","Enantioselective Synthesis of Tertiary Alcohols through a Zirconium-Catalyzed Friedel-Crafts Alkylation of Pyrroles with α-Ketoesters","Journal of Organic Chemistry","2011","76","","6286","6294","10.1021/jo2010704","","","0.71073","MoKα","","0.0427","0.0347","","","0.097","0.1031","","","","","","0.998","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026499","9.3698","0.0009","12.8502","0.0012","21.309","0.002","90","","94.857","0.002","90","","2556.5","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N2 O4 Se -","- C30 H32 N2 O4 Se -","- C120 H128 N8 O16 Se4 -","4","1","","Timothy D. Lash; Kae Miyake; Linlin Xu; Gregory M. Ferrence","Synthesis of a Series of Aromatic Benziporphyrins and Heteroanalogues via Tripyrrane-Like Intermediates Derived from Resorcinol and 2-Methylresorcinol","Journal of Organic Chemistry","2011","76","","6295","6308","10.1021/jo201098c","","x-ray","0.71073","MoKα","","0.0307","0.0275","","","0.0757","0.0782","","","","","","1.031","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026500","8.095","0.0009","12.6448","0.0014","20.093","0.003","90","","90","","90","","2056.7","0.4","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br2 O4 -","- C22 H20 Br2 O4 -","- C88 H80 Br8 O16 -","4","1","","Patrick G. McGarraugh; Joshua H. Jones; Stacey E. Brenner-Moyer","A General Organocatalyzed Michael-Michael Cascade Reaction Generates Functionalized Cyclohexenes","Journal of Organic Chemistry","2011","76","","6309","6319","10.1021/jo201140a","","","0.71075","MoKα","","","0.0506","","","","0.1127","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026501","6.4729","0.0007","9.5197","0.001","30.427","0.003","90","","91.325","0.006","90","","1874.4","0.3","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O9 -","- C18 H22 N2 O9 -","- C72 H88 N8 O36 -","4","1","","Rakeshwar Bandichhor; Andrew N. Lowell; Marisa C. Kozlowski","Alternative Spiroketalization Methods toward Purpuromycin: A Hemiketal Conjugate Addition Strategy and Use of an Electron-Rich Isocoumarin Precursor","Journal of Organic Chemistry","2011","76","","6475","6487","10.1021/jo200398v","","","0.71073","MoKα","","0.0877","0.0762","","","0.1985","0.2052","","","","","","1.213","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026502","8.356","0.002","5.4364","0.0013","23.154","0.005","90","","95.498","0.003","90","","1047","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 F O2 -","- C13 H11 F O2 -","- C52 H44 F4 O8 -","4","2","","Jun-Ling Chen; Feng Zheng; Yangen Huang; Feng-Ling Qing","Synthesis of γ-Monofluorinated Goniothalamin Analogues via Regio- and Stereoselective Ring-Opening Hydrofluorination of Epoxide","Journal of Organic Chemistry","2011","76","","6525","6533","10.1021/jo200611w","","","0.71073","MoKα","","0.0443","0.0424","","","0.1236","0.1257","","","","","","1.081","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026503","9.1481","0.0006","13.7312","0.0009","14.6068","0.0009","74.556","0.001","73.613","0.001","79.902","0.001","1686.74","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 Cl2 N O2 -","- C44 H31 Cl2 N O2 -","- C88 H62 Cl4 N2 O4 -","2","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","0.71073","MoKα","","0.0674","0.0545","","","0.1341","0.1424","","","","","","1.023","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026504","9.2633","0.0007","12.7857","0.0008","13.783","0.001","74.876","0.006","72.754","0.007","79.222","0.006","1494.35","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H29 N O2 -","- C43 H29 N O2 -","- C86 H58 N2 O4 -","2","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","1.54178","CuKα","","0.1049","0.0542","","","0.1359","0.1638","","","","","","0.88","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026505","21.1065","0.0015","6.0864","0.0004","12.9348","0.001","90","","90.95","0.004","90","","1661.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","0.71073","MoKα","","0.1552","0.069","","","0.1684","0.1904","","","","","","1.014","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026506","14.0259","0.0006","6.2593","0.0003","24.8603","0.0011","90","","103.114","0.002","90","","2125.62","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl3 N O2 -","- C24 H18 Cl3 N O2 -","- C96 H72 Cl12 N4 O8 -","4","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","0.71073","MoKα","","0.1054","0.0559","","","0.1474","0.1722","","","","","","0.925","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026507","7.6599","0.0015","9.3279","0.0019","16.515","0.003","90","","90","","90","","1180","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O6 S -","- C10 H10 N2 O6 S -","- C40 H40 N8 O24 S4 -","4","1","","Suneel P. Singh; Alex Michaelides; A. Rod Merrill; Adrian L. Schwan","A Microwave-Assisted Synthesis of (S)-N-Protected Homoserine γ-Lactones from l-Aspartic Acid","Journal of Organic Chemistry","2011","76","","6825","6831","10.1021/jo2008093","","","0.71073","MoKα","","0.0422","0.0346","","","0.0817","0.0867","","","","","","1.101","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026508","5.0855","0.0001","9.6271","0.0003","25.6576","0.0007","90","","90","","90","","1256.16","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Erin R. Graham; Rik R. Tykwinski","Chiral Propargyl Alcohols via the Enantioselective Addition of Terminal Di- and Triynes to Aldehydes","Journal of Organic Chemistry","2011","76","","6574","6583","10.1021/jo2008719","","","0.71073","MoKα","","0.0319","0.0312","","","0.086","0.0872","","","","","","1.084","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026509","8.1955","0.0007","10.7777","0.0008","17.285","0.0014","80.839","0.003","87.076","0.004","88.599","0.003","1505.1","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N5 O14 S -","- C29 H27 N5 O14 S -","- C58 H54 N10 O28 S2 -","2","1","","Roderick W. Bates; K. Sivarajan; Bernd F. Straub","A Synthesis of Pseudoconhydrine and Its Epimer via Hydroformylation and Dihydroxylation","Journal of Organic Chemistry","2011","76","","6844","6848","10.1021/jo2008912","","","0.71073","MoKα","","0.0972","0.0563","","","0.1379","0.1718","","","","","","1.075","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026510","22.688","0.0005","22.688","0.0005","8.4809","0.0003","90","","90","","90","","4365.5","0.2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C24 H21 Cl N2 O2 S -","- C24 H21 Cl N2 O2 S -","- C192 H168 Cl8 N16 O16 S8 -","8","1","","Yizhe Yan; Kun Xu; Yang Fang; Zhiyong Wang","A Catalyst-Free Benzylic C-H Bond Olefination of Azaarenes for Direct Mannich-like Reactions","Journal of Organic Chemistry","2011","76","","6849","6855","10.1021/jo2008934","","","0.71073","MoKα","","0.0824","0.0541","","","0.1708","0.1838","","","","","","1.069","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026511","7.7365","0.0004","10.5171","0.0006","19.434","0.0012","90","","90","","90","","1581.26","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","","Diego Núñez-Villanueva; M. Ángeles Bonache; Lourdes Infantes; M. Teresa García-López; Mercedes Martín-Martínez; Rosario González-Muñiz","Quaternary α,α-2-Oxoazepane α-Amino Acids: Synthesis from Ornithine-Derived β-Lactams and Incorporation into Model Dipeptides","Journal of Organic Chemistry","2011","76","","6592","6603","10.1021/jo200894d","","","1.54178","CuKα","","0.0936","0.0854","","","0.2173","0.2241","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026512","5.324","0.008","10.365","0.015","14.32","0.02","89.195","0.019","84.673","0.018","76.599","0.017","765.4","1.9","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Jun Yong Kang; Brian T. Connell","Palladium-Catalyzed Alkynylation of Secondary α-Bromo Carbonyl Compounds via Stille Coupling","Journal of Organic Chemistry","2011","76","","6856","6859","10.1021/jo200939u","","","0.71073","MoKα","","0.052","0.0422","","","0.1122","0.1182","","","","","","1.052","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026513","8.32986","0.0001","11.95103","0.00015","35.3621","0.0005","90","","90","","90","","3520.31","0.08","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1β-(6-Bromopyridin-3-yl)-1,3,5-tri -O-(tert-butyldimethylsilyl)-D-ribofuranose","","- C28 H54 Br N O5 Si3 -","- C28 H54 Br N O5 Si3 -","- C112 H216 Br4 N4 O20 Si12 -","4","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0412","0.038","","0.0496","0.0464","0.0464","","","","","","0.9277","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026514","5.03627","0.00013","10.7538","0.0003","10.169","0.0003","90","","97.824","0.002","90","","545.62","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-(5-Methylpyridin-2-yl)-1-deoxy-D-ribofuranose","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C22 H30 N2 O8 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0413","0.0395","","0.0509","0.0475","0.0475","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026515","4.99794","0.00007","10.75451","0.00016","11.3672","0.00017","90","","91.1917","0.0013","90","","610.859","0.015","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-[5-(Dimethylamino)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C24 H36 N4 O8 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.03","0.0297","","0.0331","0.0328","0.0328","","","","","","1.0585","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026516","6.8778","0.0003","10.4003","0.0005","9.7635","0.0004","90","","105.007","0.005","90","","674.58","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-[5-(Dimethylcarbamoyl)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0296","0.0291","","0.037","0.0369","0.0369","","","","","","0.9325","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026517","4.9831","0.0003","11.6287","0.0008","11.875","0.0008","90","","100.351","0.007","90","","676.92","0.08","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","1β-[5-(2-Thienyl)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C28 H30 N2 O8 S2 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0682","0.0554","","0.0808","0.0678","0.0678","","","","","","1.0708","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026518","8.8486","0.0013","9.5964","0.0014","27.377","0.004","90","","96.322","0.002","90","","2310.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N3 Ni O3 -","- C29 H21 N3 Ni O3 -","- C116 H84 N12 Ni4 O12 -","4","1","","Daizong Lin; Li Lv; Jiang Wang; Xiao Ding; Hualiang Jiang; Hong Liu","Preparation of α-Alkyl-β-Amino Acids via β-Alanine Ni(II) Complex","Journal of Organic Chemistry","2011","76","","6649","6656","10.1021/jo200971k","","","0.71073","MoKα","","0.0311","0.0284","","","0.0861","0.088","","","","","","1.076","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026519","13.979","0.004","7.47","0.002","19.413","0.004","90","","133.822","0.012","90","","1462.6","0.7","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N2 O3 -","- C16 H13 Cl N2 O3 -","- C64 H52 Cl4 N8 O12 -","4","1","","Tom Verhelst; Jens Maes; Zuming Liu; Sergey Sergeyev; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Selective Bromine-Magnesium Exchange and Lactam Directed Ortho C-H Magnesiation","Journal of Organic Chemistry","2011","76","","6670","6677","10.1021/jo201009m","","","0.71073","MoKα","","0.0779","0.0553","","","0.1589","0.1762","","","","","","1.149","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026520","4.3122","0.0012","10.505","0.003","27.486","0.007","90","","90","","90","","1245.1","0.6","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl N2 O S -","- C12 H11 Cl N2 O S -","- C48 H44 Cl4 N8 O4 S4 -","4","1","","Tom Verhelst; Jens Maes; Zuming Liu; Sergey Sergeyev; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Selective Bromine-Magnesium Exchange and Lactam Directed Ortho C-H Magnesiation","Journal of Organic Chemistry","2011","76","","6670","6677","10.1021/jo201009m","","","0.71073","MoKα","","0.0411","0.0352","","","0.0836","0.0897","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026521","21.995","0.004","5.7088","0.0009","35.394","0.005","90","","102.439","0.009","90","","4339.9","1.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H26 F N O4 -","- C27 H26 F N O4 -","- C216 H208 F8 N8 O32 -","8","2","","Michał Michalak; Maciej Stodulski; Sebastian Stecko; Adam Mames; Irma Panfil; Magdalena Soluch; Bartłomiej Furman; Marek Chmielewski","A Formal Synthesis of Ezetimibe via Cycloaddition/Rearrangement Cascade Reaction","Journal of Organic Chemistry","2011","76","","6931","6936","10.1021/jo2010846","","","0.71073","MoKα","","0.0473","0.0399","","","0.0864","0.0897","","","","","","1.05","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026522","9.7919","0.0002","7.53219","0.00015","16.9507","0.0004","90","","100.148","0.002","90","","1230.63","0.05","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H45 Cl -","- C27 H45 Cl -","- C54 H90 Cl2 -","2","1","","Ross M. Denton; Jie An; Beatrice Adeniran; Alexander J. Blake; William Lewis; Andrew M. Poulton","Catalytic Phosphorus(V)-Mediated Nucleophilic Substitution Reactions: Development of a Catalytic Appel Reaction","Journal of Organic Chemistry","2011","76","","6749","6767","10.1021/jo201085r","","","1.54184","CuKα","","0.0708","0.0667","","","0.179","0.185","","","","","","1.07","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026523","20.8394","0.0011","9.278","0.0005","24.4594","0.0014","90","","90","","90","","4729.2","0.4","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H58 Cl3 N O3 P2 -","- C48 H58 Cl3 N O3 P2 -","- C192 H232 Cl12 N4 O12 P8 -","4","1","","Ross M. Denton; Jie An; Beatrice Adeniran; Alexander J. Blake; William Lewis; Andrew M. Poulton","Catalytic Phosphorus(V)-Mediated Nucleophilic Substitution Reactions: Development of a Catalytic Appel Reaction","Journal of Organic Chemistry","2011","76","","6749","6767","10.1021/jo201085r","","","0.71073","MoKα","","0.0497","0.043","","","0.0925","0.0949","","","","","","1.01","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026524","6.6621","0.0006","6.6337","0.0006","16.6396","0.0014","90","","98.936","0.005","90","","726.45","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Xiaotao Zhuo; Kai Xiang; Fu-Min Zhang; Yong-Qiang Tu","Total Synthesis of (+)-Przewalskin B","Journal of Organic Chemistry","2011","76","","6918","6924","10.1021/jo201111w","","","0.71073","MoKα","","0.0657","0.0477","","","0.1179","0.1316","","","","","","1.035","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026525","13.2045","0.0018","19.022","0.003","18.615","0.003","90","","98.097","0.002","90","","4629","1.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H24 O10 -","- C70 H24 O10 -","- C280 H96 O40 -","4","1","","Gang Zhang; Qianyan Zhang; Zhenshan Jia; Sisi Liang; Liangbing Gan; Yuliang Li","Preparation of a 12-Membered Open-Cage Fullerendione through Silane/Borane-Promoted Formation of Ketal Moieties and Oxidation of a Vicinal Fullerendiol","Journal of Organic Chemistry","2011","76","","6743","6748","10.1021/jo201143k","","","0.71073","MoKα","","0.0793","0.0688","","","0.1618","0.1682","","","","","","1.127","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026526","12.3277","0.0005","8.9364","0.0004","13.1357","0.0006","90","","104.071","0.001","90","","1403.68","0.11","120","0.2","120","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl4 N4 O18 -","- C16 H30 Cl4 N4 O18 -","- C32 H60 Cl8 N8 O36 -","2","0.5","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.0336","0.0305","","","0.0849","0.0868","","","","","","1.079","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026527","5.8449","0.0013","13.893","0.003","11.655","0.003","90","","94.21","0.004","90","","943.9","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O8 -","- C18 H18 Cl2 N2 O8 -","- C36 H36 Cl4 N4 O16 -","2","0.5","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.0787","0.0575","","","0.1813","0.2269","","","","","","1.097","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026528","8.7194","0.0007","11.738","0.001","17.3124","0.0015","79.194","0.004","80.249","0.003","77.874","0.003","1686","0.2","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H84 Cl4 N4 O33 -","- C52 H78 Cl4.002 N4 O33.006 -","- C52 H78 Cl4.002 N4 O33.006 -","1","0.5","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.1837","0.1138","","","0.2706","0.307","","","","","","1.026","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026529","20.79","0.003","27.46","0.004","21.875","0.003","90","","90.096","0.004","90","","12488","3","120","0.2","120","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H75.63 Cl4 N4.25 O28.44 -","- C50.5 H74.75 Cl4 N4.25 O28.44 -","- C404 H598 Cl32 N34 O227.52 -","8","2","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.1464","0.0715","","","0.1694","0.1944","","","","","","0.875","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026530","15.8125","0.0006","8.2142","0.0002","24.8634","0.0008","90","","90","","90","","3229.43","0.18","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 O5 -","- C18 H14 N4 O5 -","- C144 H112 N32 O40 -","8","1","","Anna M. Said; G. Paul Savage","Atropisomerism-Induced Facial Selectivity in Nitrile Oxide Cycloadditions with 5-Methylenehydantoins","Journal of Organic Chemistry","2011","76","","6946","6950","10.1021/jo2011818","","","0.71073","MoKα","","0.0512","0.0411","","","0.1012","0.1079","","","","","","1.031","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026531","10.5942","0.001","19.501","0.0018","11.6473","0.001","90","","111.836","0.002","90","","2233.7","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N7 O2 -","- C25 H19 N7 O2 -","- C100 H76 N28 O8 -","4","0.5","","Dolores Santa María; M. Ángeles Farrán; M. Ángeles García; Elena Pinilla; M. Rosario Torres; José Elguero; Rosa M. Claramunt","Synthetic Hosts for Molecular Recognition of Ureas","Journal of Organic Chemistry","2011","76","","6780","6788","10.1021/jo201191x","","","0.71073","MoKα","","0.1018","0.0409","","","0.1049","0.1301","","","","","","0.985","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026532","37.0092","0.0016","13.0987","0.0004","14.0975","0.0005","90","","95.401","0.003","90","","6803.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H68 N14 O7 S2 -","- C76 H68 N14 O7 S2 -","- C304 H272 N56 O28 S8 -","4","0.5","","Dolores Santa María; M. Ángeles Farrán; M. Ángeles García; Elena Pinilla; M. Rosario Torres; José Elguero; Rosa M. Claramunt","Synthetic Hosts for Molecular Recognition of Ureas","Journal of Organic Chemistry","2011","76","","6780","6788","10.1021/jo201191x","","","0.71073","MoKα","","0.082","0.0535","","","0.1576","0.1688","","","","","","1.093","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026533","5.9088","0.0001","8.2275","0.0001","8.8385","0.0002","94.299","0.001","102.726","0.001","93.867","0.001","416.386","0.013","293","2","293","2","","","","","","","","4","P 1","P 1","1","phenyl phenylselenyl isochromen","3-phenyl-4-(phenylselenyl)-1H-isochromen-1-one","","- C21 H14 O2 Se -","- C21 H14 O2 Se -","- C21 H14 O2 Se -","1","1","","Adriane Sperança; Benhur Godoi; Simone Pinton; Davi F. Back; Paulo H. Menezes; Gilson Zeni","Regioselective Synthesis of Isochromenones by Iron(III)/PhSeSePh-Mediated Cyclization of 2-Alkynylaryl Esters","Journal of Organic Chemistry","2011","76","","6789","6797","10.1021/jo201211s","","","0.71073","MoKα","","0.0387","0.0349","","","0.083","0.085","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026534","7.4468","0.0005","11.144","0.0007","27.7567","0.0017","90","","90","","90","","2303.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O3 -","- C27 H40 O3 -","- C108 H160 O12 -","4","1","","Xi-Bo Chen; Qian-Jia Yuan; Jing Wang; Si-Kai Hua; Jiangmeng Ren; Bu-Bing Zeng","Synthesis of the Scalarane Sesterterpenoid 16-deacetoxy-12-epi-scalarafuranacetate","Journal of Organic Chemistry","2011","76","","7216","7221","10.1021/jo2008127","","","0.71073","MoKα","","0.0433","0.039","","","0.1145","0.1188","","","","","","1.065","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026535","9.0198","0.0004","11.6551","0.0006","11.6797","0.0005","97.658","0.003","110.694","0.003","106.89","0.003","1060.22","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 Cl O6 -","- C22 H21 Cl O6 -","- C44 H42 Cl2 O12 -","2","1","","Qu-Bo Li; Fei-Ting Zhou; Zheng-Geng Liu; Xue-Feng Li; Wei-Dong Zhu; Jian-Wu Xie","K2CO3-Promoted Domino Reactions: Construction of Functionalized 2,3-Dihydrobenzofurans and Clofibrate Analogues","Journal of Organic Chemistry","2011","76","","7222","7228","10.1021/jo2008675","","","0.71073","MoKα","","","0.0735","","","0.2184","0.2603","","","","","","1.056","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026536","15.7744","0.0006","10.0072","0.0004","14.5277","0.0005","90","","111.652","0.002","90","","2131.5","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br Cl O6 -","- C22 H20 Br Cl O6 -","- C88 H80 Br4 Cl4 O24 -","4","1","","Qu-Bo Li; Fei-Ting Zhou; Zheng-Geng Liu; Xue-Feng Li; Wei-Dong Zhu; Jian-Wu Xie","K2CO3-Promoted Domino Reactions: Construction of Functionalized 2,3-Dihydrobenzofurans and Clofibrate Analogues","Journal of Organic Chemistry","2011","76","","7222","7228","10.1021/jo2008675","","","0.71073","MoKα","","","0.0483","","","0.1232","0.1413","","","","","","1.036","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026537","7.9833","0.0005","11.209","0.0007","11.4737","0.0012","116.08","0.006","91.797","0.006","109.652","0.004","848.75","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C38 H38 N2 O8 -","2","1","","Qu-Bo Li; Fei-Ting Zhou; Zheng-Geng Liu; Xue-Feng Li; Wei-Dong Zhu; Jian-Wu Xie","K2CO3-Promoted Domino Reactions: Construction of Functionalized 2,3-Dihydrobenzofurans and Clofibrate Analogues","Journal of Organic Chemistry","2011","76","","7222","7228","10.1021/jo2008675","","","0.71073","MoKα","","","0.0533","","","0.1429","0.1664","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026538","20.08","","5.978","","12.389","","90","","104.4","","90","","1440.43","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 N2 O4 S -","- C11 H20 N2 O4 S -","- C44 H80 N8 O16 S4 -","4","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0916","0.0692","","","0.1839","0.1984","","","","","","1.061","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026539","27.7068","0.0011","5.8066","0.0002","21.0351","0.0008","90","","103.144","0.004","90","","3295.