# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-08T06:32:21+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Organic Chemistry') AND volume = 78 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
"4027832","8.0216","0.0009","9.3199","0.001","10.0691","0.0011","79.315","0.002","72.178","0.002","76.04","0.002","690.39","0.13","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C30 H46 N2 O8 -","2","1","","Stephen M. Canham; David J. France; Larry E. Overman","Total Synthesis of (+)-Sieboldine A: Evolution of a Pinacol-Terminated Cyclization Strategy","Journal of Organic Chemistry","2013","78","","9","34","10.1021/jo300872y","","","0.71073","MoKα","","0.0519","0.0369","","","0.0896","0.1","","","","","","1.022","","","","has coordinates","301812","2025-08-19","20:48:27",""
"4027833","8.3685","0.0003","10.298","0.0004","12.6902","0.0005","70.9236","0.0004","83.1057","0.0004","72.6356","0.0004","986.16","0.07","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C46 H58 N2 O10 -","2","1","","Stephen M. Canham; David J. France; Larry E. Overman","Total Synthesis of (+)-Sieboldine A: Evolution of a Pinacol-Terminated Cyclization Strategy","Journal of Organic Chemistry","2013","78","","9","34","10.1021/jo300872y","","","0.71073","MoKα","","0.0384","0.0358","","","0.0955","0.0979","","","","","","1.048","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027834","8.2418","0.0007","21.0733","0.0017","14.2997","0.0012","90","","102.257","0.001","90","","2427","0.3","98","2","98","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H32 N2 O9 S -","- C24 H32 N2 O9 S -","- C96 H128 N8 O36 S4 -","4","1","","Stephen M. Canham; David J. France; Larry E. Overman","Total Synthesis of (+)-Sieboldine A: Evolution of a Pinacol-Terminated Cyclization Strategy","Journal of Organic Chemistry","2013","78","","9","34","10.1021/jo300872y","","","0.71073","MoKα","","0.0264","0.0251","","","0.0635","0.0645","","","","","","1.019","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027835","8.9733","0.0018","19.948","0.004","34.123","0.007","90","","90","","90","","6108","2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H44 O6 -","- C36 H44 O6 -","- C288 H352 O48 -","8","1","","Jihong Gao; Josephine Orso Simon; Russell Rodrigo; Abdeljalil Assoud","From Chiral ortho-Benzoquinone Monoketals to Nonracemic Indolinocodeines through Diels-Alder and Cope Reactions","Journal of Organic Chemistry","2013","78","","48","58","10.1021/jo3014098","","","0.71073","MoKα","","0.075","0.0607","","","0.1117","0.1158","","","","","","1.307","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027836","9.7491","0.0015","21.6842","0.0017","9.9916","0.0014","90","","105.495","0.011","90","","2035.5","0.5","250","","250","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 O2 -","- C21 H36 O2 -","- C84 H144 O8 -","4","1","","Aurélien Denichoux; Laurent Debien; Mathieu Cyklinsky; Malika Kaci; Fabrice Chemla; Franck Ferreira; Alejandro Pérez-Luna","Three-Carbon Homologation of Diorganozincs with Lithiated Acetylenic Epoxides","Journal of Organic Chemistry","2013","78","","134","145","10.1021/jo302128n","","","0.71073","MoKα","","0.1055","0.0511","","0.0921","0.0571","0.0571","","","","","","1.0129","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027837","8.2811","0.0008","21.745","0.002","7.6197","0.0008","90","","90.755","0.007","90","","1372","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Nayyef Aljaar; Chandi C. Malakar; Jürgen Conrad; Wolfgang Frey; Uwe Beifuss","Reaction of 1-Nitroso-2-naphthols with α-Functionalized Ketones and Related Compounds: The Unexpected Formation of Decarbonylated 2-Substituted Naphtho[1,2-d][1,3]oxazoles","Journal of Organic Chemistry","2013","78","","154","166","10.1021/jo3022956","","","0.71073","MoKα","","0.0985","0.047","","","0.0874","0.0974","","","","","","1.057","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027838","9.1901","0.0002","13.8414","0.0002","10.03","0.0002","90","","104.9","0.001","90","","1232.96","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 P2 S6 -","- C5 H10 P2 S6 -","- C20 H40 P8 S24 -","4","1","","Aviran Amir; Alon H. Sayer; Rostislav Zagalsky; Linda J. W. Shimon; Bilha Fischer","O,O'-Diester Methylenediphosphonotetrathioate: Synthesis, Characterization, and Potential Applications","Journal of Organic Chemistry","2013","78","","270","277","10.1021/jo301786m","","","0.71073","MoKα","","0.042","0.0361","","","0.0941","0.0992","","","","","","1.136","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027839","8.6963","0.0002","10.4629","0.0003","25.1241","0.0007","90","","90","","90","","2286","0.11","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O5 S2 -","- C19 H25 F3 N2 O5 S2 -","- C76 H100 F12 N8 O20 S8 -","4","1","","William J. Morris; Kiran K. Muppalla; Cameron Cowden; Richard G. Ball","Stereoselective Addition of 2-Phenyloxazol-4-yl Trifluoromethanesulfonate to N-Sulfinyl Imines: Application to the Synthesis of the HCV Protease Inhibitor Boceprevir","Journal of Organic Chemistry","2013","78","","706","710","10.1021/jo301856f","","","0.7107","MoKα","","","0.03","","","0.07","0.073","","","","","","1.043","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027840","10.515","0.002","10.515","0.002","6.565","0.003","90","","90","","120","","628.6","0.3","130","2","130","2","","","","","","","","3","P 31","P 31","144","","","","- C9 H16 O -","- C9 H16 O -","- C27 H48 O3 -","3","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0598","0.0421","","","0.0701","0.0781","","","","","","0.885","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027841","10.2043","0.0006","11.1772","0.0007","12.159","0.0008","90","","90","","90","","1386.8","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0391","0.0378","","","0.0976","0.0986","","","","","","1.025","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027842","9.7057","0.0008","11.5435","0.0009","29.504","0.002","90","","90","","90","","3305.6","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C128 H144 N16 O48 -","8","2","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0903","0.0438","","","0.0639","0.0731","","","","","","0.699","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027843","7.0798","0.0002","32.916","0.0006","7.4809","0.0002","90","","113.621","0.003","90","","1597.28","0.08","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","2","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0379","0.0353","","","0.0945","0.0957","","","","","","1.022","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027844","7.7048","0.0007","9.761","0.0009","9.6507","0.0009","90","","98.352","0.002","90","","718.1","0.11","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0347","0.0334","","","0.0795","0.0804","","","","","","1.043","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027845","10.6165","0.0007","10.9588","0.0011","11.8491","0.001","90","","90","","90","","1378.6","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0536","0.0373","","","0.0792","0.0832","","","","","","0.838","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027846","18.527","0.0003","7.489","0.0001","11.4673","0.0002","90","","96.453","0.002","90","","1580.99","0.04","130","2","130","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0364","0.0351","","","0.0974","0.0986","","","","","","1.05","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027847","7.2654","0.0006","8.3363","0.0007","12.6898","0.0011","90","","105.698","0.001","90","","739.91","0.11","130","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0304","0.0299","","","0.0764","0.0768","","","","","","1.09","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027848","10.054","0.003","12.268","0.003","14.045","0.003","90","","90","","90","","1732.3","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Nucleoside","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C84 H76 N12 O12 -","4","1","","Subhendu Sekhar Bag; Sangita Talukdar; Katsuhiko Matsumoto; Rajen Kundu","Triazolyl Donor/Acceptor Chromophore Decorated Unnatural Nucleosides and Oligonucleotides with Duplex Stability Comparable to That of a Natural Adenine/Thymine Pair","Journal of Organic Chemistry","2013","78","","278","291","10.1021/jo302033f","","x-ray","0.71073","MoKα","","0.1127","0.0522","","","0.0997","0.1184","","","","","","0.961","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027849","8.375","0.004","12.038","0.006","18.163","0.009","101.924","0.01","99.082","0.009","106.005","0.009","1676.7","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 N2 P2 Pd -","- C32 H56 N2 P2 Pd -","- C64 H112 N4 P4 Pd2 -","2","1","","Xiaotao Pu; Hongbo Li; Thomas J. Colacot","Heck Alkynylation (Copper-Free Sonogashira Coupling) of Aryl and Heteroaryl Chlorides, Using Pd Complexes of t-Bu2(p-NMe2C6H4)P: Understanding the Structure-Activity Relationships and Copper Effects","Journal of Organic Chemistry","2013","78","","568","581","10.1021/jo302195y","","","0.71073","MoKα","","0.1055","0.0728","","","0.1787","0.2024","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027850","12.3722","0.0006","8.8919","0.0004","20.1596","0.001","90","","92.913","0.003","90","","2214.94","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Alkyidene Furan","(Z)-N-(2-(5,5-diphenyldihydrofuran-3(2H)-ylidene)ethyl) -4-methylbenzenesulfonamide","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Venkataraman Ganesh; Taraknath Kundu; Srinivasan Chandrasekaran","Electrophile-Induced C-C Bond Activation of Vinylcyclopropanes for the Synthesis of Z-Alkylidenetetrahydrofurans","Journal of Organic Chemistry","2013","78","","380","399","10.1021/jo302204k","","","0.71073","MoKα","","0.1425","0.0564","","","0.1335","0.1572","","","","","","0.959","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027851","15.003","0.003","5.577","0.0011","17.973","0.004","90","","102.02","0.004","90","","1470.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N2 S2 -","- C30 H40 N2 S2 -","- C60 H80 N4 S4 -","2","0.5","","Yu Xiong; Qinghe Wu; Jie Li; Shitao Wang; Xike Gao; Hongxiang Li","Electron-Rich Pyrroloindacenodithiophenes: Synthesis, Characterization, and Spectroscopic Studies","Journal of Organic Chemistry","2013","78","","752","756","10.1021/jo3022154","","","0.71073","MoKα","","0.0957","0.062","","","0.1571","0.1761","","","","","","1.045","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4027852","35.045","0.003","5.4519","0.0005","24.299","0.002","90","","117.063","0.002","90","","4134.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N2 S2 -","- C42 H48 N2 S2 -","- C168 H192 N8 S8 -","4","0.5","","Yu Xiong; Qinghe Wu; Jie Li; Shitao Wang; Xike Gao; Hongxiang Li","Electron-Rich Pyrroloindacenodithiophenes: Synthesis, Characterization, and Spectroscopic Studies","Journal of Organic Chemistry","2013","78","","752","756","10.1021/jo3022154","","","0.71073","MoKα","","0.0781","0.0666","","","0.1593","0.1669","","","","","","1.089","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027853","9.9283","0.0006","17.019","0.002","16.7464","0.001","90","","96.924","0.005","90","","2809","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 N3 O4 -","- C36 H27 N3 O4 -","- C144 H108 N12 O16 -","4","1","","Xinyao Li; Jiaxi Xu","Annuloselectivity in Cycloadditions of Ketenes with Imines: A DFT Study","Journal of Organic Chemistry","2013","78","","347","355","10.1021/jo302216d","","","0.7107","MoKα","","0.0894","0.0543","","","0.0966","0.1105","","","","","","1.057","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027854","17.3383","0.0013","10.5149","0.0008","12.2836","0.0009","90","","98.172","0.001","90","","2216.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 F N O6 -","- C18 H30 F N O6 -","- C72 H120 F4 N4 O24 -","4","1","","Gaëlle Milanole; Samuel Couve-Bonnaire; Jean-François Bonfanti; Philippe Jubault; Xavier Pannecoucke","Synthesis of Fluorinated Cyclopropyl Amino Acid Analogues: Toward the Synthesis of Original Fluorinated Peptidomimetics.","Journal of Organic Chemistry","2013","78","","212","223","10.1021/jo302222n","","x-ray","0.71073","MoKα","","0.0803","0.0527","","","0.142","0.1616","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027855","8.551","0.001","21.374","0.004","17.241","0.002","90","","104.26","0.01","90","","3054","0.8","293","2","293","2","","","","","","","prof.Paolo Quadrelli","4","P 1 21/c 1","-P 2ybc","14","","N-mesitoyl-3,3-dimethyl-5-hydroxyl-isoxazolidine","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C120 H168 N8 O24 -","8","2","","Paolo Quadrelli; Mariella Mella; Serena Carosso; Bruna Bovio","N,O-Nucleosides from Ene Reactions of Nitrosocarbonyl Intermediates with the 3-Methyl-2-buten-1-ol","Journal of Organic Chemistry","2013","78","","516","526","10.1021/jo302346a","","","0.710738","MoKα","","","0.0482","","","","0.1121","","","","","","0.871","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027856","7.7285","0.0015","15.223","0.003","27.208","0.005","95.5","0.03","94.23","0.03","100.07","0.03","3123.8","1.