# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-06-01T13:28:16+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 = 69 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 "4020765","12.948","0.002","17.7599","0.0004","28.2209","0.0003","90","","90","","90","","6489.7","0.5","273.2","","273.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H52 Cl4 O10 -","- C71 H52 Cl4 O10 -","- C284 H208 Cl16 O40 -","4","1","","Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa","Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations","Journal of Organic Chemistry","2004","69","","1432","1434","10.1021/jo030243k","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00","" "4020766","12.03","0.003","13.764","0.004","17.662","0.006","90","","93.25","0.03","90","","2919","1","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 Ag Cl2 O10 -","- C29 H23 Ag Cl2 O10 -","- C116 H92 Ag4 Cl8 O40 -","4","1","","Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa","Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations","Journal of Organic Chemistry","2004","69","","1432","1434","10.1021/jo030243k","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00","" "4020767","6.9904","0.001","14.747","0.002","18.83","0.003","90","","98.874","0.005","90","","1917.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Cl O5 -","- C23 H17 Cl O5 -","- C92 H68 Cl4 O20 -","4","1","","Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa","Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations","Journal of Organic Chemistry","2004","69","","1432","1434","10.1021/jo030243k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00","" "4020768","8.757","0.003","9.643","0.002","8.346","0.002","103.06","0.01","94.02","0.01","100.73","0.01","669.9","0.3","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 Cl3 N2 O3 -","- C9 H11 Cl3 N2 O3 -","- C18 H22 Cl6 N4 O6 -","2","1","","Ahmad Basheer; Zvi Rappoport","Enols of Amides Activated by the 2,2,2-Trichloroethoxycarbonyl Group","Journal of Organic Chemistry","2004","69","","1151","1160","10.1021/jo030266z","","","","","","","0.061","","","0.081","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4020769","20.8569","0.0004","20.8569","0.0004","9.0442","0.0002","90","","90","","90","","3934.32","0.14","180","2","180","2","","","","","","","","6","P -4 21 c","P -4 2n","114","Ni tetrabenzoporphyrin","","","- C77 H53 Cl3 N4 Ni O16 -","- C79.22 H55.22 Cl9.66 N4 Ni O16 -","- C158.44 H110.44 Cl19.32 N8 Ni2 O32 -","2","0.25","","Olga S. Finikova; Andrei V. Cheprakov; Irina P. Beletskaya; Patrick J. Carroll; Sergei A. Vinogradov","Novel Versatile Synthesis of Substituted Tetrabenzoporphyrins","Journal of Organic Chemistry","2004","69","","522","535","10.1021/jo0350054","","","","","","","0.0617","","","0.1583","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "4020770","6.656","0.001","14.038","0.003","40.714","0.008","90","","90","","90","","3804.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-dithiodianthranilide","","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C168 H120 N24 S24 -","12","3","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020771","9.607","0.001","12.8255","0.0015","14.217","0.0012","90","","102.919","0.008","90","","1707.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H52 N8 S2 -","- C32 H52 N8 S2 -","- C64 H104 N16 S4 -","2","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020772","8.749","0.001","9.771","0.001","18.104","0.002","90","","90","","90","","1547.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-(+)-dianthranilide DMSO 1:1 solvate","","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "4020773","17.397","0.001","8.5828","0.0005","18.7108","0.0011","90","","103.073","0.005","90","","2721.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dianthranilide DMSO solvate","","","- C30 H26 N4 O5 S -","- C30 H26 N4 O5 S -","- C120 H104 N16 O20 S4 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00","" "4020774","8.6349","0.0017","11.2312","0.0019","12.402","0.002","97.534","0.015","96.796","0.016","93.056","0.015","1181.