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C128 H168 N8 O32 S8 -","8","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0498","0.0387","","","0.1042","0.1109","","","","","","1.047","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026540","7.9436","0.001","10.6539","0.0016","13.268","0.002","107.76","0.011","107.42","","90","","1015.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N O5 S2 -","- C20 H23 N O5 S2 -","- C40 H46 N2 O10 S4 -","2","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0452","0.0357","","","0.0908","0.0969","","","","","","0.997","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026541","6.6298","0.0002","7.9932","0.0002","26.5748","0.0008","90","","92.578","0.003","90","","1406.86","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0458","0.0346","","","0.0943","0.1005","","","","","","1.045","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026542","10.643","0.002","5.8696","0.0012","15.844","0.003","90","","102.025","0.006","90","","968.1","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Sumit Saha; Subhas Chandra Roy","Titanocene(III) Chloride Mediated Radical Induced Allylation of Aldimines: Formal Synthesis of C-Linked 4'-Deoxy Aza-disaccharide","Journal of Organic Chemistry","2011","76","","7229","7234","10.1021/jo200908b","","","0.71073","MoKα","","0.0643","0.0419","","","0.0903","0.103","","","","","","0.958","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026543","30.7167","0.0004","11.4762","0.0002","19.3445","0.0003","90","","125.362","0.0008","90","","5561.1","0.16","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Z)-2-isopropoxy-4-((1-(2-isopropoxy-4-nitrophenyl)-5-methyl-1-oxohex-2-en-3-yl) amino)benzamide","","- C28 H36 N4 O6 -","- C28 H36 N4 O6 -","- C224 H288 N32 O48 -","8","1","","Marc J. Adler; Andrew D. Hamilton","Oligophenylenaminones as Scaffolds for α-Helix Mimicry","Journal of Organic Chemistry","2011","76","","7040","7047","10.1021/jo200917d","","","0.71073","MoKα","","0.0796","0.0569","","0.071","0.0557","0.053","","","","","","1.0844","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026544","7.8063","0.0005","12.4919","0.0009","14.4086","0.001","68.686","0.001","79.523","0.001","74.993","0.001","1258.29","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","08003","","","- C26 H46 O4 Si -","- C26 H46 O4 Si -","- C52 H92 O8 Si2 -","2","1","","Grant S. Buchanan; Kevin P. Cole; Yu Tang; Richard P. Hsung","Total Synthesis of (\±)-Phomactin A. Lessons Learned from Respecting a Challenging Structural Topology","Journal of Organic Chemistry","2011","76","","7027","7039","10.1021/jo200936r","","","0.71073","MoKα","","0.0716","0.045","","","0.1003","0.1147","","","","","","1.006","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026545","9.4004","0.0007","10.2614","0.0008","13.271","0.001","101.813","0.001","93.644","0.001","94.256","0.001","1245.5","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","04320","","","- C25 H44 O4 Si -","- C25 H44 O4 Si -","- C50 H88 O8 Si2 -","2","1","","Grant S. Buchanan; Kevin P. Cole; Yu Tang; Richard P. Hsung","Total Synthesis of (\±)-Phomactin A. Lessons Learned from Respecting a Challenging Structural Topology","Journal of Organic Chemistry","2011","76","","7027","7039","10.1021/jo200936r","","","0.71073","MoKα","","0.0503","0.0401","","","0.1031","0.113","","","","","","1.021","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026546","13.826","0.001","10.4515","0.0009","11.916","0.001","90","","106.751","0.002","90","","1648.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","04119","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Grant S. Buchanan; Kevin P. Cole; Yu Tang; Richard P. Hsung","Total Synthesis of (\±)-Phomactin A. Lessons Learned from Respecting a Challenging Structural Topology","Journal of Organic Chemistry","2011","76","","7027","7039","10.1021/jo200936r","","","0.71073","MoKα","","0.0744","0.0425","","","0.091","0.101","","","","","","1.02","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026547","17.6991","0.0011","17.7612","0.0011","18.108","0.0011","74.61","0.001","77.744","0.001","73.738","0.001","5209.8","0.6","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C107 H150 O17 -","- C107 H150 O17 -","- C214 H300 O34 -","2","1","","Katerina Kogan; Silvio E. Biali","Conformationally Restricted Calix[8]arenes Substituted at All Methylene Bridges","Journal of Organic Chemistry","2011","76","","7240","7244","10.1021/jo2009643","","","0.71073","MoKα","","0.0977","0.0753","","","0.2194","0.2342","","","","","","1.085","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026548","23.8379","0.0015","22.2455","0.0014","31.724","0.002","90","","90.392","0.001","90","","16822.4","1.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H202.5 Cl9 N2.5 O8 -","- C168 H202.5 Cl9 N2.5 O8 -","- C672 H810 Cl36 N10 O32 -","4","1","","Katerina Kogan; Silvio E. Biali","Conformationally Restricted Calix[8]arenes Substituted at All Methylene Bridges","Journal of Organic Chemistry","2011","76","","7240","7244","10.1021/jo2009643","","","0.71073","MoKα","","0.2365","0.141","","","0.3818","0.4208","","","","","","1.289","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026549","33.177","0.008","25.438","0.006","23.549","0.005","90","","91.265","0.004","90","","19869","8","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C208 H258 O8 -","- C208 H258 O8 -","- C832 H1032 O32 -","4","0.5","","Katerina Kogan; Silvio E. Biali","Conformationally Restricted Calix[8]arenes Substituted at All Methylene Bridges","Journal of Organic Chemistry","2011","76","","7240","7244","10.1021/jo2009643","","","0.71073","MoKα","","0.271","0.1273","","","0.3232","0.4101","","","","","","1.063","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026550","7.6095","0.0004","9.119","0.0005","24.1791","0.0012","90","","90","","90","","1677.81","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Br N Si -","- C17 H22 Br N Si -","- C68 H88 Br4 N4 Si4 -","4","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0195","0.0185","","","0.0477","0.0481","","","","","","1.073","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026551","8.2568","0.0003","12.9481","0.0005","18.6506","0.0007","90","","90","","90","","1993.93","0.13","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br N Si -","- C20 H28 Br N Si -","- C80 H112 Br4 N4 Si4 -","4","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0254","0.0213","","","0.0512","0.053","","","","","","1.052","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026552","8.7606","0.0003","14.0441","0.0005","19.0306","0.0008","90","","102.267","0.001","90","","2287.97","0.15","90","2","90","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C40 H58 Br4 N2 O3 Si2 Zn -","- C40 H58 Br4 N2 O3 Si2 Zn -","- C80 H116 Br8 N4 O6 Si4 Zn2 -","2","0.5","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0248","0.0245","","","0.0633","0.0635","","","","","","1.029","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026553","8.445","0.0004","7.4439","0.0004","16.4853","0.0008","90","","102.33","0.001","90","","1012.42","0.09","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N Si -","- C22 H24 Br N Si -","- C44 H48 Br2 N2 Si2 -","2","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0319","0.0271","","","0.0647","0.0674","","","","","","1.033","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026554","18.534","0.004","8.8696","0.0017","13.761","0.003","90","","97.078","0.008","90","","2244.9","0.8","100","","100","","","","","","","","methanol/dichloromethane,","5","C 1 2 1","C 2y","5","","ethynyl-2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)-2,6-pyridyl- amido-(R)-1-ethyl-methylsulfonate","","- C21 H21 N7 O5 S -","- C21 H21 N7 O5 S -","- C84 H84 N28 O20 S4 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","1.54178","Cu-Kα","","0.1295","0.0408","","","0.0883","0.0922","","","","","","1.169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026555","17.235","0.002","17.235","0.002","12.72","0.003","90","","90","","90","","3778.4","1.1","100","","100","","","","","","","","methanol/dichloromethane","6","P 43","P 4cw","78","","trimethylsilyl-ethynyl-2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)- 2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)-2,6-pyridyl-amido-(S)- 1-ethyl-methyl-sulfonate","","- C34 H38 N12 O6 S Si -","- C34 H38 N12 O6 S Si -","- C136 H152 N48 O24 S4 Si4 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","0.71073","Mo-Kα","","0.0388","0.0328","","","0.0781","0.0823","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026556","12.4653","0.0005","17.197","0.0007","17.6158","0.0008","90","","90","","90","","3776.2","0.3","100","","100","","","","","","","","water/acetone(1:1)","4","P 21 21 21","P 2ac 2ab","19","","cyclo-tris-((R)ethyl-1,5-triazol-2,6-pyridyl-amino-carbonyl) acetone dihydrate solute","","- C33 H37 N15 O6 -","- C33 H37 N15 O6 -","- C132 H148 N60 O24 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","1.54178","Cu-Kα","","0.0617","0.0558","","","0.1413","0.1456","","","","","","1.143","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026557","14.2352","0.0009","14.2352","0.0009","15.1711","0.0009","90","","90","","120","","2662.4","0.3","","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- C33 H39 N9 O9 -","- C33 H39 N9 O9 -","- C99 H117 N27 O27 -","3","0.333333","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","","","","","","","","","","","","","","","","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026558","9.9601","0.0009","9.3717","0.0009","19.2123","0.0018","90","","101.469","0.002","90","","1757.5","0.3","100","","100","","","","","","","","acetone,hexane","4","P 1 21 1","P 2yb","4","","cyclo-tris-((R)ethyl-1,5-triazol-2,6-pyridyl-amino-carbonyl) acetone hydrate solute","","- C33 H35 N15 O5 -","- C33 H35 N15 O5 -","- C66 H70 N30 O10 -","2","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","0.71073","Mo-Kα","","0.0393","0.0371","","","0.1027","0.106","","","","","","0.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026559","13.7926","0.0005","8.9256","0.0003","14.0637","0.0004","90","","119.333","0.002","90","","1509.36","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O7 -","- C14 H17 N O7 -","- C56 H68 N4 O28 -","4","2","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71073","MoKα","","0.0889","0.0484","","","0.0994","0.116","","","","","","1.043","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026560","7.2444","0.0002","8.4332","0.0003","27.215","0.0009","90","0.005","90","0.005","90","0.005","1662.66","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O9 -","- C15 H19 N O9 -","- C60 H76 N4 O36 -","4","1","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71069","MoKα","","0.0593","0.0422","","","0.0848","0.0919","","","","","","1.041","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026561","7.2387","0.0003","8.1145","0.0004","23.705","0.001","90","","90","","90","","1392.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","c450-2","","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","1","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71069","MoKα","","0.0564","0.0442","","","0.1006","0.107","","","","","","1.042","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026562","7.4737","0.0014","12.984","0.002","23.026","0.004","90","","90","","90","","2234.4","0.7","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","1","","Maria A. Povalyakhina; Alexander S. Antonov; Olga V. Dyablo; Valery A. Ozeryanskii; Alexander F. Pozharskii","H-Bond-Assisted Intramolecular Nucleophilic Displacement of the 1-NMe2 Group in 1,8-Bis(dimethylamino)naphthalenes as a Route to Multinuclear Heterocyclic Compounds and Strained Naphthalene Derivatives","Journal of Organic Chemistry","2011","76","","7157","7166","10.1021/jo201171z","","","0.71073","MoKα","","0.0676","0.0532","","","0.1019","0.1087","","","","","","1.001","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026563","8.9925","0.0016","9.4538","0.0017","11.71","0.002","109.472","0.004","105.396","0.004","90.581","0.004","899.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl N4 O4 -","- C20 H17 Cl N4 O4 -","- C40 H34 Cl2 N8 O8 -","2","1","","Maria A. Povalyakhina; Alexander S. Antonov; Olga V. Dyablo; Valery A. Ozeryanskii; Alexander F. Pozharskii","H-Bond-Assisted Intramolecular Nucleophilic Displacement of the 1-NMe2 Group in 1,8-Bis(dimethylamino)naphthalenes as a Route to Multinuclear Heterocyclic Compounds and Strained Naphthalene Derivatives","Journal of Organic Chemistry","2011","76","","7157","7166","10.1021/jo201171z","","","0.71073","MoKα","","0.0771","0.0529","","","0.1007","0.1092","","","","","","1.008","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026564","8.3498","0.0011","10.0042","0.0013","17.756","0.002","98.894","0.003","102.414","0.003","101.285","0.003","1390.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C60 H76 N12 O4 -","4","2","","Maria A. Povalyakhina; Alexander S. Antonov; Olga V. Dyablo; Valery A. Ozeryanskii; Alexander F. Pozharskii","H-Bond-Assisted Intramolecular Nucleophilic Displacement of the 1-NMe2 Group in 1,8-Bis(dimethylamino)naphthalenes as a Route to Multinuclear Heterocyclic Compounds and Strained Naphthalene Derivatives","Journal of Organic Chemistry","2011","76","","7157","7166","10.1021/jo201171z","","","0.71073","MoKα","","0.1132","0.0587","","","0.1078","0.121","","","","","","1.009","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026565","11.654","0.0016","5.9858","0.0012","19.445","0.002","90","","90.756","0.014","90","","1356.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H52 O7 -","- C27 H52 O7 -","- C54 H104 O14 -","2","1","","Victoria L. Challinor; Patricia Y. Hayes; Paul V. Bernhardt; William Kitching; Reginald P. Lehmann; James J. De Voss","Revision of the Absolute Configurations of Bethosides B and C and Their Aglycone","Journal of Organic Chemistry","2011","76","","7275","7280","10.1021/jo2012797","","","1.5418","CuKα","","0.0882","0.077","","","0.2006","0.2111","","","","","","1.045","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026566","14.5918","0.0002","14.5918","0.0002","21.0203","0.0006","90","","90","","90","","4475.66","0.15","150","2","150","2","","","","","","","","6","P 42/n","-P 4bc","","","","","- C23 H22 B F2 N3 O2 -","- C23 H22 B F2 N3 O2 -","- C184 H176 B8 F16 N24 O16 -","8","","","M. Rajeswara Rao; Manu D. Tiwari; Jayesh R. Bellare; M. Ravikanth","Synthesis of BF2 Complexes of Prodigiosin Type Oligopyrroles","Journal of Organic Chemistry","2011","76","","7263","7268","10.1021/jo201183s","","","0.71073","MoKα","","0.0865","0.0586","","","0.1858","0.197","","","","","","1.032","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026567","11.534","0.005","14.383","0.005","15.388","0.005","103.451","0.005","104.397","0.005","90.407","0.005","2399.1","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H40 Cl0 Cu0 N4 O13 S2 -","- C45 H34 N4 O12 S2 -","- C90 H68 N8 O24 S4 -","2","1","","Saumen Hajra; Debarshi Sinha","Catalytic Enantioselective Aziridoarylation of Aryl Cinnamyl Ethers toward Synthesis of trans-3-Amino-4-arylchromans","Journal of Organic Chemistry","2011","76","","7334","7340","10.1021/jo200711s","","","0.71073","MoKα","","0.1331","0.0897","","","0.258","0.3039","","","","","","1.089","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026568","5.5102","0.0012","21.666","0.005","13.819","0.003","90","","93.434","0.003","90","","1646.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F3 O3 S -","- C17 H13 F3 O3 S -","- C68 H52 F12 O12 S4 -","4","1","","Hao Lin; Qilong Shen; Long Lu","β-(Trifluoromethyl)vinyl Sulfonium Salts: Preparation and Reactions with Active Methylene and Methenyl Compounds","Journal of Organic Chemistry","2011","76","","7359","7369","10.1021/jo2009033","","","0.71073","MoKα","","0.0416","0.0376","","","0.1153","0.121","","","","","","0.997","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026569","9.6406","0.0011","12.0965","0.0014","12.8257","0.0015","69.462","0.002","74.343","0.002","66.94","0.002","1273.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 F3 N2 O8 -","- C27 H21 F3 N2 O8 -","- C54 H42 F6 N4 O16 -","2","1","","Hao Lin; Qilong Shen; Long Lu","β-(Trifluoromethyl)vinyl Sulfonium Salts: Preparation and Reactions with Active Methylene and Methenyl Compounds","Journal of Organic Chemistry","2011","76","","7359","7369","10.1021/jo2009033","","","0.71073","MoKα","","0.0749","0.0592","","","0.1614","0.1758","","","","","","1.037","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026570","13.188","0.0015","8.071","0.0007","16.17","0.002","90","","95.472","0.01","90","","1713.3","0.3","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Gianna Reginato; Bernardo Pezzati; Andrea Ienco; Gabriele Manca; Andrea Rossin; Alessandro Mordini","Synthesis of Enantiomerically Enriched Amino Sulfide Building Blocks from Acyclic Chiral Amino Allylsilanes","Journal of Organic Chemistry","2011","76","","7415","7422","10.1021/jo2010878","","x-ray","0.71069","MoKα","","0.1106","0.0516","","","0.1487","0.1718","","","","","","0.867","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026571","7.847","0.001","14.306","0.001","19.458","0.002","90","0.005","90","0.005","90","0.005","2184.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 S -","- C20 H26 N2 O4 S -","- C80 H104 N8 O16 S4 -","4","1","","Gianna Reginato; Bernardo Pezzati; Andrea Ienco; Gabriele Manca; Andrea Rossin; Alessandro Mordini","Synthesis of Enantiomerically Enriched Amino Sulfide Building Blocks from Acyclic Chiral Amino Allylsilanes","Journal of Organic Chemistry","2011","76","","7415","7422","10.1021/jo2010878","","x-ray","0.71069","MoKα","","0.1233","0.045","","","0.104","0.1215","","","","","","0.813","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026572","8.112","0.011","12.822","0.019","16.77","0.02","90","","90","","90","","1744","4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl N O3 -","- C19 H18 Cl N O3 -","- C76 H72 Cl4 N4 O12 -","4","1","","Yao-Zong Liu; Jie Zhang; Peng-Fei Xu; Yong-Chun Luo","Organocatalytic Asymmetric Michael Addition of 1-Acetylindolin-3-ones to α,β-Unsaturated Aldehydes: Synthesis of 2-Substituted Indolin-3-ones","Journal of Organic Chemistry","2011","76","","7551","7555","10.1021/jo201123p","","","0.71073","MoKα","","0.1578","0.0544","","","0.0499","0.0642","","","","","","0.967","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026573","8.663","0.011","9.218","0.011","12.471","0.015","82.408","0.012","80.41","0.013","77.913","0.014","955","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Br N O3 -","- C19 H16 Br N O3 -","- C38 H32 Br2 N2 O6 -","2","1","","Yao-Zong Liu; Jie Zhang; Peng-Fei Xu; Yong-Chun Luo","Organocatalytic Asymmetric Michael Addition of 1-Acetylindolin-3-ones to α,β-Unsaturated Aldehydes: Synthesis of 2-Substituted Indolin-3-ones","Journal of Organic Chemistry","2011","76","","7551","7555","10.1021/jo201123p","","","0.71073","MoKα","","0.1165","0.0538","","","0.1157","0.1368","","","","","","1.027","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026574","8.85","0.002","8.977","0.002","14.964","0.004","92.095","0.005","95.857","0.005","93.976","0.005","1178.6","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Pentamethylphenylchromene 5Ch","Pentamethylphenylchromene 5Ch","","- C32 H30 O -","- C32 H30 O -","- C64 H60 O2 -","2","1","","Susovan Mandal; Keshaba Nanda Parida; Subhas Samanta; Jarugu Narasimha Moorthy","Influence of (2,3,4,5,6-Pentamethyl/phenyl)phenyl Scaffold: Stereoelectronic Control of the Persistence of o-Quinonoid Reactive Intermediates of Photochromic Chromenes","Journal of Organic Chemistry","2011","76","","7406","7414","10.1021/jo201144t","","","0.71073","MoKα","","0.1323","0.0875","","","0.2187","0.2739","","","","","","1.442","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026575","5.2154","0.0003","11.7483","0.0006","21.7737","0.0015","90","","90","","90","","1334.12","0.14","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4S,5R)-5-(benzyloxy)-4-methyl-1,2,3-oxathiazepane 2,2-dioxide","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C48 H68 N4 O16 S4 -","4","1","","Guillaume Malik; Audrey Estéoule; Pascal Retailleau; Philippe Dauban","Aziridines from Intramolecular Alkene Aziridination of Sulfamates: Reactivity toward Carbon Nucleophiles. Application to the Synthesis of Spisulosine and Its Fluoro Analogue","Journal of Organic Chemistry","2011","76","","7438","7448","10.1021/jo201209x","","","1.54187","CuKα","","0.0954","0.0664","","","0.1615","0.2044","","","","","","1.203","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026576","8.481","0.0004","11.2846","0.0005","15.6157","0.0011","90","","90","","90","","1494.5","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(4S,5R)-5-fluoro-4-methyl-3-tosyl-1,2,3-oxathiazepane 2,2-dioxide","","- C12 H16 F N O5 S2 -","- C12 H16 F N O5 S2 -","- C48 H64 F4 N4 O20 S8 -","4","1","","Guillaume Malik; Audrey Estéoule; Pascal Retailleau; Philippe Dauban","Aziridines from Intramolecular Alkene Aziridination of Sulfamates: Reactivity toward Carbon Nucleophiles. Application to the Synthesis of Spisulosine and Its Fluoro Analogue","Journal of Organic Chemistry","2011","76","","7438","7448","10.1021/jo201209x","","","1.54187","CuKα","","0.0413","0.0353","","","0.0897","0.1081","","","","","","1.095","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026577","9.7329","0.0001","21.7097","0.0003","9.7718","0.0001","90","","94.5024","0.0011","90","","2058.39","0.04","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C44 H40 Cl3 F6 N2 P -","- C44 H40 Cl3 F6 N2 P -","- C88 H80 Cl6 F12 N4 P2 -","2","1","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","x-ray","1.54184","CuKα","","0.0507","0.0433","","","0.1054","0.1101","","","","","","1.045","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026578","8.4419","0.0005","13.7473","0.0008","24.4406","0.0014","90","","90","","90","","2836.4","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Cl N2 Si2 -","- C25 H37 Cl N2 Si2 -","- C100 H148 Cl4 N8 Si8 -","4","1","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","","","0.0441","0.0354","","","0.0961","0.1101","","","","","","1.15","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026579","34.92","0.005","9.8441","0.0015","16.837","0.002","90","","116.653","0.002","90","","5172.8","1.