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H44 O10 -","- C33 H44 O10 -","- C132 H176 O40 -","4","2","","Graham K. Murphy; Tatsuya Shirahata; Naoto Hama; Aaron Bedermann; Ping Dong; Travis C. McMahon; Barry M. Twenter; David A. Spiegel; Ivar M. McDonald; Nobuaki Taniguchi; Munenori Inoue; John L. Wood","Toward the Synthesis of Phomoidride D","Journal of Organic Chemistry","2013","78","","477","489","10.1021/jo302353g","","","0.71073","MoKα","","0.1648","0.0746","","","0.1749","0.2127","","","","","","1.063","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027857","21.99","0.004","15.567","0.003","22.168","0.004","90","","97.75","0.03","90","","7519","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H52 O8 S4 -","- C37 H52 O8 S4 -","- C296 H416 O64 S32 -","8","2","","Graham K. Murphy; Tatsuya Shirahata; Naoto Hama; Aaron Bedermann; Ping Dong; Travis C. McMahon; Barry M. Twenter; David A. Spiegel; Ivar M. McDonald; Nobuaki Taniguchi; Munenori Inoue; John L. Wood","Toward the Synthesis of Phomoidride D","Journal of Organic Chemistry","2013","78","","477","489","10.1021/jo302353g","","","0.71073","MoKα","","0.1542","0.0717","","","0.1646","0.2028","","","","","","1.04","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027858","5.7281","0.0009","26.834","0.004","8.6983","0.0014","90","","97.977","0.004","90","","1324.1","0.4","143","1","143","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O6 -","- C17 H12 O6 -","- C68 H48 O24 -","4","1","","Erin E. Podlesny; Marisa C. Kozlowski","Divergent Approach to the Bisanthraquinone Natural Products: Total Synthesis of (S)-Bisoranjidiol and Derivatives from Binaphtho-para-quinones","Journal of Organic Chemistry","2013","78","","466","476","10.1021/jo302364h","","","0.71073","MoKα","","0.0529","0.0478","","","0.131","0.1363","","","","","","1.068","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027859","9.138","0.0006","9.382","0.0006","17.5827","0.0012","90","","90","","90","","1507.41","0.17","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R)-3-acetamido-3-methyl-1-[1-(1S)-(N-methylcarbamoyl)phenylmethyl]azetidin- 2-one","","- C15 H19 N3 O3 -","- C15 H19 N3 O3 -","- C60 H76 N12 O12 -","4","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.059","0.0457","","","0.1097","0.1208","","","","","","1.073","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027860","5.7004","0.0002","7.3619","0.0003","8.3143","0.0003","108.938","0.0017","90.932","0.002","104.803","0.002","317.19","0.02","160","1","160","1","","","","","","","","4","P 1","P 1","1","","(3R)-3-acetamido-3-methyl-1-[1-(N-methylcarbamoyl)isopropyl]azetidin-2-one","","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","1","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0421","0.039","","","0.0987","0.102","","","","","","1.091","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027861","9.5901","0.0003","10.9851","0.0003","13.8555","0.0004","90","","96.0403","0.0016","90","","1451.55","0.07","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-{(3R)-benzyl-3-[2-(tert-butoxycarbonylamino)-(2R)-propanamido]- 2-oxoazetidin-1-yl}-2-methylpro panamido)-(2R)-propanamide","","- C26 H41 N5 O7 -","- C26 H41 N5 O7 -","- C52 H82 N10 O14 -","2","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0703","0.0439","","","0.0976","0.1115","","","","","","1.022","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027862","10.4604","0.0002","9.9778","0.0002","14.1658","0.0003","90","","106.443","0.0011","90","","1418.04","0.05","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-{(3R)-benzyl-3-[2-(tert-butoxycarbonylamino)-(2S)-propanamido]- 2-oxoazetidin-1-yl}-2-methylpro panamido)-(2R)-propanamide","","- C25 H39 N5 O7 -","- C25 H39 N5 O7 -","- C50 H78 N10 O14 -","2","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0619","0.0537","","","0.1409","0.1478","","","","","","1.071","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027863","7.3928","0.0006","9.1829","0.0008","14.4452","0.0013","87.961","0.007","86.302","0.007","71.408","0.008","927.42","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br N3 O3 -","- C22 H14 Br N3 O3 -","- C44 H28 Br2 N6 O6 -","2","1","","Subburethinam Ramesh; Rajagopal Nagarajan","A Formal Synthesis of Lavendamycin Methyl Ester, Nitramarine, and Their Analogues: A Povarov Approach","Journal of Organic Chemistry","2013","78","","545","558","10.1021/jo302389s","","","0.71073","MoKα","","0.0476","0.0353","","","0.0779","0.0831","","","","","","1.028","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027864","7.5921","0.0005","12.0779","0.0009","18.0873","0.0014","90","","90","","90","","1658.5","0.2","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br F N2 O4 -","- C17 H12 Br F N2 O4 -","- C68 H48 Br4 F4 N8 O16 -","4","1","","Wen-Ting Meng; Yan Zheng; Jing Nie; Heng-Ying Xiong; Jun-An Ma","Organocatalytic Asymmetric One-Pot Sequential Conjugate Addition/Dearomative Fluorination: Synthesis of Chiral Fluorinated Isoxazol-5(4H)-ones","Journal of Organic Chemistry","2013","78","","559","567","10.1021/jo302419e","","","0.71073","MoKα","","0.0441","0.0374","","","0.0846","0.0888","","","","","","0.945","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027865","9.202","0.002","14.17","0.003","9.299","0.002","90","","98.369","0.006","90","","1199.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C60 H46 N2 O6 -","2","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0723","0.0577","","","0.1276","0.1333","","","","","","0.928","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027866","11.325","0.002","13.892","0.002","17.405","0.003","90","","90","","90","","2738.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 N O4 -","- C33 H29 N O4 -","- C132 H116 N4 O16 -","4","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0972","0.0485","","","0.1071","0.1234","","","","","","0.984","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027867","11.7329","0.0012","13.8113","0.0015","16.8109","0.0018","90","","90","","90","","2724.1","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 Cl2 N O3 -","- C31 H25 Cl2 N O3 -","- C124 H100 Cl8 N4 O12 -","4","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.062","0.0527","","","0.1425","0.1527","","","","","","1.04","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027868","11.536","0.002","16.964","0.003","13.756","0.002","90","","96.314","0.002","90","","2675.7","0.8","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H25 N2 O3 -","- C32 H25 N2 O3 -","- C128 H100 N8 O12 -","4","2","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0664","0.0525","","","0.1446","0.1551","","","","","","1.077","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027869","11.308","0.002","7.4047","0.0015","14.748","0.003","90","","101.928","0.012","90","","1208.