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","dianthranilide","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","2","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020775","7.669","0.002","9.014","0.002","9.62","0.002","83.99","0.02","89.72","0.02","68.74","0.02","616","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","dithiodiantranilide","","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C28 H20 N4 S4 -","2","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020776","10.737","0.002","14.931","0.003","18.911","0.004","90","","90","","90","","3031.7","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 N2 O8 -","- C34 H34 N2 O8 -","- C136 H136 N8 O32 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020777","10.4813","0.0006","11.9342","0.0007","9.7556","0.0005","90","","106.066","0.004","90","","1172.63","0.11","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","F. Christopher Pigge; John J. Coniglio; Nigam P. Rath","Functionalized Spiro- and Fused-Ring Heterocycles via Oxidative Demetalation of Cyclohexadienyl Ruthenium Complexes","Journal of Organic Chemistry","2004","69","","1161","1168","10.1021/jo035058l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020778","9.0063","0.0002","7.1259","0.0001","11.4408","0.0002","90","","110.754","0.001","90","","686.6","0.02","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","F. Christopher Pigge; John J. Coniglio; Nigam P. Rath","Functionalized Spiro- and Fused-Ring Heterocycles via Oxidative Demetalation of Cyclohexadienyl Ruthenium Complexes","Journal of Organic Chemistry","2004","69","","1161","1168","10.1021/jo035058l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020779","9.0118","0.0009","10.8258","0.0011","16.5929","0.0017","90","","90","","90","","1618.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Cl O3 -","- C17 H23 Cl O3 -","- C68 H92 Cl4 O12 -","4","1","","Trevor C. McMorris; Michael D. Staake; Michael J. Kelner","Synthesis and Biological Activity of Enantiomers of Antitumor Irofulven","Journal of Organic Chemistry","2004","69","","619","623","10.1021/jo035084j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020780","9.379","0.009","10.385","0.009","12.99","0.009","90","","103.91","0.07","90","","1228.2","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl O3 -","- C13 H15 Cl O3 -","- C52 H60 Cl4 O12 -","4","1","","Trevor C. McMorris; Michael D. Staake; Michael J. Kelner","Synthesis and Biological Activity of Enantiomers of Antitumor Irofulven","Journal of Organic Chemistry","2004","69","","619","623","10.1021/jo035084j","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00","" "4020781","7.2803","0.0004","26.718","0.002","8.572","0.0005","90","","90","","90","","1667.4","0.2","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 Br2 O5 -","- C16 H16 Br2 O5 -","- C64 H64 Br8 O20 -","4","1","","Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud","Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions","Journal of Organic Chemistry","2004","69","","406","416","10.1021/jo035240m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020782","18.3151","0.0007","16.306","0.0007","19.7968","0.0008","90","","90","","90","","5912.2","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Br2 O3 -","- C15 H14 Br2 O3 -","- C240 H224 Br32 O48 -","16","2","","Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud","Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions","Journal of Organic Chemistry","2004","69","","406","416","10.1021/jo035240m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020783","11.7974","0.0006","8.1389","0.0004","11.4455","0.0005","90","","98.719","0.002","90","","1086.27","0.09","173","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C40 H32 Br8 O8 -","4","1","","Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud","Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions","Journal of Organic Chemistry","2004","69","","406","416","10.1021/jo035240m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020784","5.86","0.0007","8.4944","0.001","13.4511","0.0017","101.721","0.002","98.011","0.002","99.562","0.002","636.01","0.13","110","2","110","2","","","","","","","","4","P -1","-P 1","2","sm08","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","B. Jesse E. Reich; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Stephen A. Miller","Cyanide-Catalyzed Cyclizations via Aldimine Coupling","Journal of Organic Chemistry","2004","69","","1357","1359","10.1021/jo035245j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020785","5.943","0.0009","8.6856","0.0013","14.988","0.002","74.255","0.002","81.05","0.002","83.614","0.002","733.64","0.19","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","","B. Jesse E. Reich; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Stephen A. Miller","Cyanide-Catalyzed Cyclizations via Aldimine Coupling","Journal of Organic Chemistry","2004","69","","1357","1359","10.1021/jo035245j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020786","7.2819","0.0004","14.1493","0.0008","16.561","0.002","90","","90.188","0.002","90","","1706.32","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Br4 N3 O -","- C15 H13 Br4 N3 O -","- C60 H52 Br16 N12 O4 -","4","1","","Ravi S. Orugunty; Ion Ghiviriga; Khalil A. Abboud; Merle A. Battiste; Dennis L. Wright","Bridged Synthons from Tetrabromocyclopropene: Studies on the Rearrangement of the Primary Diels-Alder Adduct with 2,5-Dimethylfuran","Journal of Organic Chemistry","2004","69","","570","572","10.1021/jo0352631","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020787","7.1376","0.0009","7.597","0.001","36.333","0.005","90","0.002","90","0.002","90","0.002","1970.2","0.4","183.2","","183.