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","Dan Eddings Ag-1","Silver(I) chloride complex with chiral (all R) pyrazol","","- C31 H28 Ag Cl N2 -","- C31 H28 Ag Cl N2 -","- C248 H224 Ag8 Cl8 N16 -","8","2","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","MoKα","","0.0634","0.0409","","","0.0753","0.0857","","","","","","0.998","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026580","15.7516","0.0011","11.2673","0.0008","14.1985","0.001","90","","115.097","0.001","90","","2282","0.3","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Chiral Cu(I)-Cl-pyrazolyl-complex","","- C53 H58 Cl Cu N2 O -","- C53 H58 Cl Cu N2 O -","- C106 H116 Cl2 Cu2 N4 O2 -","2","0.5","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","MoKα","","0.0579","0.0438","","","0.1031","0.1118","","","","","","1.03","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026581","27.263","0.008","19.99","0.007","16.688","0.007","90","","103.53","0.02","90","","8842","6","164","2","164","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C134 H126 N6 Zn -","- C64 H46 N6 Zn -","- C256 H184 N24 Zn4 -","4","1","","Soumen K. Samanta; Debabrata Samanta; Jan W. Bats; Michael Schmittel","DABCO as a Dynamic Hinge between Cofacial Porphyrin Panels and Its Tumbling inside a Supramolecular Cavity","Journal of Organic Chemistry","2011","76","","7466","7473","10.1021/jo201252q","","","0.71073","MoKα","","0.1918","0.0843","","","0.1712","0.1956","","","","","","0.899","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026582","8.41","0.0017","10.721","0.002","15.596","0.003","90","","90","","90","","1406.2","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C64 H64 N16 O4 -","4","1","","Na Shao; Guang-Xian Pang; Cai-Xia Yan; Gao-Feng Shi; Ying Cheng","Reaction of β-Lactam Carbenes with 2-Pyridyl Isonitriles: A One-Pot Synthesis of 2-Carbonyl-3-(pyridylamino)imidazo[1,2-a]pyridines Useful as Fluorescent Probes for Mercury Ion","Journal of Organic Chemistry","2011","76","","7458","7465","10.1021/jo201273p","","","0.71073","MoKα","","0.042","0.0403","","","0.0956","0.097","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026583","5.9038","0.0006","7.6357","0.0009","11.8298","0.0014","78.482","0.007","82.754","0.007","88.56","0.007","518.37","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Spiro[[1,3]dioxolane-2,7'-tricyclo[6.3.0.0^2,6^]undeca- 1(8),2(6)-diene]","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","1","","Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker","Quest for Even Higher Stabilized Foiled Carbenes","Journal of Organic Chemistry","2011","76","","7491","7496","10.1021/jo201308a","","","0.71073","MoKα","","0.0598","0.0404","","","0.095","0.1053","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026584","7.532","0.0004","15.8313","0.0008","18.9055","0.001","90","","90","","90","","2254.3","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","12,12-Dibromotetracyclo[6.3.1.0^1,8^.0^2,6^]dodec-2(6)-en-7-one","","- C12 H12 Br2 O -","- C12 H12 Br2 O -","- C96 H96 Br16 O8 -","8","1","","Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker","Quest for Even Higher Stabilized Foiled Carbenes","Journal of Organic Chemistry","2011","76","","7491","7496","10.1021/jo201308a","","","0.71073","MoKα","","0.0427","0.0226","","","0.0475","0.0551","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026585","8.1835","0.0003","9.9975","0.0004","14.7884","0.0006","90","","102.036","0.002","90","","1183.31","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","12,12-Dibromo-7-methylenetetracyclo[6.3.1.0^1,8^.0^2,6^]dodec- 2(6)-ene","","- C13 H14 Br2 -","- C13 H14 Br2 -","- C52 H56 Br8 -","4","1","","Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker","Quest for Even Higher Stabilized Foiled Carbenes","Journal of Organic Chemistry","2011","76","","7491","7496","10.1021/jo201308a","","","0.71073","MoKα","","0.0544","0.0302","","","0.056","0.0625","","","","","","1.004","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026586","11.985","0.001","9.94","0.001","21.337","0.002","90","","97.1","0.01","90","","2522.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-bis(4-methoxyphenyl)-2-(o-tolyl)-5-(p-tolyl)-thiophen","","- C32 H28 O2 S -","- C32 H28 O2 S -","- C128 H112 O8 S4 -","4","1","","Alireza Rahimi; Jan C. Namyslo; Martin H. H. Drafz; Julian Halm; Eike Hübner; Martin Nieger; Nicola Rautzenberg; Andreas Schmidt","Selective Mono- to Perarylations of Tetrabromothiophene by a Cyclobutene-1,2-diylbisimidazolium Preligand","Journal of Organic Chemistry","2011","76","","7316","7325","10.1021/jo201317t","","","0.71073","MoKα","","0.0686","0.0468","","","0.0991","0.1086","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026587","14.5401","0.0015","15.8885","0.0015","18.4527","0.0015","86.76","0.005","79.926","0.005","64.92","0.005","3800.8","0.6","143","1","143","1","","","","","","","","4","P 1","P 1","1","","","","- C31 H60 O7 Si2 -","- C31 H60 O7 Si2 -","- C124 H240 O28 Si8 -","4","4","","Venkata Velvadapu; Tapas Paul; Bharat Wagh; Ian Glassford; Charles DeBrosse; Rodrigo B. Andrade","Total Synthesis of (-)-4,8,10-Tridesmethyl Telithromycin","Journal of Organic Chemistry","2011","76","","7516","7527","10.1021/jo201319b","","","0.71073","MoKα","","0.0944","0.077","","","0.1958","0.2169","","","","","","1.117","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026588","16.607","0.003","5.175","0.001","21.855","0.004","90","","90.73","0.03","90","","1878.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Michał Michalak; Karol Michalak; Zofia Urbanczyk-Lipkowska; Jerzy Wicha","Synthetic Studies on Dicyclopenta[a,d]cyclooctane Terpenoids: Construction of the Core Structure of Fusicoccins and Ophiobolins on the Route Involving a Wagner-Meerwein Rearrangement","Journal of Organic Chemistry","2011","76","","7497","7509","10.1021/jo201357p","","","1.54178","CuKα","","0.2426","0.0656","","","0.1422","0.1883","","","","","","1.024","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026589","27.836","0.004","8.721","0.0006","10.6844","0.0011","90","","90.219","0.01","90","","2593.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N2 O7 -","- C27 H36 N2 O7 -","- C108 H144 N8 O28 -","4","1","","Michał Michalak; Karol Michalak; Zofia Urbanczyk-Lipkowska; Jerzy Wicha","Synthetic Studies on Dicyclopenta[a,d]cyclooctane Terpenoids: Construction of the Core Structure of Fusicoccins and Ophiobolins on the Route Involving a Wagner-Meerwein Rearrangement","Journal of Organic Chemistry","2011","76","","7497","7509","10.1021/jo201357p","","","0.71073","MoKα","","0.0544","0.0336","","","0.0652","0.0693","","","","","","0.881","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026590","14.206","0.018","8.077","0.01","29.35","0.04","90","","104.131","0.012","90","","3266","7","123","2","123","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C39 H12 F15 N5 -","- C39 H12 F15 N5 -","- C156 H48 F60 N20 -","4","1","","Motoki Toganoh; Yasunori Kawabe; Hiroyuki Furuta","C-Fused Norrole: A Fused Corrole Isomer Bearing a N,C-Linked Bipyrrole Unit","Journal of Organic Chemistry","2011","76","","7618","7622","10.1021/jo2014017","","","0.71069","MoKa","","0.1777","0.1182","","","0.3171","0.3758","","","","","","1.049","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026591","28.261","0.004","7.783","0.001","13.361","0.002","90","","102.794","0.005","90","","2865.9","0.7","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C120 H136 N8 O40 -","8","1","","Silong Xu; Rongshun Chen; Zhengjie He","PBu3-Mediated Vinylogous Wittig Reaction of α-Methyl Allenoates with Aldehydes and Mechanistic Investigations","Journal of Organic Chemistry","2011","76","","7528","7538","10.1021/jo201466k","","","0.71075","MoKα","","0.0479","0.0387","","","0.1049","0.1095","","","","","","0.995","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026592","10.0199","0.0004","7.6276","0.0003","12.0388","0.0005","90","","102.113","0.002","90","","899.61","0.06","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O -","- C24 H22 O -","- C48 H44 O2 -","2","1","","Chin-Chau Chen; Shyh-Chyun Yang; Ming-Jung Wu","Palladium-Catalyzed Annulation of 2-(1-Alkynyl)biphenyls with Aryl Iodides to Disubstituted Methylidenefluorenes.","Journal of Organic Chemistry","2011","76","","7631","7631","10.1021/jo9017556","","","0.71073","MoKα","","0.0612","0.0497","","","0.1222","0.1394","","","","","","1.147","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026593","11.8911","0.0003","9.3355","0.0003","19.5017","0.0007","90","","104.559","0.001","90","","2095.36","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C108 H76 N4 O12 -","4","1","","Chin-Chau Chen; Shyh-Chyun Yang; Ming-Jung Wu","Palladium-Catalyzed Annulation of 2-(1-Alkynyl)biphenyls with Aryl Iodides to Disubstituted Methylidenefluorenes.","Journal of Organic Chemistry","2011","76","","7631","7631","10.1021/jo9017556","","","0.71073","MoKα","","0.1426","0.0669","","","0.1564","0.2017","","","","","","1.03","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026594","14.7109","0.0006","7.5521","0.0004","12.9338","0.0006","90","","89.922","0.004","90","","1436.92","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O5 S -","- C15 H12 O5 S -","- C60 H48 O20 S4 -","4","1","","Ganesh Chandra Nandi; Subhasis Samai; Maya Shankar Singh","One-Pot Two-Component [3 + 2] Cycloaddition/Annulation Protocol for the Synthesis of Highly Functionalized Thiophene Derivatives","Journal of Organic Chemistry","2011","76","","8009","8014","10.1021/jo200685e","","","0.71073","MoKα","","0.0799","0.0497","","","0.1017","0.1175","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026595","9.184","0.0012","9.445","0.0013","26.482","0.003","90","","90","","90","","2297.1","0.5","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br N O3 P S -","- C23 H21 Br N O3 P S -","- C92 H84 Br4 N4 O12 P4 S4 -","4","1","","Peizhong Xie; Liye Wang; Lihua Yang; Erqing Li; Jianze, Ma; You Huang; Ruyu Chen","Domino Reaction for the Chemo- and Stereoselective Synthesis of trans-2,3-Dihydrobenzofurans from N-Thiophosphinyl Imines and Sulfur Ylides","Journal of Organic Chemistry","2011","76","","7699","7705","10.1021/jo2008737","","","0.71075","MoKα","","0.0354","0.0279","","","0.0523","0.0542","","","","","","0.897","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026596","5.9628","0.0005","11.7329","0.0009","13.0844","0.001","101.225","0.001","94.5613","0.0009","103.631","0.001","865.01","0.12","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O5 -","- C19 H20 N4 O5 -","- C38 H40 N8 O10 -","2","1","","David J. Dibble; Joseph W. Ziller; K. A. Woerpel","Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts","Journal of Organic Chemistry","2011","76","","7706","7719","10.1021/jo200950s","","","0.71073","MoKα","","0.0553","0.0387","","","0.0919","0.1003","","","","","","1.033","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026597","16.0264","0.0007","5.8","0.0003","22.8485","0.0011","90","","90","","90","","2123.84","0.18","103","2","103","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","1","","David J. Dibble; Joseph W. Ziller; K. A. Woerpel","Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts","Journal of Organic Chemistry","2011","76","","7706","7719","10.1021/jo200950s","","","0.71073","MoKα","","0.0346","0.031","","","0.0761","0.0787","","","","","","1.026","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026598","28.416","0.005","11.6122","0.0019","12.493","0.002","90","","113.211","0.003","90","","3788.7","1.1","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 B F4 N O -","- C20 H24 B F4 N O -","- C160 H192 B8 F32 N8 O8 -","8","1","","David J. Dibble; Joseph W. Ziller; K. A. Woerpel","Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts","Journal of Organic Chemistry","2011","76","","7706","7719","10.1021/jo200950s","","","0.71073","MoKα","","0.1033","0.0621","","","0.1511","0.1783","","","","","","1.055","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026599","8.5484","0.0007","11.9015","0.001","17.2138","0.0014","98.08","0.001","103.382","0.001","106.809","0.001","1590","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(4S,4aS,10bR)-4-(4-bromophenyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isochromene","","- C19 H19 Br O -","- C19 H19 Br O -","- C76 H76 Br4 O4 -","4","2","","B. V. Subba Reddy; Prashant Borkar; J. S. Yadav; B. Sridhar; René Grée","Tandem Prins/Friedel-Crafts Cyclization for Stereoselective Synthesis of Heterotricyclic Systems","Journal of Organic Chemistry","2011","76","","7677","7690","10.1021/jo201027u","","","0.71073","MoKα","","0.0882","0.051","","","0.1429","0.1726","","","","","","1.019","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026600","6.4953","0.0005","23.3341","0.0019","14.4367","0.0012","90","","99.956","0.001","90","","2155.1","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4S,4aR,10bR)-4-isobutyl-3-tosyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f] isoquinoline","","- C24 H31 N O2 S -","- C24 H31 N O2 S -","- C96 H124 N4 O8 S4 -","4","1","","B. V. Subba Reddy; Prashant Borkar; J. S. Yadav; B. Sridhar; René Grée","Tandem Prins/Friedel-Crafts Cyclization for Stereoselective Synthesis of Heterotricyclic Systems","Journal of Organic Chemistry","2011","76","","7677","7690","10.1021/jo201027u","","x-ray","0.71073","MoKα","","0.0432","0.0392","","","0.1078","0.112","","","","","","1.023","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026601","12.988","0.002","9.8609","0.0015","13.352","0.002","90","","116.27","0.002","90","","1533.4","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4S,4aS,10bR)-4-(2-fluorophenyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo [f]isothiochromene","","- C19 H19 F S -","- C19 H19 F S -","- C76 H76 F4 S4 -","4","1","","B. V. Subba Reddy; Prashant Borkar; J. S. Yadav; B. Sridhar; René Grée","Tandem Prins/Friedel-Crafts Cyclization for Stereoselective Synthesis of Heterotricyclic Systems","Journal of Organic Chemistry","2011","76","","7677","7690","10.1021/jo201027u","","","0.71073","MoKα","","0.0471","0.0389","","","0.104","0.1106","","","","","","1.015","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026602","6.7734","0.0004","6.7395","0.0004","11.0228","0.0007","90","","99.636","0.003","90","","496.08","0.05","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C22 H28 O8 -","2","1","","Jan Štambaský; Vojtěch Kapras; Martin Štefko; Ondřej Kysilka; Michal Hocek; Andrei V. Malkov; Pavel Kočovský","A Modular Approach to Aryl-C-ribonucleosides via the Allylic Substitution and Ring-Closing Metathesis Sequence. A Stereocontrolled Synthesis of All Four α-/β- and d-/l-C-Nucleoside Stereoisomers","Journal of Organic Chemistry","2011","76","","7781","7803","10.1021/jo201110z","","","0.71073","MoKα","","0.0279","0.0273","","0.0704","0.0699","0.0704","","","","","","0.9544","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026603","6.763","0.006","6.781","0.004","11.095","0.011","90","","99.41","0.04","90","","502","0.7","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C22 H28 O8 -","2","1","","Jan Štambaský; Vojtěch Kapras; Martin Štefko; Ondřej Kysilka; Michal Hocek; Andrei V. Malkov; Pavel Kočovský","A Modular Approach to Aryl-C-ribonucleosides via the Allylic Substitution and Ring-Closing Metathesis Sequence. A Stereocontrolled Synthesis of All Four α-/β- and d-/l-C-Nucleoside Stereoisomers","Journal of Organic Chemistry","2011","76","","7781","7803","10.1021/jo201110z","","","0.71073","MoKα","","0.0409","0.0347","","0.0937","0.09","0.0937","","","","","","1.0041","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026604","8.5679","0.0008","9.5677","0.0009","26.71","0.003","91.99","0.005","92.44","0.005","105.731","0.004","2103.2","0.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H17 Br I N O3 S -","- C22 H17 Br I N O3 S -","- C88 H68 Br4 I4 N4 O12 S4 -","4","2","","Prasath Kothandaraman; Srinivasa Reddy Mothe; Sharon Si Min Toh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerizations of 1-(2-(Tosylamino)phenyl)prop-2-yn-1-ols to 1H-Indole-2-carbaldehydes and (E)-2-(Iodomethylene)indolin-3-ols","Journal of Organic Chemistry","2011","76","","7633","7640","10.1021/jo201208e","","","0.71073","MoKα","","0.061","0.038","","","0.0993","0.123","","","","","","1.027","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026605","7.68545","0.00015","16.9437","0.0003","9.7925","0.0002","90","","103.049","0.0012","90","","1242.25","0.04","277.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H10 O -","- C42 H20 O2 -","- C84 H40 O4 -","2","0.5","","Toru Amaya; Maiko Hifumi; Michiaki Okada; Yasutomo Shimizu; Toshiyuki Moriuchi; Kouji Segawa; Yoichi Ando; Toshikazu Hirao","Synthesis of Oxosumanenes through Benzylic Oxidation","Journal of Organic Chemistry","2011","76","","8049","8052","10.1021/jo2012412","","","1.54187","CuKα","","","0.0404","","","","0.1266","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026606","14.723","0.002","9.6367","0.0014","10.5485","0.0016","90","","118.305","0.003","90","","1317.7","0.3","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.1417","0.1405","","","0.344","0.3471","","","","","","1.666","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026607","6.8763","0.0004","8.0599","0.0005","9.6919","0.0005","69.981","0.001","73.382","0.001","68.996","0.001","462.92","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Cl N O3 -","- C8 H10 Cl N O3 -","- C16 H20 Cl2 N2 O6 -","2","1","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.0336","0.033","","","0.0928","0.0939","","","","","","1.145","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026608","5.043","0.0003","8.4238","0.0006","12.5243","0.0009","105.625","0.001","100.485","0.001","95.56","0.001","497.81","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Cl N O6 -","- C8 H8 Cl N O6 -","- C16 H16 Cl2 N2 O12 -","2","1","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.0351","0.0339","","","0.0936","0.0952","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026609","5.0962","0.0003","15.5577","0.001","11.4752","0.0008","90","","95.944","0.001","90","","904.92","0.1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 F6 N2 O4 P -","- C16 H15 F6 N2 O4 P -","- C32 H30 F12 N4 O8 P2 -","2","0.5","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.0493","0.0464","","","0.1221","0.1246","","","","","","1.047","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026610","10.244","0.003","9.692","0.009","13.701","0.015","90","","97.53","0.08","90","","1349","2","293","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H39 N O7 -","- C25 H39 N O7 -","- C50 H78 N2 O14 -","2","1","","Sylvain Dalençon; Ramzi Aït Youcef; Muriel Pipelier; Vincent Maisonneuve; Didier Dubreuil; François Huet; Stéphanie Legoupy","Asymmetric Synthesis of Cyclohexene Nucleoside Analogues","Journal of Organic Chemistry","2011","76","","8059","8063","10.1021/jo2012708","","","0.71069","MoKα","","0.0444","0.037","","","0.1139","0.1295","","","","","","1.216","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026611","13.5962","0.0002","9.71266","0.00013","14.3697","0.0002","90","","110.34","0.0018","90","","1779.27","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17.5 H18 Cl N3 O S -","- C17.5 H18 Cl N3 O S -","- C70 H72 Cl4 N12 O4 S4 -","4","2","","Hong Li; Junling Zhao; Lili Zeng; Wenhui Hu","Organocatalytic Asymmetric Domino Aza-Michael-Mannich Reaction: Synthesis of Tetrahydroimidazopyrimidine Derivatives","Journal of Organic Chemistry","2011","76","","8064","8069","10.1021/jo201301p","","","1.54184","CuKα","","0.058","0.0557","","","0.1662","0.1696","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026612","8.267","0.0006","10.4877","0.0007","14.6808","0.001","90","","102.9","0.001","90","","1240.73","0.15","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","AQ-PNA-imine","","","- C28 H26 N2 O8 -","- C28 H26 N2 O8 -","- C56 H52 N4 O16 -","2","1","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.0385","0.0327","","","0.0702","0.0729","","","","","","1.034","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026613","7.6426","0.0007","22.219","0.002","30.684","0.003","90","","90","","90","","5210.5","0.8","100","2","100","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","AQ-pyrrole-imine","","","- C32 H30 N2 O6 -","- C32 H30 N2 O6 -","- C256 H240 N16 O48 -","8","1","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.1129","0.0662","","","0.1742","0.2038","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026614","8.1074","0.0007","14.536","0.0012","14.9857","0.0013","102.455","0.001","90.541","0.001","104.692","0.001","1664.