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dimethyl-4-(3-methyl-1H-indazol-1-yl)-1H-pyrrole-2,5-dione","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Maria I. L. Soares; Cláudio M. Nunes; Clara S. B. Gomes; Teresa M. V. D. Pinho e Melo","Thiazolo[3,4-b]indazole-2,2-dioxides as Masked Extended Dipoles: Pericyclic Reactions of Benzodiazafulvenium Methides","Journal of Organic Chemistry","2013","78","","628","637","10.1021/jo302463q","","x-ray","0.71073","MoKα","","0.0504","0.0389","","","0.1082","0.1145","","","","","","1.084","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027870","8.8106","0.0011","9.7886","0.0014","16.251","0.002","73.623","0.008","87.036","0.007","63.785","0.007","1202","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 O3 Si -","- C24 H40 O3 Si -","- C48 H80 O6 Si2 -","2","1","","J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi","Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy","Journal of Organic Chemistry","2013","78","","673","696","10.1021/jo302542h","","","0.71073","MoKα","","0.0766","0.0501","","","0.1248","0.1386","","","","","","1.04","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027871","11.0342","0.0008","17.6915","0.0014","18.4903","0.0015","90","","90","","90","","3609.5","0.5","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C160 H256 O16 -","8","2","","J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi","Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy","Journal of Organic Chemistry","2013","78","","673","696","10.1021/jo302542h","","x-ray","0.71073","MoKα","","0.1334","0.0601","","","0.1085","0.1257","","","","","","0.957","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027872","6.9388","0.0006","8.185","0.001","33.548","0.003","90","","90","","90","","1905.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi","Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy","Journal of Organic Chemistry","2013","78","","673","696","10.1021/jo302542h","","","0.71075","MoKα","","0.12","0.0743","","","","0.0957","","","","","","1.045","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027873","8.0076","0.0003","10.9331","0.0005","12.8196","0.0006","81.88","0.002","89.829","0.002","75.752","0.002","1076.31","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2R,1'S,2'S,1''R,(S)S] -2-[2'-(1''-Hydroxyisopropyl)-3'-oxocyclopentyl]- 2-[2-(p-tolylsulfinyl)phenyl]propanenitrile","","- C25 H29 N O3 S -","- C25 H29 N O3 S -","- C50 H58 N2 O6 S2 -","2","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","0.71073","MoKα","","0.0435","0.0342","","","0.0811","0.091","","","","","","1.06","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027874","18.156","0.004","10.473","0.002","16.106","0.004","90","","98.386","0.012","90","","3029.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1S,1'S,2'S,1''R,(S)S] - N-[1-(2'-{1''-Cyano-1''-[2-(p-tolyl sulfinyl)phenyl]ethyl}-5'-oxocyclopentyl)-1-(phenyl)methyl-p-toluenesulfonamide","","- C35 H34 N2 O4 S2 -","- C35 H34 N2 O4 S2 -","- C140 H136 N8 O16 S8 -","4","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","0.71073","MoKα","","0.0769","0.0446","","","0.1084","0.1321","","","","","","1.052","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027875","8.4418","0.0014","8.2966","0.0015","13.3072","0.0019","90","","107.831","0.008","90","","887.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,1'S)-2-(3'-Oxocyclopentyl)-2-[2-(p-tolylsulfonyl)phenyl]propanenitrile","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","0.71073","MoKα","","0.0826","0.0539","","","0.1315","0.1498","","","","","","1.082","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027876","8.7205","0.0004","8.3352","0.0003","26.3932","0.001","90","","98.68","0.002","90","","1896.47","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,1'S,2'R)-2-(2'-Methyl-3'-oxocyclopentyl)-2-[2-(p-tolylsulfonyl)- phenyl]propanenitrile","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","2","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","1.54178","CuKα","","0.0522","0.0501","","","0.127","0.1286","","","","","","1.105","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027877","9.634","0.0009","20.589","0.001","9.671","0.001","90","","102.47","0.01","90","","1873","0.3","293","2","293","2","","","","","","","Prof. Paolo Quadrelli","4","P 1 21/n 1","-P 2yn","14","","N-Anthryl-3,3-dimethyl-5-hydroxyl-isoxazolidin acetate","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","","Paolo Quadrelli; Mariella Mella; Serena Carosso; Bruna Bovio","N,O-Nucleosides from Ene Reactions of Nitrosocarbonyl Intermediates with the 3-Methyl-2-buten-1-ol","Journal of Organic Chemistry","2013","78","","516","526","10.1021/jo302346a","","","0.710738","MoKα","","0.098","0.0414","","","","0.133","","","","","","0.989","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027878","12.737","0.003","6.8278","0.0014","13.272","0.003","90","","107.93","0.03","90","","1098.2","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H37 N O4 -","- C22 H37 N O4 -","- C44 H74 N2 O8 -","2","1","","Houhua Li; Xiaoming Wang; Benke Hong; Xiaoguang Lei","Collective Synthesis of Lycopodium Alkaloids and Tautomer Locking Strategy for the Total Synthesis of (-)-Lycojapodine A","Journal of Organic Chemistry","2013","78","","800","821","10.1021/jo3017555","","","0.71073","MoKα","","0.0748","0.0675","","","0.1934","0.2093","","","","","","1.328","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4027879","9.475","0.005","11.821","0.005","13.921","0.005","90","0.005","101.921","0.005","90","0.005","1525.6","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H48 N O S -","- C34 H47 N O S -","- C68 H94 N2 O2 S2 -","2","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1464","0.0939","","","0.2198","0.2762","","","","","","1.056","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027880","6.9982","0.0012","13.753","0.004","24.403","0.007","90","","90","","90","","2348.