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N2 O6 -","- C18 H25 N2 O6 -","- C72 H100 N8 O24 -","4","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020788","8.8898","0.0008","10.5671","0.0009","16.154","0.001","90","0.002","92.938","0.002","90.001","0.002","1515.5","0.2","293.2","","293.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H37 N3 O3 S -","- C36 H37 N3 O3 S -","- C72 H74 N6 O6 S2 -","2","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020789","7.1557","0.0009","7.5846","0.0009","36.427","0.004","90.005","0.002","90.002","0.002","89.94","0.002","1977","0.4","273.2","","273.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N10 O10 -","- C18 H26 N2 O6 -","- C72 H104 N8 O24 -","4","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020790","5.726","0.001","9.535","0.002","16.038","0.003","82.246","0.003","89.04","0.01","76.958","0.007","845.1","0.3","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C40 H44 O4 -","2","1","","Naoki Kise; Yasuo Kitagishi; Nasuo Ueda","Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction","Journal of Organic Chemistry","2004","69","","959","963","10.1021/jo035280q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4020791","14.908","0.002","8.2274","0.0009","18.524","0.002","90","","109.164","0.003","90","","2146.1","0.4","293.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C112 H104 O8 -","4","1","","Naoki Kise; Yasuo Kitagishi; Nasuo Ueda","Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction","Journal of Organic Chemistry","2004","69","","959","963","10.1021/jo035280q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4020792","13.392","0.002","10.953","0.001","28.412","0.002","89","","89","","90","","4167.2","0.8","293.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C224 H208 O16 -","8","1","","Naoki Kise; Yasuo Kitagishi; Nasuo Ueda","Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction","Journal of Organic Chemistry","2004","69","","959","963","10.1021/jo035280q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4020793","10.085","0.004","20.08","0.007","5.43","0.002","90","","90.23","0.02","90","","1099.6","0.6","213","1","213","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F N O5 S -","- C10 H8 F N O5 S -","- C40 H32 F4 N4 O20 S4 -","4","1","","Katsutoshi Suzuki; Toshio Fuchigami","Electrolytic Partial Fluorination of Organic Compounds. 71. Highly Diastereoselective Anodic Fluorination of Sulfides Having Oxygen-Containing Heterocyclic Groups","Journal of Organic Chemistry","2004","69","","1276","1282","10.1021/jo035291j","","","","","","","0.0869","","","0.176","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00","" "4020794","8.4301","0.0006","11.752","0.0009","21.968","0.0017","90","","90","","90","","2176.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H15 I O2 -","- C9 H15 I O2 -","- C72 H120 I8 O16 -","8","1","","Francesca Peri; Enrico Binassi; Antonio Manetto; Emanuela Marotta; Andrea Mazzanti; Paolo Righi; Noemi Scardovi; Goffredo Rosini","Preparation of Bicyclo[3.2.0]heptane-2-endo,7-endo-diols: 1,3-Diols with a Chiral Rigid Backbone","Journal of Organic Chemistry","2004","69","","1353","1356","10.1021/jo035324v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020795","9.6661","0.0006","9.9694","0.0006","21.165","0.0014","90","","90","","90","","2039.6","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Shawn R. Hitchcock; David M. Casper; Jeremy F. Vaughn; Jennifer M. Finefield; Gregory M. Ferrence; Joel M. Esken","Intramolecular Chiral Relay at Stereogenic Nitrogen. Synthesis and Application of a New Chiral Auxiliary Derived from (1R,2S)-Norephedrine and Acetone","Journal of Organic Chemistry","2004","69","","714","718","10.1021/jo035325n","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58","" "4020796","7.4888","0.0005","15.2345","0.0011","10.0221","0.0005","90","","98.888","0.005","90","","1129.67","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","","Urlam Murali Krishna; Kodand D. Deodhar; Girish K. Trivedi; Shaikh M. Mobin","Novel Route to Functionalized Cyclooctanoids via [5+3] Cycloaddition","Journal of Organic Chemistry","2004","69","","967","969","10.1021/jo0353583","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00","" "4020797","10.502","0.0013","10.656","0.001","12.985","0.0018","90","","109.664","0.01","90","","1368.