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[AQ-PNA-Ca](ClO4)2.CH2Cl2","","","- C29 H28 Ca Cl4 N2 O16 -","- C29 H28 Ca Cl4 N2 O16 -","- C58 H56 Ca2 Cl8 N4 O32 -","2","1","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.1051","0.074","","","0.1751","0.1948","","","","","","1.055","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026615","9.3014","0.0008","13.5621","0.0012","14.1567","0.0012","95.96","0.001","105.159","0.001","107.333","0.001","1613.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[AQ-PNA-Zn(H2O)6](ClO4)2.MeOH","","","- C58 H70 Cl2 N4 O32 Zn -","- C58 H70 Cl2 N4 O32 Zn -","- C58 H70 Cl2 N4 O32 Zn -","1","0.5","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.0614","0.0478","","","0.1279","0.1365","","","","","","1.05","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026616","6.7216","0.0003","12.7333","0.0006","22.619","0.0009","96.252","0.004","95.176","0.003","98.664","0.004","1891.21","0.15","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","2","","Christopher C. Nawrat; William Lewis; Christopher J. Moody","Synthesis of Amino-1,4-benzoquinones and Their Use in Diels-Alder Approaches to the Aminonaphthoquinone Antibiotics","Journal of Organic Chemistry","2011","76","","7872","7881","10.1021/jo201320g","","","1.5418","CuKα","","0.0652","0.0417","","","0.1025","0.1095","","","","","","1.033","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026617","12.2643","0.001","12.6227","0.001","12.7582","0.0011","63.662","0.001","64.383","0.001","67.539","0.001","1551.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N O8 -","- C34 H44 N O8 -","- C68 H88 N2 O16 -","2","1","","Alexey Yu. Sukhorukov; Yaroslav D. Boyko; Sema L. Ioffe; Yulia A. Khomutova; Yulia V. Nelyubina; Vladimir A. Tartakovsky","Synthesis of PDE IVb Inhibitors. 1. Asymmetric Synthesis and Stereochemical Assignment of (+)- and (-)-7-[3-(Cyclopentyloxy)-4-methoxyphenyl]hexahydro-3H-pyrrolizin-3-one","Journal of Organic Chemistry","2011","76","","7893","7900","10.1021/jo201331h","","","0.71073","MoKα","","0.0701","0.0542","","","0.1655","0.1761","","","","","","1.173","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026618","35.0455","0.0006","12.5496","0.0002","19.7679","0.0003","90","","100.514","0.001","90","","8548.1","0.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C103 H106.5 Cl2 Fe2 O0.25 P2 Pd2 -","- C103 H106.5 Cl2 Fe2 O0.25 P2 Pd2 -","- C412 H426 Cl8 Fe8 O P8 Pd8 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.1305","0.071","","","0.1491","0.1712","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026619","13.6434","0.0002","12.8194","0.0002","28.0436","0.0006","90","","94.574","0.001","90","","4889.21","0.15","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 Cl Fe O P Pd -","- C54 H58 Cl Fe O P Pd -","- C216 H232 Cl4 Fe4 O4 P4 Pd4 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.0705","0.0523","","","0.1237","0.1346","","","","","","1.072","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026620","19.8783","0.0003","13.281","0.0002","20.8125","0.0003","90","","117.685","0.001","90","","4865.53","0.13","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H58 Cl3 Fe P Pd -","- C58 H58 Cl3 Fe P Pd -","- C232 H232 Cl12 Fe4 P4 Pd4 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.1187","0.0743","","","0.1859","0.2139","","","","","","1.053","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026621","46.1658","0.0007","9.0679","0.0001","16.6947","0.0003","90","","97.287","0.001","90","","6932.4","0.18","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H63 Br P2 Pd2 -","- C29 H63 Br P2 Pd2 -","- C232 H504 Br8 P16 Pd16 -","8","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.138","0.1222","","","0.323","0.3304","","","","","","1.134","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026622","11.0812","0.0001","21.903","0.0002","18.6529","0.0002","90","","106.809","0.001","90","","4333.84","0.08","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H70 Cl3 N2 P2 Pd2 -","- C39 H70 Cl3 N2 P2 Pd2 -","- C156 H280 Cl12 N8 P8 Pd8 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.0819","0.0542","","","0.1582","0.177","","","","","","1.025","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026623","11.0675","0.0002","21.9913","0.0005","18.8256","0.0004","90","","106.785","0.001","90","","4386.73","0.16","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H70 Br Cl2 N2 P2 Pd2 -","- C39 H70 Br Cl2 N2 P2 Pd2 -","- C156 H280 Br4 Cl8 N8 P8 Pd8 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.0769","0.0451","","","0.1363","0.1419","","","","","","1.014","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026624","10.047","0.002","17.143","0.004","11.731","0.003","90","","112.708","0.003","90","","1863.9","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Jake R. Zimmerman; Madhuri Manpadi; Russell Spatney; Aaron Baker","Diastereoselective Tin-Free Tandem Radical Additions to 3-Formylchromones","Journal of Organic Chemistry","2011","76","","8076","8081","10.1021/jo201350w","","x-ray","0.71073","MoKα","","0.0577","0.039","","","0.0888","0.0989","","","","","","1.029","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026625","9.492","0.0002","24.5859","0.0006","7.0468","0.0002","90","","106.572","0.001","90","","1576.2","0.07","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 O5 -","- C22 H12 O5 -","- C88 H48 O20 -","4","1","","Jalindar Padwal; William Lewis; Christopher J. Moody","Synthesis of Balsaminone A, a Naturally Occurring Pentacyclic Dinaphthofuran Quinone","Journal of Organic Chemistry","2011","76","","8082","8087","10.1021/jo201395n","","","0.71073","MoKα","","0.0477","0.0455","","","0.1158","0.1175","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026626","4.47983","0.00016","16.7729","0.0006","29.5976","0.0012","90","","90","","90","","2223.96","0.14","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H19 N O5 -","- C30 H19 N O5 -","- C120 H76 N4 O20 -","4","1","","Jalindar Padwal; William Lewis; Christopher J. Moody","Synthesis of Balsaminone A, a Naturally Occurring Pentacyclic Dinaphthofuran Quinone","Journal of Organic Chemistry","2011","76","","8082","8087","10.1021/jo201395n","","","1.5418","CuKα","","0.0528","0.0472","","","0.127","0.131","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026627","9.7389","0.0002","9.7389","0.0002","20.8131","0.0003","90","","90","","90","","1974.04","0.06","291","2","291","2","","","","","","","","4","P 43","P 4cw","78","","","","- C25 H22 O S -","- C25 H22 O S -","- C100 H88 O4 S4 -","4","1","","Zhen-Tao Weng; Yuan Li; Shi-Kai Tian","Catalytic Asymmetric α-Alkylation of Ketones and Aldehydes with N-Benzylic Sulfonamides through Carbon-Nitrogen Bond Cleavage","Journal of Organic Chemistry","2011","76","","8095","8099","10.1021/jo2014142","","","0.71073","MoKα","","0.0472","0.0367","","","0.071","0.0749","","","","","","1.071","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026628","13.9956","0.00018","12.47921","0.00018","18.4248","0.0002","90","","95.152","0.0012","90","","3204.96","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H13 B F21 N -","- C36 H13 B F21 N -","- C144 H52 B4 F84 N4 -","4","1","","Michael T. Scerba; Christopher M. Leavitt; Matthew E. Diener; Andrew F. DeBlase; Timothy L. Guasco; Maxime A. Siegler; Nathaniel Bair; Mark A. Johnson; Thomas Lectka","NH±F Hydrogen Bonding in a Fluorinated ""Proton Sponge"" Derivative: Integration of Solution, Solid-State, Gas-Phase, and Computational Studies","Journal of Organic Chemistry","2011","76","","7975","7984","10.1021/jo2015328","","","0.71073","MoKα","","0.0423","0.0288","","","0.0715","0.0742","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026629","7.0024","0.00017","19.7499","0.0003","10.8637","0.0003","90","","107.618","0.002","90","","1431.94","0.06","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 F4 N O3 S -","- C13 H13 F4 N O3 S -","- C52 H52 F16 N4 O12 S4 -","4","1","","Michael T. Scerba; Christopher M. Leavitt; Matthew E. Diener; Andrew F. DeBlase; Timothy L. Guasco; Maxime A. Siegler; Nathaniel Bair; Mark A. Johnson; Thomas Lectka","NH±F Hydrogen Bonding in a Fluorinated ""Proton Sponge"" Derivative: Integration of Solution, Solid-State, Gas-Phase, and Computational Studies","Journal of Organic Chemistry","2011","76","","7975","7984","10.1021/jo2015328","","","0.71073","MoKα","","0.0507","0.0367","","","0.0957","0.0993","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026630","11.7228","0.0003","8.8692","0.0002","19.6265","0.0005","90","","92.392","0.002","90","","2038.83","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H7 B Br6 F2 N2 O -","- C16 H7 B Br6 F2 N2 O -","- C64 H28 B4 Br24 F8 N8 O4 -","4","1","","Vellanki Lakshmi; Mangalampalli Ravikanth","Synthesis of Sterically Crowded Polyarylated Boron-Dipyrromethenes","Journal of Organic Chemistry","2011","76","","8466","8471","10.1021/jo2010022","","","0.71073","MoKα","","0.0483","0.0379","","","0.0954","0.0968","","","","","","1.082","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026631","11.0139","0.0016","12.3936","0.0018","15.85","0.002","94.355","0.012","105.382","0.013","108.271","0.013","1950.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H37 B F2 N2 O -","- C52 H37 B F2 N2 O -","- C104 H74 B2 F4 N4 O2 -","2","1","","Vellanki Lakshmi; Mangalampalli Ravikanth","Synthesis of Sterically Crowded Polyarylated Boron-Dipyrromethenes","Journal of Organic Chemistry","2011","76","","8466","8471","10.1021/jo2010022","","","0.71073","MoKα","","0.1837","0.0483","","","0.0885","0.1099","","","","","","0.658","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026632","10.1147","0.0002","15.1214","0.0002","17.1572","0.0003","90","","90","","90","","2624.17","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl3 N3 O2 -","- C26 H30 Cl3 N3 O2 -","- C104 H120 Cl12 N12 O8 -","4","1","","Emmanuel Riguet","Enantioselective Organocatalytic Friedel-Crafts Alkylation Reaction of Indoles with 5-Hydroxyfuran-2(5H)-one: Access to Chiral γ-Lactones and γ-Lactams via a Ugi 4-Center 3-Component Reaction","Journal of Organic Chemistry","2011","76","","8143","8150","10.1021/jo201184p","","","1.5418","CuKα","","0.0471","0.0407","","","0.1016","0.1071","","","","","","1.033","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026633","9.7843","0.0004","9.8972","0.0003","15.4313","0.0006","72.086","0.002","79.301","0.002","70.5","0.002","1334.57","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0746","0.037","","","0.0781","0.1009","","","","","","0.802","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026634","13.6037","0.001","11.6379","0.0009","7.3569","0.0004","90","","90","","90","","1164.73","0.14","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0504","0.0312","","","0.0562","0.0582","","","","","","0.856","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026635","6.6242","0.0002","21.6424","0.0006","8.2186","0.0003","90","","104.05","0.001","90","","1143","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0319","0.0227","","","0.0511","0.0523","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026636","7.4166","0.0006","6.8485","0.0007","20.6409","0.0016","90","","100.035","0.005","90","","1032.37","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.097","0.0445","","","0.0945","0.1158","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026637","24.9655","0.001","3.8349","0.0001","26.7584","0.001","90","","115.488","0.005","90","","2312.52","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N6 O4 -","- C26 H22 N6 O4 -","- C104 H88 N24 O16 -","4","0.5","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0605","0.0418","","","0.1083","0.1121","","","","","","0.938","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026638","24.398","0.004","3.8017","0.0006","26.608","0.004","90","","113.302","0.006","90","","2266.7","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C96 H88 N24 O32 -","8","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.1106","0.078","","","0.2111","0.2312","","","","","","1.131","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026639","27.454","0.002","13.7918","0.0012","6.666","0.0006","90","","98.678","0.003","90","","2495.1","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C120 H104 N24 O8 -","8","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.236","0.1095","","","0.2136","0.2988","","","","","","1.032","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026640","15.851","0.0003","31.365","0.001","13.622","0.0004","90","","119.405","0.001","90","","5899.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 N6 O8.5 -","- C26 H37 N6 O8.5 -","- C208 H296 N48 O68 -","8","1","","Felipe Reviriego; Pilar Navarro; Vicente J. Arán; Maria Luisa Jimeno; Enrique García-España; Julio Latorre; Maria J. R. Yunta","Hydrogen-Bond-Mediated Self-Assembly of 26-Membered Diaza Tetraester Crowns of 3,5-Disubstituted 1H-Pyrazole. Dimerization Study in the Solid State and in CDCl3 Solution","Journal of Organic Chemistry","2011","76","","8223","8231","10.1021/jo2012835","","","0.71073","MoKα","","0.0972","0.0569","","","0.168","0.2075","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026641","13.107","0.0002","13.107","0.0002","30.351","0.0007","90","","90","","90","","5214.1","0.16","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","pzmet","","","- C22 H29 N7 O8 -","- C22 H29 N7 O8 -","- C176 H232 N56 O64 -","8","0.5","","Felipe Reviriego; Pilar Navarro; Vicente J. Arán; Maria Luisa Jimeno; Enrique García-España; Julio Latorre; Maria J. R. Yunta","Hydrogen-Bond-Mediated Self-Assembly of 26-Membered Diaza Tetraester Crowns of 3,5-Disubstituted 1H-Pyrazole. Dimerization Study in the Solid State and in CDCl3 Solution","Journal of Organic Chemistry","2011","76","","8223","8231","10.1021/jo2012835","","","0.71073","MoKα","","0.0979","0.0584","","","0.1892","0.2266","","","","","","1.047","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026642","3.9864","0.0003","21.6026","0.0015","17.7499","0.0014","90","","93.004","0.005","90","","1526.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","James J. Mousseau; James A. Bull; Carolyn L. Ladd; Angélique Fortier; Daniela Sustac Roman; André B. Charette","Synthesis of 2- and 2,3-Substituted Pyrazolo[1,5-a]pyridines: Scope and Mechanistic Considerations of a Domino Direct Alkynylation and Cyclization of N-Iminopyridinium Ylides Using Alkenyl Bromides, Alkenyl Iodides, and Alkynes","Journal of Organic Chemistry","2011","76","","8243","8261","10.1021/jo201303x","","","1.54178","CuKα","","0.0724","0.0586","","","0.1396","0.1519","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026643","15.86","0.003","10.73","0.002","5.8704","0.0012","90","","90","","90","","999","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","3","P n a 21","P 2c -2n","33","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C52 H40 N8 -","4","1","","James J. Mousseau; James A. Bull; Carolyn L. Ladd; Angélique Fortier; Daniela Sustac Roman; André B. Charette","Synthesis of 2- and 2,3-Substituted Pyrazolo[1,5-a]pyridines: Scope and Mechanistic Considerations of a Domino Direct Alkynylation and Cyclization of N-Iminopyridinium Ylides Using Alkenyl Bromides, Alkenyl Iodides, and Alkynes","Journal of Organic Chemistry","2011","76","","8243","8261","10.1021/jo201303x","","","1.54178","CuKα","","0.1578","0.12","","","0.3536","0.3807","","","","","","1.574","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026644","9.5579","0.0019","14.88","0.003","23.185","0.005","90","","90","","90","","3297.4","1.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H38 N6 -","- C40 H38 N6 -","- C160 H152 N24 -","4","0.5","","Brian S. Young; Felix Köhler; Rainer Herges; Michael M. Haley","Phenanthrene-Fused Azo-ene-ynes: Synthesis of Dibenzo[f,h]cinnoline and Dibenzo[e,g]isoindazole Derivatives","Journal of Organic Chemistry","2011","76","","8483","8487","10.1021/jo201378t","","","0.71073","MoKα","","0.0607","0.0433","","","0.0992","0.1104","","","","","","1.045","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026645","9.9417","0.0008","18.6076","0.0015","10.4831","0.0008","90","","118.057","0.003","90","","1711.4","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H30 F6 N P2 Pd Sb -","- C35 H30 F6 N P2 Pd Sb -","- C70 H60 F12 N2 P4 Pd2 Sb2 -","2","1","","Raju Ghosh; Amitabha Sarkar","Palladium-Catalyzed Amination of Allyl Alcohols","Journal of Organic Chemistry","2011","76","","8508","8512","10.1021/jo2014438","","","0.71073","MoKα","","0.0314","0.0282","","","0.069","0.071","","","","","","1.017","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026646","8.7688","0.001","9.716","0.0011","12.439","0.0014","90","","110.073","0.002","90","","995.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O7 -","- C20 H27 N O7 -","- C40 H54 N2 O14 -","2","1","","Wenxin Gu; Richard B. Silverman","Stereospecific Total Syntheses of Proteasome Inhibitors Omuralide and Lactacystin","Journal of Organic Chemistry","2011","76","","8287","8293","10.1021/jo201453x","","","0.71073","MoKα","","0.0587","0.0442","","","0.095","0.1024","","","","","","1.074","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026647","8.1023","0.0012","28.568","0.005","7.1293","0.0011","90","","99.235","0.011","90","","1628.8","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-(9H-carbazol-9-yl)phenyl}-5-methyl-1,3,4-oxadiazole","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0617","0.0439","","","0.1007","0.1096","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026648","10.5653","0.0009","15.6361","0.0013","17.4361","0.0015","90","","90","","90","","2880.4","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[4-(9H-carbazol-9-yl)phenyl]-5-(2,4,6-triisopropylphenyl)-1,3,4-oxadiazole","","- C35 H35 N3 O -","- C35 H35 N3 O -","- C140 H140 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0445","0.0392","","","0.0953","0.0986","","","","","","1.048","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026649","11.8018","0.0017","8.7725","0.0013","30.605","0.005","90","","90","","90","","3168.6","0.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-{4-(9H-carbazol-9-yl)phenyl}-5-(2,4,6-tert-butylphenyl)-1,3,4-oxadiazole","","- C38 H41 N3 O -","- C38 H41 N3 O -","- C152 H164 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0681","0.0529","","","0.1119","0.1186","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026650","18.1747","0.0011","9.1474","0.0006","17.9815","0.0013","90","","96.331","0.014","90","","2971.