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O6 S -","- C23 H23 N3 O6 S -","- C92 H92 N12 O24 S4 -","4","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1397","0.0664","","","0.0778","0.098","","","","","","1.013","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027881","6.604","0.005","15.955","0.005","22.405","0.005","90","0.005","90","0.005","90","0.005","2361","2","293","2","293","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C23 H23 N3 O6 S -","- C23 H23 N3 O6 S -","- C92 H92 N12 O24 S4 -","4","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1595","0.0767","","","0.1703","0.2182","","","","","","1.152","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027882","9.975","0.005","6.85","0.005","15.836","0.005","90","0.005","104.034","0.005","90","0.005","1049.8","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 N3 O6 S -","- C19 H23 N3 O6 S -","- C38 H46 N6 O12 S2 -","2","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.0952","0.0518","","","0.1082","0.1365","","","","","","0.946","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027883","5.9102","0.0011","19.665","0.003","16.793","0.003","90","","91.701","0.017","90","","1950.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 N O6 S -","- C19 H23 N O6 S -","- C76 H92 N4 O24 S4 -","4","2","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1855","0.0957","","","0.1918","0.2398","","","","","","0.993","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027884","6.4421","0.0001","13.8099","0.0003","25.0821","0.0005","90","","94.746","0.001","90","","2223.77","0.07","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C21 H23 Br N2 O7 S -","- C21 H23 Br N2 O7 S -","- C84 H92 Br4 N8 O28 S4 -","4","2","","Michelle Bezanson; Joshua Pottel; Rana Bilbeisi; Sylvestre Toumieux; Mickaël Cueto; Nicolas Moitessier","Stereo- and Regioselective Synthesis of Polysubstituted Chiral 1,4-Oxazepanes","Journal of Organic Chemistry","2013","78","","872","885","10.1021/jo3021715","","","1.54178","CuKα","","0.0238","0.0235","","","0.0629","0.0632","","","","","","1.069","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027885","8.0091","0.0003","12.2395","0.0006","16.3039","0.0007","90","","90","","90","","1598.23","0.12","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O3 -","- C16 H18 Br N O3 -","- C64 H72 Br4 N4 O12 -","4","1","","Ai-Bao Xia; Chao Wu; Dan-Qian Xu; Yi-Feng Wang; Xiao-Hua Du; Zhao-Bo Li; Zhen-Yuan Xu","Prolinethiol Ether Catalysis in an Asymmetric Michael Reaction: Solvent-Free Synthesis of Functionalized Monohaloalkenes","Journal of Organic Chemistry","2013","78","","1254","1259","10.1021/jo302288z","","","0.71073","MoKα","","0.0861","0.037","","","0.0688","0.1136","","","","","","1.001","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027886","7.0942","0.0005","13.792","0.0011","17.3108","0.0013","90","","90","","90","","1693.7","0.2","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C68 H80 Br4 N4 O12 -","4","1","","Ai-Bao Xia; Chao Wu; Dan-Qian Xu; Yi-Feng Wang; Xiao-Hua Du; Zhao-Bo Li; Zhen-Yuan Xu","Prolinethiol Ether Catalysis in an Asymmetric Michael Reaction: Solvent-Free Synthesis of Functionalized Monohaloalkenes","Journal of Organic Chemistry","2013","78","","1254","1259","10.1021/jo302288z","","","0.71073","MoKα","","0.1088","0.0396","","","0.0663","0.0905","","","","","","0.947","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027887","7.057","0.0002","11.2036","0.0002","12.3063","0.0003","63.444","0.001","84.133","0.001","71.854","0.001","826.26","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 Br2 O2 -","- C19 H16 Br2 O2 -","- C38 H32 Br4 O4 -","2","1","","Elumalai Gopi; Irishi N. N. Namboothiri","Synthesis of Fused Bromofurans via Mg-Mediated Dibromocyclopropanation of Cycloalkanone-Derived Chalcones and Cloke-Wilson Rearrangement","Journal of Organic Chemistry","2013","78","","910","919","10.1021/jo3022988","","","0.71073","MoKα","","0.0738","0.0461","","","0.1093","0.1236","","","","","","1.105","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027888","11.7848","0.0004","12.5578","0.0008","12.5773","0.0004","97.749","0.003","117.692","0.002","92.803","0.003","1619.82","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 Br2 O -","- C20 H12 Br2 O -","- C80 H48 Br8 O4 -","4","2","","Elumalai Gopi; Irishi N. N. Namboothiri","Synthesis of Fused Bromofurans via Mg-Mediated Dibromocyclopropanation of Cycloalkanone-Derived Chalcones and Cloke-Wilson Rearrangement","Journal of Organic Chemistry","2013","78","","910","919","10.1021/jo3022988","","","0.71073","MoKα","","0.0768","0.0375","","","0.0801","0.0925","","","","","","1.013","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027889","7.9204","0.0003","8.6133","0.0003","25.5389","0.0011","90","","90","","90","","1742.28","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O3 -","- C21 H19 Br O3 -","- C84 H76 Br4 O12 -","4","1","","Elumalai Gopi; Irishi N. N. Namboothiri","Synthesis of Fused Bromofurans via Mg-Mediated Dibromocyclopropanation of Cycloalkanone-Derived Chalcones and Cloke-Wilson Rearrangement","Journal of Organic Chemistry","2013","78","","910","919","10.1021/jo3022988","","","0.71073","MoKα","","0.037","0.028","","","0.0581","0.0603","","","","","","0.972","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027890","11.523","0.004","20.652","0.006","9.308","0.003","90","","112.905","0.005","90","","2040.4","1.1","100","2","100","2","","","","","","","Schmitt Sebastien","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N2 O3 -","- C21 H30 N2 O3 -","- C84 H120 N8 O12 -","4","1","","Sébastien Schmitt; Richard C. D. Brown; Cécile Perrio","Diastereoselective Syntheses of (3R*,4R*)- and (3R*,4S*)-4-Aryl-3-methyl-4-piperidinemethanol and Fluoro Analogues","Journal of Organic Chemistry","2013","78","","1222","1229","10.1021/jo302303h","","","0.71075","MoKα","","0.1862","0.1226","","","0.1956","0.2219","","","","","","1.171","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027891","9.3755","0.0006","10.0021","0.0006","25.2346","0.0015","90","","90","","90","","2366.4","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H41 N O3 Si -","- C22 H41 N O3 Si -","- C88 H164 N4 O12 Si4 -","4","1","","Julie A. Pigza; Jeong-Seok Han; Aroop Chandra; Daniel Mutnick; Maren Pink; Jeffrey N. Johnston","Total Synthesis of the Lycopodium Alkaloid Serratezomine A Using Free Radical-Mediated Vinyl Amination to Prepare a β-Stannyl Enamine Linchpin","Journal of Organic Chemistry","2013","78","","822","843","10.1021/jo302333s","","","0.71073","MoKα","","0.031","0.0296","","","0.0814","0.0827","","","","","","0.987","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027892","24.705","0.009","6.725","0.003","11.915","0.004","90","","97.458","0.009","90","","1962.8","1.3","117","2","117","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H33 N