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Urlam Murali Krishna; Kodand D. Deodhar; Girish K. Trivedi; Shaikh M. Mobin","Novel Route to Functionalized Cyclooctanoids via [5+3] Cycloaddition","Journal of Organic Chemistry","2004","69","","967","969","10.1021/jo0353583","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00","" "4020798","5.9032","0.0004","15.6841","0.0012","12.9404","0.001","90","","100.906","0.003","90","","1176.47","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 O11 S2 -","- C22 H24 O11 S2 -","- C44 H48 O22 S4 -","2","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020799","6.9869","0.0001","10.6937","0.0002","20.5161","0.0005","90","","90","","90","","1532.88","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O7 S -","- C15 H16 O7 S -","- C60 H64 O28 S4 -","4","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020800","10.3321","0.0002","13.48","0.0003","11.4618","0.0002","90","","107.376","0.002","90","","1523.51","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C72 H60 Br4 O12 -","4","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00","" "4020801","5.7909","0.0003","9.3699","0.0004","15.5907","0.0008","90","","95.641","0.002","90","","841.86","0.07","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020802","9.0331","0.0012","9.5368","0.0013","11.185","0.0016","106.07","0.003","111.336","0.002","102.614","0.003","805.77","0.19","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Br2 N O2 -","- C16 H21 Br2 N O2 -","- C32 H42 Br4 N2 O4 -","2","1","","Fedor I. Zubkov; Eugenia V. Nikitina; Konstantin F. Turchin; Grigorii G. Aleksandrov; Anastasia A. Safronova; Roman S. Borisov; Alexey V. Varlamov","Wagner-Meerwein Skeletal Rearrangement of 3-Spiroannulated 6,8a-Epoxy- and 6,8a;7,8-Diepoxyisoquinolines (3-Aza-11-oxatricyclo[6.2.1.0^1,6^]undec-9-enes). Isolation and Identification of 5-Aza-2-oxatricyclo[6.2.1.0^3,9^]undec-3-enes","Journal of Organic Chemistry","2004","69","","432","438","10.1021/jo0353684","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "4020803","9.1726","0.0017","9.903","0.0019","10.0782","0.0019","112.099","0.003","101.216","0.004","96.596","0.004","814","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Fedor I. Zubkov; Eugenia V. Nikitina; Konstantin F. Turchin; Grigorii G. Aleksandrov; Anastasia A. Safronova; Roman S. Borisov; Alexey V. Varlamov","Wagner-Meerwein Skeletal Rearrangement of 3-Spiroannulated 6,8a-Epoxy- and 6,8a;7,8-Diepoxyisoquinolines (3-Aza-11-oxatricyclo[6.2.1.0^1,6^]undec-9-enes). Isolation and Identification of 5-Aza-2-oxatricyclo[6.2.1.0^3,9^]undec-3-enes","Journal of Organic Chemistry","2004","69","","432","438","10.1021/jo0353684","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "4020804","10.01","0.0003","6.249","0.0002","13.879","0.0005","90","","101.145","0.001","90","","851.79","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","cis-4-hydroxypiperidinone","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020805","6.188","0.0005","9.629","0.0008","14.732","0.0012","90","","98.87","0.004","90","","867.3","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","enol form of 4,6-dioxopipridine 4a","","","- C15 H23 N O6 -","- C15 H23 N O6 -","- C30 H46 N2 O12 -","2","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020806","6.24","0.0002","13.546","0.0004","29.709","0.0009","90","","90","","90","","2511.21","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","trans-4-hydroxy-pipecolate derivative","","","- C22 H30 N2 O8 -","- C22 H30 N2 O8 -","- C88 H120 N8 O32 -","4","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020807","9.8807","0.0004","9.8807","0.0004","14.949","0.001","90","","90","","120","","1263.92","0.11","293","2","293","2","","","","","","","","4","P 31","P 31","144","pipecolate derivative","","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C45 H75 N3 O12 -","3","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020808","25.067","0.003","5.9507","0.0008","33.816","0.005","90","","100.497","0.002","90","","4959.9","1.2","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C224 H256 O64 -","8","1","","Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga","Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular ""Rocking Chair""","Journal of Organic