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-(9H-carbazol-9-yl)-3-methylphenyl}-5-(2,4,6-triisopropylphenyl) -1,3,4-oxadiazole","","- C36 H37 N3 O -","- C36 H37 N3 O -","- C144 H148 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0915","0.0415","","","0.0825","0.0966","","","","","","0.868","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026651","5.3312","0.0004","15.3388","0.0008","23.7807","0.0013","90","","92.891","0.003","90","","1942.2","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N2 O7 P -","- C18 H21 N2 O7 P -","- C72 H84 N8 O28 P4 -","4","2","","Bruce S. Ross; P. Ganapati Reddy; Hai-Ren Zhang; Suguna Rachakonda; Michael J. Sofia","Synthesis of Diastereomerically Pure Nucleotide Phosphoramidates","Journal of Organic Chemistry","2011","76","","8311","8319","10.1021/jo201492m","","","0.71073","MoKα","","0.0963","0.0847","","","0.1899","0.1963","","","","","","1.119","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026652","5.2641","0.0006","12.0548","0.0013","16.4307","0.0015","74.96","0.004","83.959","0.004","80.275","0.004","990.4","0.18","143","1","143","1","","","","","","","","6","P 1","P 1","1","","","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","Bruce S. Ross; P. Ganapati Reddy; Hai-Ren Zhang; Suguna Rachakonda; Michael J. Sofia","Synthesis of Diastereomerically Pure Nucleotide Phosphoramidates","Journal of Organic Chemistry","2011","76","","8311","8319","10.1021/jo201492m","","","0.71073","MoKα","","0.0284","0.0259","","","0.0609","0.0621","","","","","","1.04","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026653","14.795","0.003","11.112","0.003","27.233","0.006","90","","105.434","0.003","90","","4315.7","1.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 O4 -","- C58 H48 O4 -","- C232 H192 O16 -","4","0.5","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.0801","0.0504","","","0.1224","0.1356","","","","","","1.045","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026654","12.132","0.003","12.907","0.003","28.247","0.007","90","","97.553","0.003","90","","4384.8","1.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 O2 -","- C58 H52 O2 -","- C232 H208 O8 -","4","0.5","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.1027","0.0672","","","0.1638","0.1898","","","","","","1.034","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026655","12.2535","0.0015","12.9462","0.0016","17.695","0.002","107.875","0.001","102.618","0.001","104.479","0.001","2450.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64.9 H44.4 Cl1.4 O5.3 -","- C64.9 H44.4 Cl1.4 O5.3 -","- C129.8 H88.8 Cl2.8 O10.6 -","2","1","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.0709","0.0528","","","0.1274","0.1405","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026656","17.069","0.003","17.705","0.003","18.548","0.005","96.854","0.003","103.899","0.003","117.17","0.002","4667.5","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C103.5 H87 Cl9 O10.5 -","- C103.5 H87 Cl9 O10.5 -","- C207 H174 Cl18 O21 -","2","1","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.1061","0.0828","","","0.2385","0.2577","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026657","6.149","0.006","16.414","0.016","16.807","0.016","90","","98.426","0.011","90","","1678","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Fang Yang; Ke-Gong Ji; Shaukat Ali; Yong-Min Liang","Sc(OTf)3-Catalyzed Synthesis of Indoles and SnCl4-Mediated Regioselective Hydrochlorination of 5-(Arylamino)pent-3-yn-2-ones","Journal of Organic Chemistry","2011","76","","8329","8335","10.1021/jo201514q","","","0.71073","MoKα","","0.0867","0.0492","","","0.1085","0.1263","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026658","9.299","0.006","26.824","0.018","8.234","0.006","90","","97.284","0.007","90","","2037","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl2 N O -","- C23 H19 Cl2 N O -","- C92 H76 Cl8 N4 O4 -","4","1","","Fang Yang; Ke-Gong Ji; Shaukat Ali; Yong-Min Liang","Sc(OTf)3-Catalyzed Synthesis of Indoles and SnCl4-Mediated Regioselective Hydrochlorination of 5-(Arylamino)pent-3-yn-2-ones","Journal of Organic Chemistry","2011","76","","8329","8335","10.1021/jo201514q","","","0.71073","MoKα","","0.1048","0.0546","","","0.1219","0.1499","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026659","7.0335","0.0005","35.053","0.002","8.2257","0.0006","90","","106.305","0.005","90","","1946.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl2 N O2 S -","- C19 H19 Cl2 N O2 S -","- C76 H76 Cl8 N4 O8 S4 -","4","1","","Zenghui Lu; Wei Kong; Zheliang Yuan; Xueyan Zhao; Gangguo Zhu","Synthesis of Multisubstituted Enamides via Pd-Catalyzed Chloroallylation of Ynamides","Journal of Organic Chemistry","2011","76","","8524","8529","10.1021/jo2015278","","","0.71073","MoKα","","0.1072","0.0497","","","0.1122","0.1288","","","","","","1.036","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026660","10.03","0.006","19.181","0.012","8.34","0.005","90","","90","","90","","1604.5","1.7","295","1","295","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H23 N3 O -","- C16 H23 N3 O -","- C64 H92 N12 O4 -","4","1","","Francisco Alonso; Yanina Moglie; Gabriel Radivoy; Miguel Yus","Multicomponent Click Synthesis of 1,2,3-Triazoles from Epoxides in Water Catalyzed by Copper Nanoparticles on Activated Carbon","Journal of Organic Chemistry","2011","76","","8394","8405","10.1021/jo2016339","","","0.71073","MoKα","","0.0876","0.05","","","0.1299","0.1574","","","","","","1.029","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026661","16.039","0.004","5.6742","0.0014","19.697","0.005","90","","90.295","0.004","90","","1792.6","0.8","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Francisco Alonso; Yanina Moglie; Gabriel Radivoy; Miguel Yus","Multicomponent Click Synthesis of 1,2,3-Triazoles from Epoxides in Water Catalyzed by Copper Nanoparticles on Activated Carbon","Journal of Organic Chemistry","2011","76","","8394","8405","10.1021/jo2016339","","","0.71073","MoKα","","0.2349","0.0886","","","0.1531","0.2016","","","","","","1.006","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026662","8.6956","0.0015","5.5642","0.0009","17.425","0.003","90","","92.439","0.004","90","","842.3","0.2","295","1","295","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C34 H34 N6 O6 S2 -","2","1","","Francisco Alonso; Yanina Moglie; Gabriel Radivoy; Miguel Yus","Multicomponent Click Synthesis of 1,2,3-Triazoles from Epoxides in Water Catalyzed by Copper Nanoparticles on Activated Carbon","Journal of Organic Chemistry","2011","76","","8394","8405","10.1021/jo2016339","","","0.71073","MoKα","","0.0961","0.0479","","","0.0809","0.0948","","","","","","0.971","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026663","17.5229","0.0003","15.4122","0.0003","21.8343","0.0004","90","","102.511","0.0008","90","","5756.69","0.18","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C124 H158 B2 N4 Na2 O9 -","- C124 H158 B2 N4 Na2 O9 -","- C248 H316 B4 N8 Na4 O18 -","2","0.5","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1031","0.0657","","","0.1719","0.1967","","","","","","1.049","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026664","17.5568","0.0004","14.9417","0.0002","21.8429","0.0005","90","","103.182","0.0008","90","","5579","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H148 B2 N6 Na2 O7 -","- C120 H148 B2 N6 Na2 O7 -","- C240 H296 B4 N12 Na4 O14 -","2","0.5","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1259","0.0661","","","0.1612","0.1944","","","","","","1.027","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026665","9.843","0.0002","24.0388","0.0005","12.5088","0.0003","90","","99.4843","0.0008","90","","2919.3","0.11","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H80 B Li N2 O5 -","- C64 H80 B Li N2 O5 -","- C128 H160 B2 Li2 N4 O10 -","2","1","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1085","0.066","","","0.154","0.1779","","","","","","1.019","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026666","13.9077","0.0002","14.6294","0.0002","14.6476","0.0003","67.2543","0.0005","74.2008","0.0006","72.7007","0.0005","2581.91","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C112 H134 B2 Li2 N6 O8 -","- C112 H134 B2 Li2 N6 O8 -","- C112 H134 B2 Li2 N6 O8 -","1","0.5","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1137","0.0669","","","0.1633","0.1869","","","","","","1.031","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026667","10.7435","0.0002","11.5651","0.0002","22.3115","0.0005","90","","90","","90","","2772.2","0.09","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N5 O4 -","- C26 H43 N5 O4 -","- C104 H172 N20 O16 -","4","1","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.0624","0.0431","","","0.0871","0.0956","","","","","","1.038","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026668","7.1044","0.0003","11.6958","0.0005","13.3132","0.0005","84.733","0.004","83.587","0.004","79.155","0.003","1076.82","0.08","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Compound 10a","quinoxalino[2,3-c]cinnoline-5-N-oxide","","- C14 H8 N4 O -","- C14 H8 N4 O -","- C56 H32 N16 O4 -","4","2","","Makhluf J. Haddadin; Mirna El-Khatib; Tharallah A. Shoker; Christine M. Beavers; Marilyn M. Olmstead; James C. Fettinger; Kelli M. Farber; Mark J. Kurth","Quinoxalino[2,3-c]cinnolines and Their 5-N-Oxide: Alkoxylation of Methyl-Substituted Quinoxalino[2,3-c]cinnolines to Acetals and Orthoesters","Journal of Organic Chemistry","2011","76","","8421","8427","10.1021/jo201687x","","","0.71073","MoKα","","0.0487","0.043","","","0.1264","0.1305","","","","","","1.043","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026669","28.7457","0.0018","11.6165","0.0008","4.2085","0.0003","90","","90","","90","","1405.32","0.16","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","Compound 11","10-(Dimethoxymethyl)quinoxalino[2,3-c]cinnoline","","- C17 H14 N4 O2 -","- C17 H14 N4 O2 -","- C68 H56 N16 O8 -","4","1","","Makhluf J. Haddadin; Mirna El-Khatib; Tharallah A. Shoker; Christine M. Beavers; Marilyn M. Olmstead; James C. Fettinger; Kelli M. Farber; Mark J. Kurth","Quinoxalino[2,3-c]cinnolines and Their 5-N-Oxide: Alkoxylation of Methyl-Substituted Quinoxalino[2,3-c]cinnolines to Acetals and Orthoesters","Journal of Organic Chemistry","2011","76","","8421","8427","10.1021/jo201687x","","","1.54178","CuKα","","0.0478","0.0454","","","0.129","0.1314","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026670","7.2268","0.0003","9.4022","0.0003","22.4907","0.0009","90","","90","","90","","1528.19","0.1","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Brett D. Schwartz; Lorenzo V. White; Martin G. Banwell; Anthony C. Willis","Structure of the Lycorinine Alkaloid Nobilisitine A","Journal of Organic Chemistry","2011","76","","8560","8563","10.1021/jo2016899","","","0.71073","MoKα","","0.0444","0.0341","","0.0811","0.0758","0.0811","","","","","","0.9969","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026671","8.4886","0.0002","12.6225","0.0003","19.7837","0.0003","90","","90","","90","","2119.77","0.08","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Brett D. Schwartz; Lorenzo V. White; Martin G. Banwell; Anthony C. Willis","Structure of the Lycorinine Alkaloid Nobilisitine A","Journal of Organic Chemistry","2011","76","","8560","8563","10.1021/jo2016899","","","0.71073","MoKα","","0.0412","0.035","","0.0911","0.0868","0.0911","","","","","","0.9907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026672","24.92","0.002","13.8734","0.0017","19.672","0.002","90","","112.722","0.004","90","","6273.3","1.1","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H41 Cl3 N2 O2 -","- C33.5 H41 Cl3 N2 O2 -","- C268 H328 Cl24 N16 O16 -","8","2","","Andrzej Rajca; Kouichi Shiraishi; Przemysław J. Boratyński; Maren Pink; Makoto Miyasaka; Suchada Rajca","Oxidation of Annelated Diarylamines: Analysis of Reaction Pathways to Nitroxide Diradical and Spirocyclic Products","Journal of Organic Chemistry","2011","76","","8447","8457","10.1021/jo2017923","","","0.49595","synchrotron","","0.0765","0.0546","","","0.1353","0.147","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026673","11.1555","0.0004","12.8987","0.0004","15.0353","0.0006","108.133","0.003","98.064","0.003","97.899","0.003","1997.62","0.13","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C26 H22 -","- C26 H22 -","- C104 H88 -","4","2","","Irena Škorić; Ilijana Kikaš; Margit Kovács; Lajos Fodor; Željko Marinić; Krešimir Molčanov; Biserka Kojić-Prodić; Ottó Horváth","Synthesis, Photochemistry, and Photophysics of Butadiene Derivatives: Influence of the Methyl Group on the Molecular Structure and Photoinduced Behavior","Journal of Organic Chemistry","2011","76","","8641","8657","10.1021/jo200691x","","x-ray","1.54184","CuKα","","","0.0614","","","","0.2033","","","","","","1.086","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026674","9.6388","0.0009","18.4702","0.0009","13.1278","0.001","90","","110.976","0.01","90","","2182.3","0.3","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 -","- C28 H26 -","- C112 H104 -","4","0.5","","Irena Škorić; Ilijana Kikaš; Margit Kovács; Lajos Fodor; Željko Marinić; Krešimir Molčanov; Biserka Kojić-Prodić; Ottó Horváth","Synthesis, Photochemistry, and Photophysics of Butadiene Derivatives: Influence of the Methyl Group on the Molecular Structure and Photoinduced Behavior","Journal of Organic Chemistry","2011","76","","8641","8657","10.1021/jo200691x","","x-ray","1.54179","CuKα","","","0.0511","","","","0.1564","","","","","","1.084","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026675","7.331","0.005","3.716","0.002","12.129","0.008","90","","98.475","0.01","90","","326.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N2 O2 -","- C8 H4 N2 O2 -","- C16 H8 N4 O4 -","2","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.0718","0.0644","","","0.1627","0.167","","","","","","1.16","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026676","7.458","0.008","4.364","0.005","15.876","0.016","90","","92.02","0.02","90","","516.4","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Cl2 N2 O2 -","- C10 H6 Cl2 N2 O2 -","- C20 H12 Cl4 N4 O4 -","2","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.0805","0.0504","","","0.1241","0.1376","","","","","","1.063","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026677","6.252","0.004","9.238","0.006","11.558","0.009","71.503","0.016","74.739","0.016","82.347","0.017","609.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O2 Si2 -","- C24 H26 N2 O2 Si2 -","- C24 H26 N2 O2 Si2 -","1","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.112","0.0914","","","0.2511","0.2706","","","","","","1.067","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026678","17.767","0.002","4.3191","0.0006","17.551","0.002","90","","117.518","0.002","90","","1194.4","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Jef14","","","- C10 H4 Cl4 N2 O2 -","- C10 H4 Cl4 N2 O2 -","- C40 H16 Cl16 N8 O8 -","4","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.0274","0.025","","","0.0663","0.0684","","","","","","1.069","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026679","10.1084","0.0003","17.3007","0.0005","39.0695","0.0013","90","","90","","90","","6832.6","0.4","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C288 H480 O48 -","24","6","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0574","0.054","","","0.1383","0.1405","","","","","","1.087","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026680","6.6164","0.0002","8.4025","0.0002","23.1972","0.0007","90","","90","","90","","1289.63","0.06","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0287","0.028","","","0.0732","0.074","","","","","","1.06","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026681","15.55","0.0009","10.1305","0.0006","20.3828","0.0013","90","","91.958","0.005","90","","3209","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H30 O2 -","- C17 H30 O2 -","- C136 H240 O16 -","8","4","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0504","0.0441","","","0.1013","0.1045","","","","","","1.044","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026682","6.3839","0.0004","7.5086","0.0002","19.412","0.0005","90","","96.46","0.004","90","","924.59","0.07","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br N2 O -","- C22 H19 Br N2 O -","- C44 H38 Br2 N4 O2 -","2","1","","Xing Chen; Yongsheng Zheng; Chang Shu; Weicheng Yuan; Bo Liu; Xiaomei Zhang","Enantioselective Synthesis of 4-Substituted 4,5-Dihydro-1H-[1,5]benzodiazepin-2(3H)-ones by the Lewis Base-Catalyzed Hydrosilylation","Journal of Organic Chemistry","2011","76","","9109","9115","10.1021/jo201334n","","","1.54184","CuKα","","0.0375","0.0366","","","0.1014","0.1023","","","","","","1.067","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026683","43.124","0.004","6.6863","0.001","28.0461","0.0003","90","","119.472","0.001","90","","7040.3","1.2","150","2","150","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 N9 O9 -","- C33 H39 N9 O9 -","- C264 H312 N72 O72 -","8","1","","Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel","Z/E Isomerism in Nα-Nα-Disubstituted Hydrazides and the Amidoxy Bond: Application to the Conformational Analysis of Pseudopeptides Built of Hydrazinoacids and α-Aminoxyacids","Journal of Organic Chemistry","2011","76","","8756","8767","10.1021/jo201390b","","x-ray","0.71069","MoKα","","0.0887","0.0702","","","0.1798","0.1905","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026684","7.9242","0.0002","15.6107","0.0003","10.0393","0.0002","90","","105.906","0.001","90","","1194.34","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N3 O2 -","- C11 H15 N3 O2 -","- C44 H60 N12 O8 -","4","1","","Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel","Z/E Isomerism in Nα-Nα-Disubstituted Hydrazides and the Amidoxy Bond: Application to the Conformational Analysis of Pseudopeptides Built of Hydrazinoacids and α-Aminoxyacids","Journal of Organic Chemistry","2011","76","","8756","8767","10.1021/jo201390b","","","0.71069","MoKα","","0.061","0.0442","","","0.1129","0.1238","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026685","10.0389","0.0012","11.3271","0.0016","16.24","0.002","90","","91.606","0.005","90","","1846","0.4","110","2","110","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H20 Br3 O2 -","- C18 H20 Br3 O2 -","- C72 H80 Br12 O8 -","4","1","","Takashi Takeda; Koji Inukai; Kazukuni Tahara; Yoshito Tobe","Electrophilic Transannular Cyclization of Octadehydrodibenzo[12]annulene Reexamined: Indication of the Formation of Both anti- and syn-Indenofluorenes","Journal of Organic Chemistry","2011","76","","9116","9121","10.1021/jo2014593","","x-ray","0.71073","MoKα","","0.054","0.0408","","","0.0952","0.1053","","","","","","1.075","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026686","10.9779","0.0001","19.52","0.0001","9.1673","0.0001","90","","110.605","0.001","90","","1838.78","0.03","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 N2 -","- C21 H16 Cl2 N2 -","- C84 H64 Cl8 N8 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0547","0.0434","","","0.101","0.108","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026687","13.459","0.0004","16.7106","0.0004","8.6917","0.0002","90","","95.875","0.001","90","","1944.56","0.09","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","0.71073","MoKα","","0.082","0.0624","","","0.1209","0.1333","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026688","12.3342","0.0004","16.1861","0.0007","13.6435","0.0005","90","","114.033","0.003","90","","2487.7","0.17","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N2 O1.5 -","- C28 H31 N2 O1.5 -","- C112 H124 N8 O6 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0814","0.0641","","","0.1706","0.1878","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026689","13.1146","0.0005","15.815","0.0006","12.5492","0.0004","90","","117.03","0.002","90","","2318.49","0.15","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C112 H120 N8 O12 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0489","0.0426","","","0.1071","0.1121","","","","","","1.045","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026690","14.1081","0.0002","20.1366","0.0003","15.4154","0.0002","90","","110.504","0.001","90","","4101.91","0.1","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O S2 -","- C22 H22 N2 O S2 -","- C176 H176 N16 O8 S16 -","8","2","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","0.71073","MoKα","","0.1027","0.0741","","","0.1651","0.1913","","","","","","1.047","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026691","8.6397","0.0003","31.307","0.0012","9.6178","0.0004","90","","97.778","0.002","90","","2577.52","0.17","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N2 O2 -","- C31 H34 N2 O2 -","- C124 H136 N8 O8 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0577","0.0481","","","0.125","0.1339","","","","","","1.036","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026692","10.8624","0.0005","13.2065","0.0007","13.302","0.0006","82.057","0.002","68.127","0.002","89.763","0.004","1751.54","0.15","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 Cl2 N2 -","- C21 H14 Cl2 N2 -","- C84 H56 Cl8 N8 -","4","2","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0703","0.0535","","","0.1314","0.1448","","","","","","1.028","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026693","10.2257","0.0002","12.2274","0.0002","27.451","0.0006","90","","90","","90","","3432.3","0.12","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Cl N3 -","- C43 H40 Cl N3 -","- C172 H160 Cl4 N12 