O3.1 Si -","- C19 H33 N O3.098 Si -","- C76 H132 N4 O12.392 Si4 -","4","1","","Julie A. Pigza; Jeong-Seok Han; Aroop Chandra; Daniel Mutnick; Maren Pink; Jeffrey N. Johnston","Total Synthesis of the Lycopodium Alkaloid Serratezomine A Using Free Radical-Mediated Vinyl Amination to Prepare a β-Stannyl Enamine Linchpin","Journal of Organic Chemistry","2013","78","","822","843","10.1021/jo302333s","","","0.71073","MoKα","","0.0482","0.0373","","","0.0793","0.0845","","","","","","1.024","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4027893","7.8828","0.0004","10.6926","0.0005","20.2725","0.0009","105.055","0.001","92.644","0.001","94.146","0.001","1642.01","0.14","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C28 H50 F3 N O7 S Si -","- C28 H50 F3 N O7 S Si -","- C56 H100 F6 N2 O14 S2 Si2 -","2","2","","Julie A. Pigza; Jeong-Seok Han; Aroop Chandra; Daniel Mutnick; Maren Pink; Jeffrey N. Johnston","Total Synthesis of the Lycopodium Alkaloid Serratezomine A Using Free Radical-Mediated Vinyl Amination to Prepare a β-Stannyl Enamine Linchpin","Journal of Organic Chemistry","2013","78","","822","843","10.1021/jo302333s","","","0.71073","MoKα","","0.0557","0.0424","","","0.1076","0.1203","","","","","","1.07","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4027894","12.283","0.0016","12.1019","0.0012","8.4929","0.001","90","","104.21","0.013","90","","1223.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br F N O2 -","- C13 H11 Br F N O2 -","- C52 H44 Br4 F4 N4 O8 -","4","1","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.039","0.0324","","","0.0802","0.0845","","","","","","1.059","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027895","9.3023","0.0012","9.3885","0.0009","10.9742","0.0013","100.185","0.009","102.668","0.01","111.976","0.01","830.89","0.19","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C32 H32 Br4 N4 O4 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.5418","CuKα","","0.0289","0.0263","","","0.0766","0.0875","","","","","","1.26","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027896","7.86962","0.00017","12.1226","0.0003","15.534","0.0003","90","","97.5363","0.0019","90","","1469.15","0.06","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O7 -","- C14 H14 N2 O7 -","- C56 H56 N8 O28 -","4","1","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.0491","0.0428","","","0.1117","0.1157","","","","","","1.061","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4027897","10.908","0.0016","11.3838","0.0018","11.6457","0.0015","64.786","0.014","86.639","0.011","72.367","0.014","1242.7","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.0512","0.0452","","","0.1231","0.1301","","","","","","1.035","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027898","6.9799","0.001","12.4949","0.0015","14.4554","0.0014","79.802","0.009","77.061","0.01","81.485","0.011","1201.5","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.0489","0.0414","","","0.1086","0.1162","","","","","","1.044","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027899","9.7904","0.0004","11.8369","0.0004","12.317","0.0004","84.429","0.003","67.878","0.003","84.125","0.003","1312.71","0.09","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.5418","CuKα","","0.0412","0.0351","","","0.0938","0.0972","","","","","","1.067","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027900","12.148","0.007","31.58","0.019","9.542","0.006","90","","102.717","0.008","90","","3571","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 F3 N2 O2 -","- C20 H17 F3 N2 O2 -","- C160 H136 F24 N16 O16 -","8","2","","Juan Yang; Xingang Xie; Zhengshen Wang; Ruoming Mei; Huaiji Zheng; Xiaolei Wang; Ling Zhang; Jing Qi; Xuegong She","Stereoselective Synthesis of Fused Spiroindolines via Tandem Mannich/Intramolecular Aminal Formation","Journal of Organic Chemistry","2013","78","","1230","1235","10.1021/jo302404v","","","0.71073","MoKα","","0.1695","0.0822","","","0.1589","0.1963","","","","","","1.026","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027901","8.3392","0.0013","10.0974","0.0016","15.684","0.003","98.756","0.002","101.508","0.002","97.415","0.002","1261.6","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H27 N3 -","- C33 H27 N3 -","- C66 H54 N6 -","2","1","","Alma R. Morales; Andrew Frazer; Adam W. Woodward; Hyo-Yang Ahn-White; Alexandr Fonari; Paul Tongwa; Tatiana Timofeeva; Kevin D. Belfield","Design, Synthesis, and Structural and Spectroscopic Studies of Push-Pull Two-Photon Absorbing Chromophores with Acceptor Groups of Varying Strength","Journal of Organic Chemistry","2013","78","","1014","1025","10.1021/jo302423p","","","0.71073","MoKα","","0.1247","0.0585","","","0.1293","0.1577","","","","","","1.001","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027902","8.7255","0.0012","10.875","0.0015","15.855","0.002","98.469","0.002","101.687","0.002","110.096","0.002","1344.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H29 N3 -","- C34 H29 N3 -","- C68 H58 N6 -","2","1","","Alma R. Morales; Andrew Frazer; Adam W. Woodward; Hyo-Yang Ahn-White; Alexandr Fonari; Paul Tongwa; Tatiana Timofeeva; Kevin D. Belfield","Design, Synthesis, and Structural and Spectroscopic Studies of Push-Pull Two-Photon Absorbing Chromophores with Acceptor Groups of Varying Strength","Journal of Organic Chemistry","2013","78","","1014","1025","10.1021/jo302423p","","","0.71073","MoKα","","0.0743","0.0434","","","0.0965","0.1083","","","","","","1.008","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027903","9.3797","0.0006","10.4703","0.0006","15.9304","0.001","79.515","0.001","78.404","0.001","67.394","0.001","1405.3","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 N O S -","- C36 H31 N O S -","- C72 H62 N2 O2 S2 -","2","1","","Alma R. Morales; Andrew Frazer; Adam W. Woodward; Hyo-Yang Ahn-White; Alexandr Fonari; Paul Tongwa; Tatiana Timofeeva; Kevin D. Belfield","Design, Synthesis, and Structural and Spectroscopic Studies of Push-Pull Two-Photon Absorbing Chromophores with Acceptor Groups of Varying Strength","Journal of Organic Chemistry","2013","78","","1014","1025","10.1021/jo302423p","","","0.71073","MoKα","","0.0615","0.0439","","","0.1161","0.1257","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027904","9.6574","0.0011","11.2128","0.0014","18.5445","0.0019","86.91","0.002","79.601","0.001","68.997","0.001","1843.