Chemistry","2004","69","","1337","1345","10.1021/jo0353987","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020809","10.205","0.003","11.005","0.004","14.124","0.005","93.024","0.006","102.766","0.006","99.552","0.006","1519","0.8","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 Cl3 O8 -","- C29 H33 Cl3 O8 -","- C58 H66 Cl6 O16 -","2","1","","Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga","Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular ""Rocking Chair""","Journal of Organic Chemistry","2004","69","","1337","1345","10.1021/jo0353987","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "4020810","11.525","0.004","12.933","0.005","17.095","0.006","90","","94.762","0.007","90","","2539.3","1.5","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C112 H128 O32 -","4","1","","Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga","Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular ""Rocking Chair""","Journal of Organic Chemistry","2004","69","","1337","1345","10.1021/jo0353987","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178386","2020-10-21","18:00:00","" "4020811","6.3899","0.0016","9.466","0.002","13.63","0.004","100.278","0.003","102.391","0.004","99.08","0.004","775.6","0.3","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C26 H46 N2 O10 -","2","1","","James E. Tarver, Jr.; Madeleine M. Joullié","Synthesis of γ,δ-Unsaturated and γ,ε-Unsaturated α-Amino Acids from Fragmentation of γ- and δ-Lactones","Journal of Organic Chemistry","2004","69","","815","820","10.1021/jo035401m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "4020812","12.8067","0.0008","7.4743","0.0005","22.3194","0.0014","90","","102.372","0.001","90","","2086.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Daniele Casarini; Stefano Grilli; Lodovico Lunazzi; Andrea Mazzanti","Conformational Studies by Dynamic NMR. 97. Structure, Conformation, Stereodynamics and Enantioseparation of Aryl Substituted Norbornanes","Journal of Organic Chemistry","2004","69","","345","351","10.1021/jo035411n","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00","" "4020813","8.969","0.001","12.185","0.002","20.729","0.004","90","","90","","90","","2265.4","0.6","100","2","100","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C21 H28 N4 O7 -","- C21 H28 N4 O7 -","- C84 H112 N16 O28 -","4","1","","Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust","Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect","Journal of Organic Chemistry","2004","69","","536","542","10.1021/jo035416k","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35","" "4020814","8.3587","0.0002","13.4737","0.0003","15.2534","0.0004","90","","90","","90","","1717.88","0.07","100","2","100","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C15 H25 F6 O P -","- C15 H25 F6 O P -","- C60 H100 F24 O4 P4 -","4","1","","Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust","Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect","Journal of Organic Chemistry","2004","69","","536","542","10.1021/jo035416k","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35","" "4020816","21.517","0.004","7.416","0.002","24.716","0.005","90","","109.82","0.02","90","","3710.4","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 F3 O4 S -","- C18 H19 F3 O4 S -","- C144 H152 F24 O32 S8 -","8","1","","Yu-Shiang Lin; Shi-Yi Chang; Ming-Shyong Yang; Chitneni Prasad Rao; Rama Krishna Peddinti; Yow-Fu Tsai; Chun-Chen Liao","Diels-Alder Reactions of 4-Triflyloxy-2,6,6-trimethyl-2,4-cyclohexadienone. An Expedient Methodology for the Synthesis of Bicyclo[2.2.2]oct-5-en-2-ones and Bicyclo[2.2.2]octa-5,7-dien-2-ones","Journal of Organic Chemistry","2004","69","","447","458","10.1021/jo035429y","","","","","","","0.0837","","","0.2795","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00","" "4020817","5.585","0.002","15.254","0.006","21.048","0.008","90","","90","","90","","1793.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C72 H92 N4 O24 -","4","1","","Juhienah K. Khalaf; Apurba Datta","An Efficient and Highly Stereocontrolled Route to Bulgecinine hydrochloride.","Journal of Organic Chemistry","2004","69","","387","390","10.1021/jo035441q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020818","15.952","0.002","18.974","0.001","7.667","0.002","90","","90","","90","","2320.