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","0.71073","MoKα","","0.1037","0.0499","","","0.0972","0.1152","","","","","","1.01","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026694","11.499","0.0004","13.5445","0.0006","14.2813","0.0007","88.9","0.002","73.118","0.002","83.078","0.004","2112.62","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.3 H20.6 Cl0.6 N2 -","- C25.288 H20.576 Cl0.576 N2 -","- C101.152 H82.304 Cl2.304 N8 -","4","2","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0794","0.0661","","","0.1796","0.1939","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026695","20.1375","0.0009","11.4619","0.0003","19.8679","0.0005","90","","119.34","0.002","90","","3997.6","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cl4 N4 -","- C44 H40 Cl4 N4 -","- C176 H160 Cl16 N16 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0924","0.0707","","","0.1844","0.2047","","","","","","1.028","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026696","15.8321","0.0005","14.3899","0.0004","18.7392","0.0006","90","","96.97","0.001","90","","4237.7","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cl8 N4 -","- C44 H36 Cl8 N4 -","- C176 H144 Cl32 N16 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0533","0.0474","","","0.1245","0.1302","","","","","","1.028","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026697","16.203","0.0003","14.5941","0.0004","18.67","0.0007","90","","96.606","0.002","90","","4385.5","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Br4 Cl4 N4 -","- C44 H36 Br4 Cl4 N4 -","- C176 H144 Br16 Cl16 N16 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0485","0.0422","","","0.0987","0.1027","","","","","","1.059","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026698","12.9125","0.0015","6.3682","0.0008","13.7532","0.0017","90","","117.733","0.002","90","","1001","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","2","","Chengtang Du; Fulong Li; Xuefeng Zhang; Wenxiang Hu; Qizheng Yao; Ao Zhang","Lewis Acid Catalyzed Cyclization of Glycals/2-Deoxy-d-ribose with Arylamines: Additional Findings on Product Structure and Reaction Diastereoselectivity","Journal of Organic Chemistry","2011","76","","8833","8839","10.1021/jo2015483","","","0.71073","MoKα","","0.0432","0.0402","","","0.1028","0.1055","","","","","","1.09","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026699","5.983","0.0004","5.983","0.0004","46.449","0.004","90","","90","","120","","1439.94","0.18","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C66 H78 N6 O12 -","6","1","","Chengtang Du; Fulong Li; Xuefeng Zhang; Wenxiang Hu; Qizheng Yao; Ao Zhang","Lewis Acid Catalyzed Cyclization of Glycals/2-Deoxy-d-ribose with Arylamines: Additional Findings on Product Structure and Reaction Diastereoselectivity","Journal of Organic Chemistry","2011","76","","8833","8839","10.1021/jo2015483","","","0.71073","MoKα","","0.0587","0.0549","","","0.1451","0.1558","","","","","","1.309","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026700","12.0031","0.0013","23.616","0.003","28.157","0.003","90","","90","","90","","7981.5","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N5 O6 -","- C46 H43 N5 O6 -","- C368 H344 N40 O48 -","8","2","","Adjaci F. Uchoa; Kleber T. de Oliveira; Mauricio S. Baptista; Adailton J. Bortoluzzi; Yassuko Iamamoto; Osvaldo A. Serra","Chlorin Photosensitizers Sterically Designed To Prevent Self-Aggregation","Journal of Organic Chemistry","2011","76","","8824","8832","10.1021/jo201568n","","","0.71073","MoKα","","0.2681","0.1054","","","0.2588","0.3581","","","","","","0.95","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026701","5.5668","0.0008","8.5894","0.0013","27.73","0.004","90","","90","","90","","1325.9","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Dengfu Lu; Yirong Zhou; Yajun Li; Shaobai Yan; Yuefa Gong","Copper(II)-Catalyzed Asymmetric Henry Reaction of o-Alkynylbenzaldehydes Followed by Gold(I)-Mediated Cycloisomerization: An Enantioselective Route to Chiral 1H-Isochromenes and 1,3-Dihydroisobenzofurans","Journal of Organic Chemistry","2011","76","","8869","8878","10.1021/jo201596p","","","0.71073","MoKα","","0.1174","0.0683","","","0.097","0.1091","","","","","","1.024","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026702","4.8303","0.0009","19.076","0.003","16.995","0.003","90","","90.576","0.004","90","","1565.9","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.32 H1.94 N0.13 O0.52 -","- C2.32258 H1.93548 N0.129032 O0.516129 -","- C72 H60 N4 O16 -","31","15.5","","Dengfu Lu; Yirong Zhou; Yajun Li; Shaobai Yan; Yuefa Gong","Copper(II)-Catalyzed Asymmetric Henry Reaction of o-Alkynylbenzaldehydes Followed by Gold(I)-Mediated Cycloisomerization: An Enantioselective Route to Chiral 1H-Isochromenes and 1,3-Dihydroisobenzofurans","Journal of Organic Chemistry","2011","76","","8869","8878","10.1021/jo201596p","","","0.71073","MoKα","","0.1066","0.0671","","","0.1345","0.1522","","","","","","1.012","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026703","5.649","0.004","11.099","0.006","18.312","0.014","88.81","0.03","84.98","0.03","85.27","0.02","1139.7","1.3","296.1","","296.1","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 I O6 S -","- C21 H23 I O6 S -","- C42 H46 I2 O12 S2 -","2","1","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0426","","","","0.075","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026704","15.499","0.016","5.735","0.008","19.515","0.02","90","","94.85","0.03","90","","1728","3","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 I O3 -","- C17 H20 I O3 -","- C68 H80 I4 O12 -","4","1","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0468","","","","0.0716","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026705","9.079","0.008","10.357","0.008","17.832","0.018","99.63","0.03","94.03","0.04","89.28","0.03","1649","3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 I O3 -","- C17 H15 I O3 -","- C68 H60 I4 O12 -","4","2","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0378","","","","0.0472","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026706","5.967","0.005","14.634","0.016","19.764","0.018","90","","98.93","0.03","90","","1705","3","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I O3 -","- C18 H17 I O3 -","- C72 H68 I4 O12 -","4","1","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0292","","","","0.0369","","","","","","1.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026707","13.3529","0.0015","12.6154","0.0015","20.5522","0.0019","90","","99.7","0.02","90","","3412.6","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetramethyl 2,6-bis[4-(dimethylamino) phenyl]cyclohexane-1,1,4,4- tetracarboxylate","","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","- C120 H152 N8 O32 -","4","1","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","","1.54184","CuKα","","0.2241","0.0504","","","0.1041","0.156","","","","","","0.811","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026708","8.2762","0.0008","9.5852","0.0009","12.597","0.0013","82.36","0.02","80.27","0.02","77.15","0.02","955.53","0.19","295","2","295","2","","","","","","","","4","P 1","P 1","1","","Tetramethyl 2,2'-((9S,10R)-1,2,3,5,6,7- hexamethoxy-9,10-dihydroanthracene- 9,10-diyl)-bis(methylene)dimalonate","","- C32.25 H41.25 Cl0.75 O14.5 -","- C32.25 H40.25 Cl0.75 O14.5 -","- C32.25 H40.25 Cl0.75 O14.5 -","1","1","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","x-ray","1.54184","CuKα","","0.0417","0.035","","","0.0992","0.1056","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026709","16.6656","0.0008","9.5746","0.0005","18.642","0.0009","90","","114.9","0.01","90","","2698.1","0.3","295","2","295","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","Tetramethyl 2(SR),5(SR)‒bis(4‒methoxyphenyl)cyclohexane‒1,1,4,4‒tetracarboxylate","","- C28 H32 O10 -","- C28 H32 O10 -","- C112 H128 O40 -","4","1","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","x-ray","1.54184","CuKα","","0.0669","0.0438","","","0.1097","0.1223","","","","","","1.005","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026710","9.3152","0.0019","7.6419","0.0017","20.709","0.004","90","","102.37","0.02","90","","1440","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetramethyl 2,2'-((9S,10R)-1,2,5,6-tetramethoxy-9,10-dihydroanthracene- 9,10-diyl)bis(methylene)dimalonate","","- C30 H36 O12 -","- C30 H36 O12 -","- C60 H72 O24 -","2","0.5","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","x-ray","1.54184","CuKα","","0.0374","0.0339","","","0.092","0.0952","","","","","","0.94","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026711","17.0989","0.0008","8.7981","0.0006","19.2978","0.0009","90","","98.895","0.005","90","","2868.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N O4 -","- C33 H35 N O4 -","- C132 H140 N4 O16 -","4","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0749","0.0468","","","0.1046","0.1195","","","","","","1.032","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026712","10.3722","0.0006","10.5695","0.0005","14.3839","0.0009","98.241","0.004","99.394","0.005","92.118","0.004","1536.74","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H35 N O4 -","- C37 H35 N O4 -","- C74 H70 N2 O8 -","2","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0863","0.0548","","","0.1328","0.1532","","","","","","1.033","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026713","11.1655","0.0006","19.4016","0.0008","15.3346","0.0007","90","","108.456","0.005","90","","3151.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N O4 -","- C37 H35 N O4 -","- C148 H140 N4 O16 -","4","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0796","0.049","","","0.1163","0.1347","","","","","","1.027","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026714","9.5376","0.0006","10.1404","0.0005","14.9134","0.0009","95.842","0.005","95.11","0.005","108.437","0.005","1349.93","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 N O4 -","- C31 H33 N O4 -","- C62 H66 N2 O8 -","2","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0847","0.0517","","","0.1244","0.1434","","","","","","1.023","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026715","6.7764","0.0003","11.7822","0.0005","15.276","0.0007","90","","96.075","0.001","90","","1212.8","0.09","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Suwei Dong; Katharine J. Cahill; Moon-Il Kang; Nancy H. Colburn; Curtis J. Henrich; Jennifer A. Wilson; John A. Beutler; Richard P. Johnson; John A. Porco","Microwave-Based Reaction Screening: Tandem Retro-Diels-Alder/Diels-Alder Cycloadditions of o-Quinol Dimers","Journal of Organic Chemistry","2011","76","","8944","8954","10.1021/jo201658y","","","0.71073","MoKα","","0.0471","0.0374","","","0.0994","0.1073","","","","","","1.033","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026716","27.166","0.0014","7.5426","0.0004","17.829","0.0009","90","","108.241","0.003","90","","3469.6","0.3","183","2","183","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H53 N6 O10.5 -","- C28 H46 N6 O10.5 -","- C112 H184 N24 O42 -","4","1","","Sujeewa Ranatunga; Jinsoo S. Kim; Ujjwal Pal; Juan R. Del Valle","An Ester Enolate-Claisen Rearrangement Route to Substituted 4-Alkylideneprolines. Studies toward a Definitive Structural Revision of Lucentamycin A","Journal of Organic Chemistry","2011","76","","8962","8976","10.1021/jo201727g","","","0.71073","MoKα","","0.0637","0.0501","","","0.1195","0.128","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026717","8.8907","0.0013","9.494","0.0014","14.442","0.002","72.405","0.011","81.083","0.012","69.498","0.011","1086.7","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cl2 N2 O6 -","- C21 H18 Cl2 N2 O6 -","- C42 H36 Cl4 N4 O12 -","2","1","","Tryfon Zarganes-Tzitzikas; Michael A. Terzidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Synthesis of Functionalized Spirobenzofuranones via MCR involving 3-Cyanochromones","Journal of Organic Chemistry","2011","76","","9008","9014","10.1021/jo201732g","","","0.71073","MoKα","","0.0582","0.0364","","","0.0849","0.0904","","","","","","0.979","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026718","14.651","0.003","14.524","0.003","14.781","0.003","90","","114.53","0.03","90","","2861.4","1.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C74 H60 N2 O7 -","- C74 H60 N2 O7 -","- C148 H120 N4 O14 -","2","1","","Xin Xie; Xiangwei Du; Yifeng Chen; Yuanhong Liu","One-Pot Synthesis of Indole-Fused Scaffolds via Gold-Catalyzed Tandem Annulation Reactions of 1,2-Bis(alkynyl)-2-en-1-ones with Indoles","Journal of Organic Chemistry","2011","76","","9175","9181","10.1021/jo2017668","","","0.71073","MoKα","","0.0703","0.0504","","","0.1169","0.133","","","","","","1.035","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026719","9.1943","0.0013","11.9963","0.0017","12.7403","0.0019","63.084","0.002","81.883","0.003","81.254","0.003","1234.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H23 N O3 -","- C33 H23 N O3 -","- C66 H46 N2 O6 -","2","1","","Xin Xie; Xiangwei Du; Yifeng Chen; Yuanhong Liu","One-Pot Synthesis of Indole-Fused Scaffolds via Gold-Catalyzed Tandem Annulation Reactions of 1,2-Bis(alkynyl)-2-en-1-ones with Indoles","Journal of Organic Chemistry","2011","76","","9175","9181","10.1021/jo2017668","","","0.71073","MoKα","","0.0758","0.0554","","","0.1364","0.1475","","","","","","1.012","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026720","9.7718","0.0016","8.006","0.0009","20.49","0.0018","90","","108.09","0.008","90","","1523.8","0.3","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","1.54178","CuKα","","0.054","0.0421","","","0.1107","0.1183","","","","","","1.067","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026721","7.8462","0.0012","23.6535","0.0009","8.3161","0.0006","90","","97.932","0.009","90","","1528.6","0.3","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","1.54178","CuKα","","0.0831","0.041","","","0.1122","0.1371","","","","","","1.078","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026722","35.794","0.003","6.9906","0.0005","22.8659","0.0017","90","","108.969","0.001","90","","5410.8","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cl3 N O6 -","- C28 H34 Cl3 N O6 -","- C224 H272 Cl24 N8 O48 -","8","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","0.71073","MoKα","","0.0893","0.0498","","","0.0993","0.1124","","","","","","1.015","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026723","7.939","0.002","13.091","0.003","16.816","0.004","90","","90","","90","","1747.7","0.7","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","0.71075","MoKα","","0.0324","0.0323","","","0.083","0.0831","","","","","","1.061","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026724","7.3665","0.0005","7.7794","0.0005","16.9363","0.0012","84.261","0.004","83.83","0.004","88.158","0.004","959.88","0.11","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O -","- C25 H26 O -","- C50 H52 O2 -","2","1","","Jennifer Tsoung; Katja Krämer; Adam Zajdlik; Clemence Liébert; Mark Lautens","Diastereoselective Friedel-Crafts Alkylation of Hydronaphthalenes","Journal of Organic Chemistry","2011","76","","9031","9045","10.1021/jo201781x","","","0.71073","MoKα","","0.0919","0.0557","","","0.1396","0.1689","","","","","","1.034","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026725","10.08","0.0005","7.0463","0.0003","11.1384","0.0006","90","","107.995","0.002","90","","752.42","0.06","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H17 -","- C22 H18 -","- C44 H36 -","2","1","","Jennifer Tsoung; Katja Krämer; Adam Zajdlik; Clemence Liébert; Mark Lautens","Diastereoselective Friedel-Crafts Alkylation of Hydronaphthalenes","Journal of Organic Chemistry","2011","76","","9031","9045","10.1021/jo201781x","","","0.71073","MoKα","","0.0469","0.0368","","","0.0861","0.0917","","","","","","1.037","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026726","10.4988","0.0009","14.453","0.001","18.836","0.002","68.098","0.002","74.096","0.002","84.16","0.002","2550.4","0.4","93.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H51 N O2 S -","- C71 H51 N O2 S -","- C142 H102 N2 O4 S2 -","2","1","","Kimio Hirano; Yusuke Inaba; Kiyosei Takasu; Shinya Oishi; Yoshiji Takemoto; Nobutaka Fujii; Hiroaki Ohno","Gold(I)-Catalyzed Polycyclizations of Polyenyne-Type Anilines Based on Hydroamination and Consecutive Hydroarylation Cascade","Journal of Organic Chemistry","2011","76","","9068","9080","10.1021/jo2018119","","","0.7107","MoKα","","","0.073","","","","0.088","","","","","","1.766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026727","6.5614","0.0018","10.965","0.003","26.383","0.008","90","","90","","90","","1898.1","0.9","108","2","108","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H92 Cl4 N16 O16 -","- C64 H92 Cl4 N16 O16 -","- C64 H92 Cl4 N16 O16 -","1","0.25","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71075","MoKα","","0.0735","0.0521","","","0.1179","0.1827","","","","","","1.011","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026728","12.516","0.003","24.947","0.005","12.942","0.003","90","","116.07","0.03","90","","3629.8","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C112 H176 Cl16 N64 -","- C112 H176 Cl16 N64 -","- C112 H176 Cl16 N64 -","1","0.125","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71073","MoKα","","0.045","0.0399","","","0.098","0.1015","","","","","","1.144","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026729","13.489","0.003","8.687","0.002","19.035","0.004","90","","91.485","0.004","90","","2229.8","0.9","108","2","108","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H120 Cl8 N32 -","- C80 H120 Cl8 N32 -","- C80 H120 Cl8 N32 -","1","0.125","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71075","MoKα","","0.0621","0.0449","","","0.1355","0.1992","","","","","","1.171","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026730","8.908","0.003","11.243","0.003","11.338","0.003","95.291","0.002","112.663","0.006","91.655","0.004","1040.8","0.5","118","2","118","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N6 O10 -","- C38 H58 N6 O10 -","- C38 H58 N6 O10 -","1","0.5","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71075","MoKα","","0.0456","0.0366","","","0.099","0.1202","","","","","","1.14","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026731","28.907","0.01","7.097","0.002","19.34","0.006","90","","120.174","0.006","90","","3430.1","1.9","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 Cl2 N -","- C16 H25 Cl2 N -","- C128 H200 Cl16 N8 -","8","1","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.0746","0.0428","","","0.1077","0.134","","","","","","1.078","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026732","37.226","0.019","8.122","0.004","27.186","0.013","90","","109.884","0.012","90","","7730","7","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","rac-(RS,RS)-2-(1-(3,4-dichlorophenyl)-3-methylbutyl)piperidinium chloride Monohydrate","","- C35 H52 Cl6 N2 O2 -","- C17 H26 Cl3 N O -","- C272 H416 Cl48 N16 O16 -","16","2","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.1755","0.0909","","","0.215","0.2488","","","","","","1.039","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026733","7.8496","0.0015","26.389","0.005","8.7973","0.0015","90","","115.512","0.004","90","","1644.6","0.5","93","1","93","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(RS,SR)-2-(1-(3-chlorophenyl)-3-methylbutyl)piperidinium chloride","","- C16 H25 Cl2 N -","- C16 H25 Cl2 N -","- C64 H100 Cl8 N4 -","4","1","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.066","0.0466","","","0.1187","0.1277","","","","","","1.037","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026734","12.72","0.005","11.077","0.004","13.974","0.006","90","","112.514","0.01","90","","1818.9","1.