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O4 S -","- C23 H30 N2 O4 S -","- C92 H120 N8 O16 S4 -","4","1","","Hideto Miyabe; Yousuke Yamaoka; Takeaki Naito; Yoshiji Takemoto","Palladium-Indium Iodide-Mediated Allylation and Propargylation of Glyoxylic Oxime Ether and Hydrazone: The Role of Water in Directing the Diastereoselective Allylation","Journal of Organic Chemistry","2004","69","","1415","1418","10.1021/jo035442i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020819","6.3512","0.0002","19.182","0.001","22.116","0.0009","90","","91.623","0.003","90","","2693.3","0.2","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N2 O5 -","- C6 H12 N2 O5 -","- C72 H144 N24 O60 -","12","3","","Satoshi Shimono; Rui Tamura; Naohiko Ikuma; Tatsuya Takimoto; Naoyuki Kawame; Osamu Tamada; Naoko Sakai; Hiroaki Matsuura; Jun Yamauchi","Preparation and Characterization of New Chiral Nitronyl Nitroxides Bearing a Stereogenic Center in the Imidazolyl Framework","Journal of Organic Chemistry","2004","69","","475","481","10.1021/jo0354443","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020820","6.3253","0.0004","13.884","0.001","10.506","0.001","90","","91.63","0.005","90","","922.3","0.12","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 N2 O8 -","- C16 H24 N2 O8 -","- C32 H48 N4 O16 -","2","1","","Satoshi Shimono; Rui Tamura; Naohiko Ikuma; Tatsuya Takimoto; Naoyuki Kawame; Osamu Tamada; Naoko Sakai; Hiroaki Matsuura; Jun Yamauchi","Preparation and Characterization of New Chiral Nitronyl Nitroxides Bearing a Stereogenic Center in the Imidazolyl Framework","Journal of Organic Chemistry","2004","69","","475","481","10.1021/jo0354443","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4020821","14.5155","0.001","6.3411","0.001","20.747","0.001","90","","108.151","0.01","90","","1814.6","0.3","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 -","- C22 H32 -","- C88 H128 -","4","1","","Akin Azizoǧlu; Recep Özen; Tuncer Hökelek; Metin Balci","Incorporation of an Allene Unit into α-Pinene: Generation of the Cyclic Allene 2,7,7-Trimethylbicyclo[4.1.1]octa-2,3-diene and Its Dimerization","Journal of Organic Chemistry","2004","69","","1202","1206","10.1021/jo035450z","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00","" "4020822","11.3287","0.0004","21.4409","0.0008","14.6543","0.0006","90","","102.941","0.001","90","","3469.1","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H33 N7 O7 -","- C39 H33 N7 O7 -","- C156 H132 N28 O28 -","4","1","","Mickaël Pauvert; Patrick Laine; Marco Jonas; Olaf Wiest","Toward an Artificial Oxidative DNA Photolyase","Journal of Organic Chemistry","2004","69","","543","548","10.1021/jo0354600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020823","15.5081","0.0003","21.0872","0.0004","7.0796","0.0001","90","","90","","90","","2315.18","0.08","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C108 H128 O12 -","4","1","","Ken Tsutsumi; Hiroaki Nakano; Akinori Furutani; Katsunori Endou; Abdurshit Merpuge; Takuya Shintani; Tsumoru Morimoto; Kiyomi Kakiuchi","Novel Enhancement of Diastereoselectivity of [2 + 2] Photocycloaddition of Chiral Cyclohexenones to Ethylene by Adding Naphthalenes","Journal of Organic Chemistry","2004","69","","785","789","10.1021/jo0354746","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020824","11.0801","0.0009","20.731","0.002","10.85","0.0009","90","","90","","90","","2492.2","0.4","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 O3 -","- C29 H36 O3 -","- C116 H144 O12 -","4","1","","Ken Tsutsumi; Hiroaki Nakano; Akinori Furutani; Katsunori Endou; Abdurshit Merpuge; Takuya Shintani; Tsumoru Morimoto; Kiyomi Kakiuchi","Novel Enhancement of Diastereoselectivity of [2 + 2] Photocycloaddition of Chiral Cyclohexenones to Ethylene by Adding Naphthalenes","Journal of Organic Chemistry","2004","69","","785","789","10.1021/jo0354746","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020825","6.7469","0.0003","15.7432","0.0008","23.136","0.0012","90","","90","","90","","2457.5","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Cl N2 O4 -","- C27 H27 Cl N2 O4 -","- C108 H108 Cl4 N8 O16 -","4","1","","James R. Burgeson; Matthew K. Renner; Ingo Hardt; Gregory M. Ferrence; Jean M. Standard; Shawn R. Hitchcock","Toward the Development of a Structurally Novel Class of Chiral Auxiliaries. Conformational Properties of the Aldol Adducts of Oxadiazinones: Observation of Unusual Shielding Effects","Journal of Organic Chemistry","2004","69","","727","734","10.1021/jo035481u","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58","" "4020826","8.6202","0.0004","10.0407","0.0005","18.1422","0.0009","90","","90","","90","","1570.26","0.13","198","2","198","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","","Stéphane Trudeau; Pierre Deslongchamps","Novel Synthesis of Highly Functionalized 14-β-Hydroxysteroids Related to Batrachotoxin and Ouabain","Journal of Organic Chemistry","2004","69","","832","838","10.1021/jo0355606","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020827","14.5229","0.0017","7.5825","0.0009","14.5426","0.0018","90","","96.375","0.002","90","","1591.5","0.3","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H44 O8 Si -","- C33 H44 O8 Si -","- C66 H88 O16 Si2 -","2","1","","Stéphane Trudeau; Pierre Deslongchamps","Novel Synthesis of Highly Functionalized 14-β-Hydroxysteroids Related to Batrachotoxin and Ouabain","Journal of Organic Chemistry","2004","69","","832","838","10.1021/jo0355606","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178386","2020-10-21","18:00:00","" "4020828","12.9","0.005","7.216","0.002","13.626","0.003","90","","116.23","0.02","90","","1137.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 I O3 -","- C11 H9 I O3 -","- C44 H36 I4 O12 -","4","1","","Shengming Ma; Bin Wu; Zhangjie Shi","An Efficient Synthesis of 4-Halo-5-hydroxyfuran-2(5H)-ones via the Sequential Halolactonization and γ-Hydroxylation of 4-Aryl-2,3-alkadienoic Acids","Journal of Organic Chemistry","2004","69","","1429","1431","10.1021/jo0355698","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020829","9.654","0.002","12.542","0.002","13.779","0.003","102.905","0.003","105.5","0.003","107.444","0.003","1447.7","0.5","100","0.2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H78 Cl6 O4 -","- C64 H78 Cl6 O4 -","- C64 H78 Cl6 O4 -","1","0.5","","Samah Simaan; Silvio E. Biali","A ""Classical"" Tetrahydroxycalix[4]arene Adopting the 1,2-Alternate Conformation","Journal of Organic Chemistry","2004","69","","95","98","10.1021/jo035573j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "4020830","5.0372","0.0012","23.824","0.005","9.899","0.002","90","","98.69","0.02","90","","1174.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C52 H48 N4 O8 S2 -","2","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0441","","","0.1163","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020831","7.902","0.002","8.256","0.003","8.859","0.003","78.4","0.02","76.73","0.02","87.96","0.03","551","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0327","","","0.091","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020832","8.056","0.005","8.326","0.005","8.751","0.006","77.78","0.05","78.13","0.05","89.88","0.05","560.9","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.049","","","0.1271","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020833","7.889","0.005","8.294","0.005","8.727","0.005","79.7","0.05","74.71","0.04","87.15","0.05","541.9","0.5","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H21 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0297","","","0.0835","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020834","10.115","0.0001","7.9411","0.0001","12.0742","0.0001","90","","109.922","0.001","90","","911.812","0.016","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","José Luis García Ruano; Carlos Alemparte","Synthesis and Dienophilic Behavior of (S)-2-Cyano-3-(p-tolylsulfinyl)-1,4-benzoquinone","Journal of Organic Chemistry","2004","69","","1405","1408","10.1021/jo035629+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020835","9.152","0.002","10.857","0.001","16.9778","0.0009","90","","104.2","0.008","90","","1635.4","0.6","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Ian W. Davies; Jean-François Marcoux; Jeffery T. Kuethe; Michael D. Lankshear; Jeremy D. O. Taylor; Nancy Tsou; Peter G. Dormer; David L. Hughes; K. N. Houk; Vildan Guner","Demonstrating the Synergy of Synthetic, Mechanistic, and Computational Studies in a Regioselective Aniline Synthesis","Journal of Organic Chemistry","2004","69","","1298","1308","10.1021/jo035677u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4020836","9.7224","0.0008","10.4293","0.0009","10.3489","0.0009","90","","104.695","0.002","90","","1015.03","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 N4 O5 -","- C19 H32 N4 O5 -","- C38 H64 N8 O10 -","2","1","","I. Nageshwara Rao; Anima Boruah; S. Kiran Kumar; A. C. Kunwar; A. Sivalakshmi Devi; K. Vyas; Krishnan Ravikumar; Javed Iqbal","Synthesis and Conformational Studies of Novel Cyclic Peptides Constrained into a 3~10~ Helical Structure by a Heterochiral D-Pro-L-Pro Dipeptide Template","Journal of Organic Chemistry","2004","69","","2181","2184","10.1021/jo030282w","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4020837","18.076","0.0005","8.1759","0.0003","14.5553","0.0005","90","","110.453","0.005","90","","2015.5","0.1","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","","Sini