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(RS,RS)-2-(1-(3,4-dichlorophenyl)-3-methylbutyl)-1-methylpiperidinium chloride","","- C17 H26 Cl3 N -","- C17 H26 Cl3 N -","- C68 H104 Cl12 N4 -","4","1","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.0926","0.061","","","0.1601","0.1757","","","","","","1.037","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026735","17.2161","0.0003","5.9583","0.0001","17.2485","0.0003","90","","116.211","0.001","90","","1587.39","0.05","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H22 O -","- C20 H22 O -","- C80 H88 O4 -","4","1","","R. Frederick Lambert; Robert J. Hinkle; Stephen E. Ammann; Yajing Lian; Jia Liu; Shane E. Lewis; Robert D. Pike","Bi(OTf)3-, TfOH-, and TMSOTf- Mediated, One-Pot Epoxide Rearrangement, Addition, and Intramolecular Silyl-Modified Sakurai (ISMS) Cascade toward Dihydropyrans: Comparison of Catalysts and Role of Bi(OTf)3","Journal of Organic Chemistry","2011","76","","9269","9277","10.1021/jo201478d","","","1.54178","CuKα","","0.0284","0.0283","","","0.0748","0.0749","","","","","","1.043","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026736","9.5212","0.0003","10.8122","0.0004","28.4537","0.0011","90","","94.394","0.01","90","","2920.56","0.19","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(4-Nitrophenyl)-3,4,8,9-tetraphenyl-5,7-dioxa-1-azabicylo[4.4.1]undeca-3,8- diene-2,10-dione","","- C38 H26 N2 O6 -","- C38 H26 N2 O6 -","- C152 H104 N8 O24 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.067","0.053","","","0.1369","0.1482","","","","","","1.062","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026737","9.6834","0.0002","19.3806","0.0004","19.9584","0.0004","90","","98.464","0.01","90","","3704.8","0.16","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(6RS,7RS)-7-Methyl-3,4,6-triphenyl-5-oxa-1-azabicyclo[4.1.0]hept-3-en-2-one","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C192 H152 N8 O16 -","8","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0619","0.0431","","","0.1082","0.1176","","","","","","1.03","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026738","10.5934","0.0002","12.6294","0.0003","18.7414","0.0004","90","","90","","90","","2507.38","0.09","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4'-Benzoyl-2',4'-diphenylspiro[fluorene-9,3'-pyrrol]-5'(4'H)-one","","- C35 H23 N O2 -","- C35 H23 N O2 -","- C140 H92 N4 O8 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0566","0.0391","","","0.0864","0.0981","","","","","","1.036","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026739","14.3216","0.0005","14.1401","0.0005","20.2005","0.0007","90","","93.068","0.01","90","","4084.9","0.3","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","(7'RS,8a'SR)-7'-Benzoyl-2',3',7',8a'-tetraphenylspiro[fluorene-9,8'- pyrrolo[2,1-b][1,3]oxazine]-4',6'(7'H,8a'H)-dione","","- C51 H35 Cl2 N O4 -","- C51 H35 Cl2 N O4 -","- C204 H140 Cl8 N4 O16 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0843","0.0529","","","0.12","0.1322","","","","","","0.987","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026740","10.1297","0.0003","12.8314","0.0004","14.6074","0.0004","96.969","0.01","104.944","0.01","106.416","0.01","1720.58","0.19","120","","120","","","","","","","","","4","P -1","-P 1","2","","(Z)-Methyl 3-(5-oxo-2,6,7-triphenyl-2,3,4,5-tetrahydro-1,4-oxazepin-2-yloxy)- 2,3-diphenylacrylate","","- C41 H37 N O6 -","- C41 H37 N O6 -","- C82 H74 N2 O12 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0827","0.0441","","","0.0889","0.0996","","","","","","0.921","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026741","24.4292","0.0006","10.281","0.0003","21.1739","0.0005","90","","117.263","0.01","90","","4727.2","0.5","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2RS,3SR)-2-Methoxy-2,3,6,7-tetraphenyl-3,4-dihydro-1,4-oxazepin-5(2H)-one","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C240 H200 N8 O24 -","8","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0513","0.0411","","","0.1123","0.1217","","","","","","1.049","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026742","31.808","0.002","5.6746","0.0003","20.9233","0.0012","90","","98.1","0.006","90","","3738.9","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C208 H144 O16 -","8","1","","Jian Cao; Maozhong Miao; Wanli Chen; Luling Wu; Xian Huang","Manganese(III) Acetate-Mediated Cyclization of Diarylmethylenecyclopropa[b]naphthalenes: A Method for the Synthesis of 1,2-Benzanthracene Derivatives","Journal of Organic Chemistry","2011","76","","9329","9337","10.1021/jo2015906","","","1.54184","CuKα","","0.0675","0.0516","","","0.1421","0.16","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026743","13.07","0.02","9.621","0.014","23.58","0.04","90","","106.99","0.03","90","","2836","8","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 N6 O2 -","- C66 H64 N6 O2 -","- C132 H128 N12 O4 -","2","0.5","","Tomohito Ide; Daisuke Takeuchi; Kohtaro Osakada; Takashi Sato; Masayoshi Higuchi","Aromatic Macrocycle Containing Amine and Imine Groups: Intramolecular Charge-Transfer and Multiple Redox Behavior","Journal of Organic Chemistry","2011","76","","9504","9506","10.1021/jo201650t","","","0.7107","MoKα","","","0.0916","","","","0.2215","","","","","","0.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026744","7.7147","0.0013","12.9963","0.0012","18.83","0.006","90","","90","","90","","1887.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 B F4 N2 -","- C19 H23 B F4 N2 -","- C76 H92 B4 F16 N8 -","4","1","","Konstantin Troshin; Claus Schindele; Herbert Mayr","Electrophilicities of Symmetrically Substituted 1,3-Diarylallyl Cations","Journal of Organic Chemistry","2011","76","","9391","9408","10.1021/jo201668w","","","0.71073","MoKα","","0.0475","0.0364","","","0.0991","0.1097","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4026745","23.0429","0.0006","19.253","0.0005","15.1462","0.0004","90","","105.922","0.001","90","","6461.7","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H23 Cl N2 O6.5 Pd2 S2 -","- C26.5 H23 Cl N2 O6.5 Pd2 S2 -","- C212 H184 Cl8 N16 O52 Pd16 S16 -","8","1","","José A. Romero-Revilla; Alfonso García-Rubia; Ramón Goméz Arrayás; M. Ángeles Fernández-Ibáñez; Juan C. Carretero","Palladium-Catalyzed Coupling of Arene C-H Bonds with Methyl- and Arylboron Reagents Assisted by the Removable 2-Pyridylsulfinyl Group","Journal of Organic Chemistry","2011","76","","9525","9530","10.1021/jo2018137","","","0.71073","MoKα","","0.0466","0.0322","","","0.1161","0.1377","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026746","10.3126","0.0002","13.3307","0.0003","20.6168","0.0005","90","","90","","90","","2834.28","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2S,8aS)-2-bromo-1,2,3,5,8,8a-hexahydro-1-indolizinol","","- C8 H12 Br N O -","- C8 H12 Br N O -","- C96 H144 Br12 N12 O12 -","12","3","","Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi","Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol","Journal of Organic Chemistry","2011","76","","9536","9541","10.1021/jo201830b","","x-ray","1.54178","CuKα","","0.0989","0.0471","","","0.0989","0.1211","","","","","","0.942","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026747","7.735","0.001","6.605","0.001","17.832","0.001","90","","92.495","0.004","90","","910.17","0.19","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1SR,2SR,8aSR)-2.bromooctahydro-1-indolizinol","","- C8 H14 Br N O -","- C8 H14 Br N O -","- C32 H56 Br4 N4 O4 -","4","1","","Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi","Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol","Journal of Organic Chemistry","2011","76","","9536","9541","10.1021/jo201830b","","","1.54178","CuKα","","0.0858","0.0788","","","0.217","0.2224","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026748","21.759","0.001","21.759","0.001","10.388","0.001","90","","90","","120","","4259.3","0.5","293","2","295","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(1S,2S,8aS)-2.bromooctahydro-1-indolizinol","","- C8 H14 Br N O -","- C8 H14 Br N O -","- C144 H252 Br18 N18 O18 -","18","1","","Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi","Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol","Journal of Organic Chemistry","2011","76","","9536","9541","10.1021/jo201830b","","","1.54178","CuKα","","0.0827","0.0506","","","0.11","0.1237","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026749","7.7653","0.0005","7.7653","0.0005","17.0129","0.0012","90","","90","","90","","1025.88","0.12","150","2","150","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C16 H32 Br2 Mg O4 -","- C16 H32 Br2 Mg O4 -","- C32 H64 Br4 Mg2 O8 -","2","0.25","","Jacob W. Clary; Terry J. Rettenmaier; Rachel Snelling; Whitney Bryks; Jesse Banwell; W. Todd Wipke; Bakthan Singaram","Hydride as a Leaving Group in the Reaction of Pinacolborane with Halides under Ambient Grignard and Barbier Conditions. One-Pot Synthesis of Alkyl, Aryl, Heteroaryl, Vinyl, and Allyl Pinacolboronic Esters","Journal of Organic Chemistry","2011","76","","9602","9610","10.1021/jo201093u","","","0.71073","MoKα","","0.0202","0.0179","","","0.0416","0.0424","","","","","","1.081","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026750","6.9022","0.0002","8.7137","0.0003","30.7371","0.0009","90","","90","","90","","1848.64","0.1","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7-dibenzyloxy-3-oxo-tetrahydro-pyrrolo[1,2-c]oxaza-5-carbonitrile","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Anna L. Win-Mason; Seino A. K. Jongkees; Stephen G. Withers; Peter C. Tyler; Mattie S. M. Timmer; Bridget L. Stocker","Stereoselective Total Synthesis of Aminoiminohexitols via Carbamate Annulation","Journal of Organic Chemistry","2011","76","","9611","9621","10.1021/jo201151b","","","0.71073","MoKα","","0.042587","0.035161","","","","0.07879","","","","","","1.05893","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026751","5.6331","0.0003","9.5901","0.0006","32.6895","0.0019","90","","90","","90","","1765.95","0.18","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7-dibenzyloxy-3-oxo-tetrahydro-pyrrolo[1,2-c]oxaza-5-carbonitrile","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Anna L. Win-Mason; Seino A. K. Jongkees; Stephen G. Withers; Peter C. Tyler; Mattie S. M. Timmer; Bridget L. Stocker","Stereoselective Total Synthesis of Aminoiminohexitols via Carbamate Annulation","Journal of Organic Chemistry","2011","76","","9611","9621","10.1021/jo201151b","","","0.71073","MoKα","","0.084563","0.051163","","","","0.102433","","","","","","0.976826","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026752","5.4007","0.001","16.268","0.003","11.926","0.002","90","","102.814","0.013","90","","1021.7","0.3","90","2","90","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","4-(carboxymethyl)benzenediazonium tetrafluoroborate","","- C8 H7 B F4 N2 O2 -","- C8 H7 B F4 N2 O2 -","- C32 H28 B4 F16 N8 O8 -","4","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0762","0.0443","","","0.0864","0.0978","","","","","","1.021","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026753","14.404","0.002","9.8257","0.0014","12.052","0.0016","90","","102.494","0.007","90","","1665.3","0.4","90","2","90","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 2-hydroxy-5-[(E)-(2-methoxy-1,1-dimethyl-2-oxoethyl)diazenyl] benzoate","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C64 H88 N8 O20 -","4","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0703","0.0446","","","0.1036","0.1142","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026754","5.7594","0.001","9.521","0.002","16.404","0.003","78.73","0.013","81.125","0.012","83.834","0.012","868.8","0.3","90","2","90","2","","","","","","","synthesized","4","P -1","-P 1","2","","Methyl 2-{2-[4-(2-tert-butoxy-2-oxoethyl)phenyl]hydrazinyl}-2-methylpropanoate","","- C17 H26 N2 O4 -","- C17 H26 N2 O4 -","- C34 H52 N4 O8 -","2","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0745","0.0472","","","0.1022","0.1151","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026755","45.621","0.005","12.0348","0.001","20.808","0.002","90","","108.498","0.004","90","","10834.2","1.8","90","0.5","90","0.5","","","","","","","synthesized","4","C 1 2/c 1","-C 2yc","15","","{4-[(E)-(2-methoxy-1,1-dimethyl-2-oxoethyl)diazenyl]phenyl}acetic acid","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C416 H512 N64 O128 -","32","4","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0978","0.0499","","","0.1053","0.1203","","","","","","1.039","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026756","9.1381","0.0006","23.089","0.0009","8.4213","0.0006","90","","95.317","0.003","90","","1769.16","0.18","90","2","90","2","","","","","","","synthesized","4","C 1 c 1","C -2yc","9","","Methyl 2-{(E)-[4-(2-tert-butoxy-2-oxoethyl)phenyl]diazenyl}-2-methyl propanoate","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C68 H96 N8 O16 -","4","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0893","0.0783","","","0.2334","0.2472","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026757","15.263","0.003","7.0712","0.0013","29.628","0.005","90","","101.924","0.003","90","","3128.7","1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","VCD-68","","","- C29 H33 N3 O14 -","- C29 H33 N3 O14 -","- C116 H132 N12 O56 -","4","2","","M. José Alves; Flora T. Costa; Vera C. M. Duarte; Antonio Gil Fortes; José A. Martins; Nuno M. Micaelo","Advances in the Synthesis of Homochiral (-)-1-Azafagomine and (+)-5-epi-1-Azafagomine. 1-N-Phenyl Carboxamide Derivatives of both Enantiomers of 1-Azafagomine: Leads for the Synthesis of Active α-Glycosidase Inhibitors.","Journal of Organic Chemistry","2011","76","","9584","9592","10.1021/jo201486q","","x-ray","0.71073","MoKα","","0.0752","0.0453","","","0.097","0.1101","","","","","","1.017","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026758","9.4472","0.0012","10.9829","0.0014","11.0176","0.0014","90","","90","","90","","1143.2","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","M. José Alves; Flora T. Costa; Vera C. M. Duarte; Antonio Gil Fortes; José A. Martins; Nuno M. Micaelo","Advances in the Synthesis of Homochiral (-)-1-Azafagomine and (+)-5-epi-1-Azafagomine. 1-N-Phenyl Carboxamide Derivatives of both Enantiomers of 1-Azafagomine: Leads for the Synthesis of Active α-Glycosidase Inhibitors.","Journal of Organic Chemistry","2011","76","","9584","9592","10.1021/jo201486q","","x-ray","0.7107","MoKα","","0.0348","0.0328","","","0.0833","0.0846","","","","","","1.083","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026759","15.717","","12.299","","15.454","","90","","95.11","","90","","2975.44","","297","2","297","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C144 H120 N8 O32 -","8","2","","Ta-Hsien Chuang; Wei-Yu Chang; Chien-Fu Li; Yu-Chia Wen; Chia-Chen Tsai","Substituent Effects on the Iodine-Catalyzed Thermal Cyclization of 3,4-Diphenylbuta-1,3-dienyl Isocyanates: Mechanistic Studies","Journal of Organic Chemistry","2011","76","","9678","9686","10.1021/jo2017247","","x-ray","0.71073","MoKα","","0.1248","0.0431","","","0.0699","0.0781","","","","","","0.957","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026760","12.975","0.0011","11.1695","0.001","23.176","0.002","90","","91.288","0.001","90","","3357.9","0.5","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Kuet21","(8S,9S)-2,15-bis(benzyloxy)- 1,3,8,9,14,16-hexamethoxy- 7,8,9,10-tetrahydrodibenzo[h,j][1,6]dioxacyclododecine- 5,12-dione","","- C38 H40 O12 -","- C38 H40 O12 -","- C152 H160 O48 -","4","2","","Noriaki Asakura; Shohei Fujimoto; Naoki Michihata; Kentaro Nishii; Hiroshi Imagawa; Hidetoshi Yamada","Synthesis of Chiral and Modifiable Hexahydroxydiphenoyl Compounds","Journal of Organic Chemistry","2011","76","","9711","9719","10.1021/jo201750d","","","0.71073","MoKα","","0.0335","0.0321","","","0.0738","0.0745","","","","","","1.029","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4026761","5.324","0.0001","12.6918","0.0003","23.0937","0.0006","90","","90","","90","","1560.47","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cytospolide M","(1S,2R,5R,6S,7R,8R)-6,7-dihydroxy-5,8-dimethyl-2- pentyl-3,11-dioxa-bicyclo[6.2.1]undecan-4-one","","- C15 H26 O5 -","- C15 H26 O5 -","- C60 H104 O20 -","4","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0994","0.0568","","","0.151","0.181","","","","","","1.049","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026762","5.1842","0.0001","22.775","0.0004","30.4741","0.0004","90","","90","","90","","3598.08","0.11","296","2","296","2","","","","","","","","3","C 2 2 21","C 2c 2","20","cytospolide P","(3S,6R,9S,10R)-9-hydroxy-3-methyl-2,4-dioxo-10 -pentyloxecan-6-yl acetate","","- C17 H28 O6 -","- C17 H28 O6 -","- C136 H224 O48 -","8","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0463","0.0389","","","0.1038","0.1135","","","","","","1.032","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026763","5.1139","0.0002","16.2267","0.0005","19.0927","0.0006","90","","90","","90","","1584.35","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cytospolide Q","(3R,4S,5S)-4-hydroxy-5-((2R,5S)-5-((R)-1-hydroxyhexyl)- tetrahydrofuran-2-yl)-3-methyl-dihydrofuran-2(3H)-one","","- C15 H26 O5 -","- C15 H26 O5 -","- C60 H104 O20 -","4","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0327","0.0311","","","0.0877","0.0892","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026764","11.93","0.004","14.202","0.005","12.708","0.004","90","","105.706","0.005","90","","2072.7","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2b-(2-chloroethyl)-2aH, 2bH-corannulene-2a-yl aluminum tetrachloride","","- C22 H14 Al Cl5 -","- C22 H14 Al Cl5 -","- C88 H56 Al4 Cl20 -","4","1","","Alexander V. Zabula; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina","Selective Surface Decoration of Corannulene","Journal of Organic Chemistry","2011","76","","9572","9576","10.1021/jo201765j","","","0.71073","Mo-Kα","","0.1184","0.0795","","","0.1597","0.1772","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026765","9.7555","0.0014","14.481","0.002","15.035","0.002","90","","93.891","0.003","90","","2119.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2b-(2-bromoethyl)-2aH, 2bH-corannulene-2a-yl aluminum tetrachloride","","- C22 H14 Al Br Cl4 -","- C22 H14 Al Br Cl4 -","- C88 H56 Al4 Br4 Cl16 -","4","1","","Alexander V. Zabula; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina","Selective Surface Decoration of Corannulene","Journal of Organic Chemistry","2011","76","","9572","9576","10.1021/jo201765j","","","0.71073","Mo-Kα","","0.0929","0.059","","","0.1331","0.1513","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4026766","6.903","0.002","12.849","0.004","22.305","0.007","90","","90","","90","","1978.4","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O8 -","- C21 H20 N2 O8 -","- C84 H80 N8 O32 -","4","1","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0697","0.0494","","","0.1151","0.1281","","","","","","1.066","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026767","9.0911","0.0009","9.0911","0.0009","31.405","0.006","90","","90","","90","","2595.6","0.6","200","2","200","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C14 H21 N O -","- C14 H21 N O -","- C112 H168 N8 O8 -","8","1","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0479","0.0443","","","0.1142","0.1187","","","","","","1.08","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026768","9.3034","0.0014","14.352","0.002","31.116","0.005","90","","90","","90","","4154.7","1.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O -","- C15 H23 N O -","- C180 H276 N12 O12 -","12","3","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0804","0.0554","","","0.1185","0.1301","","","","","","1.032","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026769","12.2038","0.0007","4.1403","0.0003","22.3872","0.0016","90","","90","","90","","1131.17","0.13","130","","130","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","1","","Stephen A. Glover; Jonathan M. White; Adam A. Rosser; Katherine M. Digianantonio","Structures of N,N-Dialkoxyamides: Pyramidal Anomeric Amides with Low Amidicity","Journal of Organic Chemistry","2011","76","","9757","9763","10.1021/jo201856u","","","0.7107","MoKα","","0.0548","0.049","","","0.1219","0.1268","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026770","10.9575","0.0003","17.3679","0.0005","7.9564","0.0002","90","","108.867","0.003","90","","1432.82","0.07","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","","Stephen A. Glover; Jonathan M. White; Adam A. Rosser; Katherine M. Digianantonio","Structures of N,N-Dialkoxyamides: Pyramidal Anomeric Amides with Low Amidicity","Journal of Organic Chemistry","2011","76","","9757","9763","10.1021/jo201856u","","","0.7107","MoKα","","0.0433","0.0348","","","0.0821","0.0863","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026771","17.296","0.003","9.0264","0.0016","17.03","0.003","90","","28.664","0.004","90","","1275.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(11bR*,12R*)-11b,12-dihydroxy-11b,12-dihydroisoindolo[2,1-b]isoquinolin -7(5H)-one","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Naoki Kise; Shinsaku Isemoto; Toshihiko Sakurai","Electroreductive Intramolecular Coupling of Phthalimides with Aromatic Aldehydes: Application to the Synthesis of Lennoxamine","Journal of Organic Chemistry","2011","76","","9856","9860","10.1021/jo2018735","","","0.71075","MoKα","","0.0588","0.0442","","","0.1136","0.1201","","","","","","1.062","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026772","10.8606","0.0016","8.0593","0.0008","15.861","0.002","90","","105.485","0.006","90","","1337.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(13R*,13aR*)-13-hydroxy-7,8,13,13a-tetrahydro-5H-benzo[4,5]azepino[2,1-a] isoindol-5-one","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Naoki Kise; Shinsaku Isemoto; Toshihiko Sakurai","Electroreductive Intramolecular Coupling of Phthalimides with Aromatic Aldehydes: Application to the Synthesis of Lennoxamine","Journal of Organic Chemistry","2011","76","","9856","9860","10.1021/jo2018735","","","0.71075","MoKα","","0.0655","0.0423","","","0.0999","0.1074","","","","","","1.026","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026773","14.5","0.002","7.1527","0.0012","25.93","0.004","90","","99.797","0.009","90","","2650.1","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(13R*,13aS*)-13-hydroxy-7,8,13,13a-tetrahydro-5H-benzo[4,5]azepino[2,1-a] isoindol-5-one","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","2","","Naoki Kise; Shinsaku Isemoto; Toshihiko Sakurai","Electroreductive Intramolecular Coupling of Phthalimides with Aromatic Aldehydes: Application to the Synthesis of Lennoxamine","Journal of Organic Chemistry","2011","76","","9856","9860","10.1021/jo2018735","","","0.71075","MoKα","","0.0951","0.0464","","","0.0988","0.1111","","","","","","0.942","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026774","11.4651","0.0003","10.4634","0.0002","17.3065","0.0005","90","","102.084","0.001","90","","2030.15","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Br N O3 -","- C23 H24 Br N O3 -","- C92 H96 Br4 N4 O12 -","4","1","","John R. Goodell; Jennifer L. Poole; Aaron B. Beeler; Jeffrey Aubé; John A. Porco","Synthesis and Reactivity of Bicyclo[3.2.1]octanoid-Derived Cyclopropanes","Journal of Organic Chemistry","2011","76","","9792","9800","10.1021/jo2018922","","","0.71073","MoKα","","0.0627","0.0341","","","0.0746","0.0851","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026775","13.337","0.004","17.093","0.005","17.547","0.005","90","","105.324","0.018","90","","3858","2","102","2","102","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C192 H184 N8 O32 -","8","4","","John R. Goodell; Jennifer L. Poole; Aaron B. Beeler; Jeffrey Aubé; John A. Porco","Synthesis and Reactivity of Bicyclo[3.2.1]octanoid-Derived Cyclopropanes","Journal of Organic Chemistry","2011","76","","9792","9800","10.1021/jo2018922","","","1.54178","CuKα","","0.0233","0.0233","","","0.0667","0.0668","","","","","","1.002","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026776","7.867","0.004","11.447","0.006","13.759","0.007","72.21","0.007","86.597","0.008","76.128","0.008","1145.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Br N O4 -","- C26 H26 Br N O4 -","- C52 H52 Br2 N2 O8 -","2","1","","John R. Goodell; Jennifer L. Poole; Aaron B. Beeler; Jeffrey Aubé; John A. Porco","Synthesis and Reactivity of Bicyclo[3.2.1]octanoid-Derived Cyclopropanes","Journal of Organic Chemistry","2011","76","","9792","9800","10.1021/jo2018922","","","0.71073","MoKα","","0.0564","0.0485","","","0.1331","0.151","","","","","","1.036","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026777","13.589","0.003","21.416","0.006","16.083","0.003","90","","90.573","0.008","90","","4680.3","1.9","298.1","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C104 H122 N8 -","- C104 H122 N8 -","- C208 H244 N16 -","2","1","","Shi Li; Zhiying Jia; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Dehydro Side Coupling of Substituted Pentacene Derivatives","Journal of Organic Chemistry","2011","76","","9983","9987","10.1021/jo201659q","","","0.71075","MoKα","","","0.0651","","","","0.0886","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026778","18.795","0.01","11.342","0.006","8.188","0.004","90","","100.865","0.007","90","","1714.2","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H7 B Br4 F2 N2 -","- C15 H7 B Br4 F2 N2 -","- C60 H28 B4 Br16 F8 N8 -","4","0.5","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0407","0.0276","","","0.0632","0.0683","","","","","","1.029","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026779","13.367","0.002","18.949","0.003","7.8492","0.0013","90","","90.778","0.002","90","","1988","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H5 B Br6 F2 N2 -","- C15 H5 B Br6 F2 N2 -","- C60 H20 B4 Br24 F8 N8 -","4","0.5","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0638","0.0316","","","0.0669","0.0773","","","","","","1.019","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026780","21.8928","0.0007","21.8928","0.0007","6.3572","0.0004","90","","90","","90","","3047","0.2","293","2","293","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C16 H12 B Br F2 N2 O -","- C16 H12 B Br F2 N2 O -","- C128 H96 B8 Br8 F16 N16 O8 -","8","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0813","0.068","","","0.1921","0.2039","","","","","","1.058","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026781","7.346","0.004","10.948","0.006","20.674","0.012","90","","90.743","0.008","90","","1662.5","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 B Br2 F2 N2 O -","- C16 H11 B Br2 F2 N2 O -","- C64 H44 B4 Br8 F8 N8 O4 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.1707","0.0801","","","0.2032","0.251","","","","","","0.999","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026782","8.0077","0.0009","11.2415","0.0013","11.3767","0.0013","73.294","0.001","74.214","0.001","83.963","0.001","943.49","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H9 B Br4 F2 N2 O -","- C16 H9 B Br4 F2 N2 O -","- C32 H18 B2 Br8 F4 N4 O2 -","2","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0625","0.0419","","","0.1008","0.1114","","","","","","1.036","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026783","11.1392","0.0008","9.0066","0.0006","19.8041","0.0014","90","","90.677","0.001","90","","1986.7","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 B Br5 F2 N2 O -","- C16 H8 B Br5 F2 N2 O -","- C64 H32 B4 Br20 F8 N8 O4 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0836","0.0446","","","0.1135","0.1285","","","","","","1.047","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026784","10.403","0.004","12.637","0.004","19.408","0.006","90","","106.107","0.016","90","","2451.3","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 B Br7 F2 N2 O -","- C16 H6 B Br7 F2 N2 O -","- C64 H24 B4 Br28 F8 N8 O4 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.2155","0.0742","","","0.1579","0.1744","","","","","","1.125","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026785","17.35","0.003","13.448","0.002","9.9745","0.0015","90","","93.922","0.002","90","","2321.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 B Br5 F2 N3 -","- C21 H11 B Br5 F2 N3 -","- C84 H44 B4 Br20 F8 N12 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.093","0.0433","","","0.0974","0.1157","","","","","","1.007","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026786","19.356","0.002","27.471","0.003","5.689","0.0007","90","","90","","90","","3025","0.6","293","2","293","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C29 H19 B Br4 F2 N2 S2 -","- C29 H19 B Br4 F2 N2 S2 -","- C116 H76 B4 Br16 F8 N8 S8 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.1053","0.0691","","","0.1624","0.184","","","","","","1.039","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026787","12.6861","0.0009","13.9611","0.001","14.4382","0.001","62.897","0.001","79.707","0.001","67.317","0.001","2100.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H33 B Br2 F2 N2 S4 -","- C43 H33 B Br2 F2 N2 S4 -","- C86 H66 B2 Br4 F4 N4 S8 -","2","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0729","0.0395","","","0.0903","0.0976","","","","","","1.051","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026788","8.9375","0.0003","15.2834","0.0004","15.6299","0.0005","90","","95.811","0.001","90","","2124","0.11","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl5 N2 Ru -","- C16 H23 Cl5 N2 Ru -","- C64 H92 Cl20 N8 Ru4 -","4","1","","Cheng Chen; Yao Zhang; Soon Hyeok Hong","N-Heterocyclic Carbene Based Ruthenium-Catalyzed Direct Amide Synthesis from Alcohols and Secondary Amines: Involvement of Esters","Journal of Organic Chemistry","2011","76","","10005","10010","10.1021/jo201756z","","","0.71073","MoKα","","0.0309","0.0251","","","0.0662","0.0691","","","","","","1.06","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026789","11.3087","0.0005","8.2975","0.0003","11.8172","0.0005","90","","102.904","0.002","90","","1080.85","0.08","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O3 -","- C24 H32 N2 O3 -","- C48 H64 N4 O6 -","2","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0423","0.0346","","","0.0835","0.0905","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026790","12.6473","0.0002","8.4035","0.0001","22.6779","0.0003","90","","94.086","0.001","90","","2404.12","0.06","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H36 N2 O4 -","- C26 H36 N2 O4 -","- C104 H144 N8 O16 -","4","2","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0311","0.0297","","","0.0731","0.0748","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026791","8.3568","0.0003","14.9131","0.0005","20.9098","0.0007","90","","90","","90","","2605.9","0.15","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 N2 O5 -","- C28 H40 N2 O5 -","- C112 H160 N8 O20 -","4","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0422","0.037","","","0.0906","0.0939","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026792","12.746","0.003","12.818","0.003","20.796","0.005","90","","90","","90","","3397.6","1.4","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 Cl3 N2 O4 -","- C35 H41 Cl3 N2 O4 -","- C140 H164 Cl12 N8 O16 -","4","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","0.71073","MoKα","","0.0673","0.0444","","","0.084","0.0933","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026793","7.7869","0.0006","16.4712","0.0012","17.3078","0.0013","100.676","0.004","92.585","0.004","92.799","0.004","2175.5","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","ÎTBA2TCNQ5â","","","- C47 H50 N11 O -","- C47 H50 N11 O -","- C94 H100 N22 O2 -","2","1","","Jinzhen Lu; Xiaohu Qu; Germanas Peleckis; John F Boas; Alan M Bond; Lisandra L Martin","Synthesis and Structural Characterization of a TCNQ Based Organic Semi-Conducting Material with a 2:5 Stoichiometry","Journal of Organic Chemistry","2011","76","","10078","10082","10.1021/jo2018334","","","0.71073","MoKα","","0.1116","0.0661","","","0.1713","0.2022","","","","","","1.028","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026794","6.283","0.002","10.821","0.002","36.211","0.003","90","","90","","90","","2461.9","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N5 O10 -","- C22 H27 N5 O10 -","- C88 H108 N20 O40 -","4","1","","Anatol P. Spork; Daniel Wiegmann; Markus Granitzka; Dietmar Stalke; Christian Ducho","Stereoselective Synthesis of Uridine-Derived Nucleosyl Amino Acids","Journal of Organic Chemistry","2011","76","","10083","10098","10.1021/jo201935w","","","0.71073","MoKα","","0.0674","0.0656","","","0.1333","0.134","","","","","","1.243","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026795","25.823","0.008","25.671","0.009","26.199","0.009","90","","90","","90","","17367","10","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H68 N8 O4 -","- C45 H66 N8 O4 -","- C720 H1056 N128 O64 -","16","2","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","1.54178","CuKα","","0.1356","0.0694","","","0.1253","0.1467","","","","","","1.033","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026796","9.2544","0.0012","9.9125","0.0013","12.2581","0.0016","84.279","0.004","73.717","0.004","63.471","0.003","965.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H30 N2 O2 -","- C19 H30 N2 O2 -","- C38 H60 N4 O4 -","2","1","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","0.71073","MoKα","","0.0879","0.056","","","0.1446","0.1645","","","","","","1.035","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026797","15.256","0.003","25.707","0.005","13.471","0.003","90","","91.867","0.006","90","","5280.3","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H72 N10 O11 -","- C45 H72 N10 O11 -","- C180 H288 N40 O44 -","4","1","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","0.71073","MoKα","","0.1845","0.095","","","0.2265","0.2858","","","","","","1.006","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026798","13.148","0.003","23.572","0.006","19.584","0.005","90","","100.538","0.008","90","","5967","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C61 H96 F N9 -","- C61 H96 F N9 -","- C244 H384 F4 N36 -","4","1","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","0.71073","MoKα","","0.186","0.07","","","0.1657","0.2212","","","","","","0.994","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026799","9.6498","0.0005","9.7688","0.0004","16.9162","0.0008","90","","90","","90","","1594.64","0.13","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C56 H76 N4 O20 S4 -","4","1","","Santosh J. Gharpure; J. V. K. Prasad","Stereoselective Synthesis of C-Substituted Morpholine Derivatives using Reductive Etherification Reaction: Total Synthesis of Chelonin C","Journal of Organic Chemistry","2011","76","","10325","10331","10.1021/jo201975b","","","0.71073","MoKα","","0.0585","0.0407","","","0.0917","0.0993","","","","","","1.089","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026800","9.858","0.003","10.449","0.002","13.184","0.004","90","","96.313","0.007","90","","1349.8","0.6","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 F3 N O2 -","- C34 H32 F3 N O2 -","- C68 H64 F6 N2 O4 -","2","1","","Yulia Chapurina; Houssein Ibrahim; Régis Guillot; Emilie Kolodziej; Jacqueline Collin; Alexander Trifonov; Emmanuelle Schulz; Jérôme Hannedouche","Catalytic, Enantioselective Intramolecular Hydroamination of Primary Amines Tethered to Di- and Trisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","10163","10172","10.1021/jo202009q","","x-ray","0.71073","MoKα","","0.12","0.0567","","","0.1067","0.1289","","","","","","0.978","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026801","10.3717","0.0008","26.868","0.003","12.3492","0.0012","90","","90.89","0.002","90","","3440.9","0.6","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H83 Li N4 O4 Y -","- C84 H83 Li N4 O4 Y -","- C168 H166 Li2 N8 O8 Y2 -","2","1","","Yulia Chapurina; Houssein Ibrahim; Régis Guillot; Emilie Kolodziej; Jacqueline Collin; Alexander Trifonov; Emmanuelle Schulz; Jérôme Hannedouche","Catalytic, Enantioselective Intramolecular Hydroamination of Primary Amines Tethered to Di- and Trisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","10163","10172","10.1021/jo202009q","","x-ray","0.71073","MoKα","","0.1153","0.0547","","","0.0876","0.1037","","","","","","0.928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026802","11.55","0.001","12.494","0.0011","19.908","0.003","95.16","0.01","104.4","0.01","112.71","0.008","2510.6","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H26 I N O9 -","- C75 H26 I N O9 -","- C150 H52 I2 N2 O18 -","2","1","","Yuming Yu; Xiang Xie; Tong Zhang; Shuming Liu; Yuanhua Shao; Liangbing Gan; Yuliang Li","Synthesis of 18-Membered Open-Cage Fullerenes through Controlled Stepwise Fullerene Skeleton Bond Cleavage Processes and Substituent-Mediated Tuning of the Redox Potential of Open-Cage Fullerenes","Journal of Organic Chemistry","2011","76","","10148","10153","10.1021/jo202014q","","","0.71073","MoKα","","0.0987","0.0707","","","0.1392","0.153","","","","","","1.112","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026803","11.987","0.004","10.059","0.004","12.949","0.005","90","","111.838","0.004","90","","1449.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 N2 O4 -","- C32 H46 N2 O4 -","- C64 H92 N4 O8 -","2","0.5","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0759","0.0483","","","0.1193","0.1392","","","","","","1.03","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026804","12.247","0.007","9.209","0.005","13.959","0.008","90","","114.35","0.007","90","","1434.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.1086","0.0557","","","0.1061","0.126","","","","","","0.982","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026805","7.425","0.003","8.152","0.004","11.99","0.005","78.823","0.007","79.424","0.006","66.947","0.006","650.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C30 H38 N2 O4 -","2","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0928","0.0881","","","0.2314","0.237","","","","","","1.078","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026806","7.721","0.008","13.669","0.014","18.145","0.018","90","","92.817","0.01","90","","1913","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.1769","0.0715","","","0.1364","0.1786","","","","","","1.004","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026807","22.9","0.03","9.06","0.011","18.57","0.02","90","","90.78","0.04","90","","3852","8","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C160 H184 N8 O40 -","8","2","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0514","0.0394","","","0.0937","0.102","","","","","","1.022","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026808","7.228","0.0006","10.2719","0.0008","15.1769","0.0011","99.413","0.005","99.406","0.004","103.506","0.004","1056.75","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O6 -","- C23 H29 N O6 -","- C46 H58 N2 O12 -","2","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0904","0.0511","","","0.1141","0.1367","","","","","","1.004","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026809","8.632","0.007","11.038","0.009","12.753","0.011","105.682","0.008","95.718","0.009","110.662","0.007","1068.7","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O6 -","- C23 H29 N O6 -","- C46 H58 N2 O12 -","2","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.1294","0.0785","","","0.2434","0.2693","","","","","","1.07","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026810","10.925","0.002","8.6147","0.0017","15.619","0.005","90","","126.37","0.02","90","","1183.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F3 N O3 -","- C12 H8 F3 N O3 -","- C48 H32 F12 N4 O12 -","4","1","","Feifei Zhao; Xin Liu; Rui Qi; Daisy Zhang-Negrerie; Jianhui Huang; Yunfei Du; Kang Zhao","Synthesis of 2-(Trifluoromethyl)oxazoles from β-Monosubstituted Enamines via PhI(OCOCF3)2-Mediated Trifluoroacetoxylation and Cyclization","Journal of Organic Chemistry","2011","76","","10338","10344","10.1021/jo202070h","","","0.71073","MoKα","","0.1304","0.0756","","","0.1941","0.2353","","","","","","1.193","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026811","7.317","0.0002","10.796","0.0003","15.19","0.0005","90","","116.288","0.002","90","","1075.83","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Joanna Piechowska; Daniel T. Gryko","Preparation of a Family of 10-Hydroxybenzo[h]quinoline Analogues via a Modified Sanford Reaction and Their Excited State Intramolecular Proton Transfer Properties","Journal of Organic Chemistry","2011","76","","10220","10228","10.1021/jo202072d","","","0.71073","MoKα","","0.0394","0.0358","","","0.0936","0.0968","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026812","40.531","0.003","40.531","0.003","4.3751","0.0004","90","","90","","120","","6224.3","0.9","223","2","223","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H20 N2 O2 -","- C36 H20 N2 O2 -","- C324 H180 N18 O18 -","9","0.5","","Jaebum Lim; Thomas A. Albright; Benjamin R. Martin; Ognjen Š. Miljanić","Benzobisoxazole Cruciforms: Heterocyclic Fluorophores with Spatially Separated Frontier Molecular Orbitals","Journal of Organic Chemistry","2011","76","","10207","10219","10.1021/jo202107w","","","0.71075","MoKα","","0.1226","0.069","","","0.1007","0.1077","","","","","","1.727","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026813","16.3473","0.0014","8.9927","0.0008","23.966","0.002","90","","94.853","0.002","90","","3510.5","0.5","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 N4 O2 -","- C40 H30 N4 O2 -","- C160 H120 N16 O8 -","4","0.5","","Jaebum Lim; Thomas A. Albright; Benjamin R. Martin; Ognjen Š. Miljanić","Benzobisoxazole Cruciforms: Heterocyclic Fluorophores with Spatially Separated Frontier Molecular Orbitals","Journal of Organic Chemistry","2011","76","","10207","10219","10.1021/jo202107w","","","0.71075","MoKα","","0.1108","0.0722","","","0.1963","0.22","","","","","","1.009","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026814","20.44","0.004","5.8011","0.0011","30.416","0.006","90","","108.933","0.005","90","","3411.4","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Cl2 N6 O2 -","- C39 H30 Cl2 N6 O2 -","- C156 H120 Cl8 N24 O8 -","4","0.5","","Jaebum Lim; Thomas A. Albright; Benjamin R. Martin; Ognjen Š. Miljanić","Benzobisoxazole Cruciforms: Heterocyclic Fluorophores with Spatially Separated Frontier Molecular Orbitals","Journal of Organic Chemistry","2011","76","","10207","10219","10.1021/jo202107w","","","0.71075","MoKα","","0.2044","0.0659","","","0.1477","0.1821","","","","","","0.908","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026815","9.302","0.005","8.916","0.004","19.097","0.009","90","","104.096","0.001","90","","1536.1","1.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-(dimethylamino)-4-methylphenyl)naphthalen-2-ol","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Malapaka Chandrasekharam; Barreddi Chiranjeevi; Kankatala S. V. Gupta; B. Sridhar","Iron-Catalyzed Regioselective Direct Oxidative Aryl-Aryl Cross-Coupling","Journal of Organic Chemistry","2011","76","","10229","10235","10.1021/jo202152b","","x-ray","0.71073","MoKα","","0.054","0.0443","","","0.1231","0.1312","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""