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Br N4 Ni P -","- C40 H40 Br N4 Ni P -","- C80 H80 Br2 N8 Ni2 P2 -","2","1","","Wang-Jun Guo; Zhong-Xia Wang","Cross-Coupling of ArX with ArMgBr Catalyzed by N-Heterocyclic Carbene-Based Nickel Complexes","Journal of Organic Chemistry","2013","78","","1054","1061","10.1021/jo302425x","","","0.71073","MoKα","","0.0902","0.0523","","","0.142","0.1558","","","","","","1.045","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027905","9.258","0.001","16.53","0.002","19.277","0.002","87.603","0.004","78.804","0.004","85.216","0.006","2882.8","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Fraenkel 1342","","","- C22 H48 Li2 N2 O4 Si2 -","- C22 H48 Li2 N2 O4 Si2 -","- C88 H192 Li8 N8 O16 Si8 -","4","2","","Gideon Fraenkel; Xiao Chen; Albert Chow; Judith Gallucci","Internally versus Externally Solvated Derivatives of Doubly Bridged 1,4-Dilithio-2-butene: Structures and Dynamic Behavior. A ""T"" Shaped Dimeric Cluster in the Solid State","Journal of Organic Chemistry","2013","78","","1149","1156","10.1021/jo302439t","","x-ray","0.71073","MoKα","","0.0823","0.0585","","","0.1378","0.1492","","","","","","1.036","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027906","10.1487","0.0005","7.5675","0.0004","20.4078","0.0009","90","","94.563","0.002","90","","1562.36","0.13","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C68 H60 Br4 N8 O8 -","4","1","","Yunkui Liu; Bo Jiang; Wei Zhang; Zhenyuan Xu","Multifold Bond Cleavage and Formation between MeOH and Quinoxalines (or Benzothiazoles): Synthesis of Carbaldehyde Dimethyl Acetals","Journal of Organic Chemistry","2013","78","","966","980","10.1021/jo302450f","","","0.71073","MoKα","","0.0997","0.0412","","","0.0896","0.1302","","","","","","1.003","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027907","13.7684","0.0002","13.785","0.0002","14.3419","0.0002","102.149","0.001","114.803","0.001","108.584","0.001","2146.61","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl2 N4 O4 Si2 -","- C44 H50 Cl2 N4 O4 Si2 -","- C88 H100 Cl4 N8 O8 Si4 -","2","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.0688","0.0454","","","0.11","0.1226","","","","","","1.018","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4027908","7.8787","0.0001","12.8918","0.0001","21.5552","0.0002","93.602","0.001","94.672","0.001","95.417","0.001","2166.86","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H56 N4 Si2 -","- C48 H56 N4 Si2 -","- C96 H112 N8 Si4 -","2","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.107","0.0607","","","0.1424","0.1668","","","","","","1.008","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027909","7.706","0.005","23.131","0.014","45.24","0.03","90.756","0.012","90.191","0.012","94.472","0.012","8039","9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H54 N4 Si2 -","- C44 H54 N4 Si2 -","- C352 H432 N32 Si16 -","8","4","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.2598","0.1631","","","0.4158","0.4694","","","","","","1.033","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027910","7.214","0.002","21.153","0.006","33.108","0.009","90","","95.674","0.007","90","","5027","2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.75 H56.75 Cl3.08 N4 O4 Si2 -","- C51.736 H56.736 Cl3.088 N4 O4 Si2 -","- C206.944 H226.944 Cl12.352 N16 O16 Si8 -","4","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.1717","0.1494","","","0.3649","0.3782","","","","","","1.122","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027911","38.388","0","38.388","0","12.218","0.002","90","0","90","0","120","0.015","15593","3","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C72 H72 O6 -","- C72 H72 O6 -","- C648 H648 O54 -","9","0.5","","Tao Xie; Shu-Zhen Hu; Chuan-Feng Chen","Triptycene-Derived Homooxacalixarene Analogues: Synthesis, Structures, and Complexation with Fullerenes C60 and C70","Journal of Organic Chemistry","2013","78","","981","987","10.1021/jo302459m","","","0.71073","MoKα","","0.1742","0.155","","","0.312","0.3246","","","","","","1.223","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4027912","12.299","0.003","16.054","0.003","17.763","0.004","81.15","0.03","88.58","0.03","74.64","0.03","3341.3","1.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H72 O6 -","- C72 H72 O6 -","- C144 H144 O12 -","2","1","","Tao Xie; Shu-Zhen Hu; Chuan-Feng Chen","Triptycene-Derived Homooxacalixarene Analogues: Synthesis, Structures, and Complexation with Fullerenes C60 and C70","Journal of Organic Chemistry","2013","78","","981","987","10.1021/jo302459m","","","0.71073","MoKα","","0.1092","0.084","","","0.2302","0.2483","","","","","","1.039","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4027913","8.884","0.002","17.286","0.005","23.428","0.006","109.558","0.003","90.173","0.005","100.381","0.006","3326.9","1.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H66 Cl6 O6 -","- C78 H66 Cl6 O6 -","- C156 H132 Cl12 O12 -","2","1","","Tao Xie; Shu-Zhen Hu; Chuan-Feng Chen","Triptycene-Derived Homooxacalixarene Analogues: Synthesis, Structures, and Complexation with Fullerenes C60 and C70","Journal of Organic Chemistry","2013","78","","981","987","10.1021/jo302459m","","","0.71073","MoKα","","0.1367","0.1084","","","0.2376","0.2545","","","","","","1.137","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027914","7.2074","0.0002","15.3803","0.0004","16.4727","0.0005","78.3311","0.0003","83.2943","0.0003","87.9616","0.0003","1775.92","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H50 O9 Si -","- C39 H50 O9 Si -","- C78 H100 O18 Si2 -","2","1","","Farzad Malihi; Derrick L. J. Clive; Che-Chien Chang; Minaruzzaman","Synthetic Studies on CP-225,917 and CP-263,114: Access to Advanced Tetracyclic Systems by Intramolecular Conjugate Displacement and [2,3]-Wittig Rearrangement","Journal of Organic Chemistry","2013","78","","996","1013","10.1021/jo302467w","","","0.71073","MoKα","","0.0481","0.0373","","","0.0937","0.104","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027915","21.7","0.009","10.919","0.005","21.173","0.008","90","","118.59","0.02","90","","4405","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C116 H96 O12 -","- C116 H96 O12 -","- C232 H192 O24 -","2","0.25","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.3008","0.0908","","","0.2102","0.2915","","","","","","0.93","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027916","11.9712","0.0012","11.9712","0.0012","9.9653","0.0013","90","","90","","120","","1236.8","0.2","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C30 H30 O4.5 -","- C30 H29.97 O4.5 -","- C60 H59.94 O9 -","2","0.333333","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.0867","0.0619","","","0.1715","0.196","","","","","","1.013","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027917","12.0399","0.0007","12.0399","0.0007","9.8716","0.0007","90","","90","","120","","1239.26","0.13","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C H O -","- C1.61111 H1.665 O0.166667 -","- C58 H59.94 O6 -","36","6","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.1068","0.0798","","","0.2343","0.2696","","","","","","1.023","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027918","11.9","0.0009","11.9","0.0009","9.9832","0.0007","90","","90","","120","","1224.32","0.16","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C20 H20 O2.67 -","- C19.9933 H19.98 O2.66667 -","- C59.98 H59.94 O8 -","3","0.5","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.0715","0.0592","","","0.1851","0.197","","","","","","1.076","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027919","8.642","0.004","11.335","0.005","12.752","0.006","101.855","0.008","101.09","0.007","108.971","0.007","1109.9","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H30 O3 -","- C29 H30 O3 -","- C58 H60 O6 -","2","1","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.1222","0.1025","","","0.2832","0.2937","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027920","8.739","0.006","11.766","0.008","13.973","0.009","92.198","0.013","99.782","0.013","108.202","0.012","1338.6","1.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 O4 -","- C32 H36 O4 -","- C64 H72 O8 -","2","1","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.275","0.1799","","","0.4812","0.5265","","","","","","1.528","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027921","14.34","0.001","10.507","0.001","13.04","0.002","90","","92.89","0.01","90","","1962.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-benzyl-11,11-diethyl-5-methyl-1,11-dihydroimidazol[2',1':3,4][1,4,2]- diazaborolo[1,5-a]indol-4-ium-11-uide","","- C23 H26 B N3 -","- C23 H26 B N3 -","- C92 H104 B4 N12 -","4","1","","Nazar Pidlypnyi; Jan C. Namyslo; Martin H. H. Drafz; Martin Nieger; Andreas Schmidt","Betaine-Carbene Interconversions. From N-Ylides to Zwitterionic N-Heterocyclic Carbene-Borane Adducts","Journal of Organic Chemistry","2013","78","","1070","1079","10.1021/jo302479p","","","0.71073","MoKα","","0.0589","0.0444","","","0.1097","0.1197","","","","","","1.04","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027922","21.753","0.012","14.269","0.008","17.857","0.01","90","","130.21","0.05","90","","4233","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 N2 O14 -","- C48 H52 N2 O14 -","- C192 H208 N8 O56 -","4","0.5","","Elżbieta Gońka; Damian Myśliwiec; Tadeusz Lis; Piotr J. Chmielewski; Marcin Stępień","Synthesis of Bis(phenanthropyrroles) via a Tandem Scholl Oxidation","Journal of Organic Chemistry","2013","78","","1260","1265","10.1021/jo302486x","","","0.71073","MoKα","","0.2106","0.0674","","","0.0564","0.0646","","","","","","0.933","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4027923","10.811","0.002","14.427","0.003","21.917","0.004","90","","90","","90","","3418.4","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H58 O4 S Si3 -","- C26 H58 O4 S Si3 -","- C104 H232 O16 S4 Si12 -","4","1","","Robin Daly; Thomas McCabe; Eoin M. Scanlan","Development of Fully and Partially Protected Fucosyl Donors for Oligosaccharide Synthesis","Journal of Organic Chemistry","2013","78","","1080","1090","10.1021/jo302487c","","","0.71073","MoKα","","0.0356","0.0343","","","0.0821","0.0834","","","","","","1.072","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027924","9.2047","0.0001","12.9635","0.0002","24.7453","0.0003","90","","90","","90","","2952.74","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C120 H168 N8 O16 S8 -","8","2","","David M. Hodgson; Christopher I. Pearson; Amber L. Thompson","α-Lithiation-Electrophile Trapping of N-Thiopivaloylazetidin-3-ol: Stereoselective Synthesis of 2-Substituted 3-Hydroxyazetidines","Journal of Organic Chemistry","2013","78","","1098","1106","10.1021/jo3025225","","","0.71073","MoKα","","0.0506","0.0412","","0.1052","0.1009","0.1052","","","","","","0.9936","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027925","9.742","0.006","6.73","0.004","18.736","0.011","90","","97.666","0.01","90","","1217.4","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","","Darapaneni Chandra Mohan; Sadu Nageswara Rao; Subbarayappa Adimurthy","Synthesis of Imidazo[1,2-a]pyridines: ""Water-Mediated"" Hydroamination and Silver-Catalyzed Aminooxygenation","Journal of Organic Chemistry","2013","78","","1266","1272","10.1021/jo3025303","","","0.71073","MoKα","","0.072","0.0639","","","0.1913","0.1997","","","","","","1.093","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027926","10.188","0.005","9.927","0.005","11.211","0.005","90","","109.129","0.005","90","","1071.2","0.9","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C19 H28 F3 N O4 S -","- C19 H28 F3 N O4 S -","- C38 H56 F6 N2 O8 S2 -","2","1","","Fabienne Grellepois","Enantiopure Trifluoromethylated β3,3-Amino Acids: Synthesis by Asymmetric Reformatsky Reaction with Stable Analogues of TrifluoromethylN-tert-Butanesulfinylketoimines and Incorporation into α/β-Peptides","Journal of Organic Chemistry","2013","78","","1127","1137","10.1021/jo302549v","","x-ray","0.71073","MoKα","","0.1059","0.0553","","","0.083","0.0978","","","","","","1.062","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027927","10.322","0.0002","10.6609","0.0002","11.5882","0.0002","109.332","0.0012","111.752","0.0013","99.3681","0.0013","1056.67","0.04","200","","200","","","","","","","","from U of Wollongong","4","P -1","-P 1","2","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C50 H58 N2 O6 -","2","1","","Nikhom Wongsa; Ubonta Sommart; Thunwadee Ritthiwigrom; Arife Yazici; Somdej Kanokmedhakul; Kwanjai Kanokmedhakul; Anthony C. Willis; Stephen G. Pyne","Concise Synthesis of α-Substituted 2-Benzofuranmethamines and other 2-Subsituted Benzofurans via α-Substituted 2-Benzofuranmethyl Carbocation Intermediates","Journal of Organic Chemistry","2013","78","","1138","1148","10.1021/jo302554v","","","0.71073","MoKα","","0.0455","0.0391","","0.1051","0.1006","0.1051","","","","","","0.984","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027928","38.905","0.005","15.3839","0.0019","19.874","0.002","90","","103.18","0.003","90","","11581","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H114 Br7 N12 O10 -","- C132 H114 Br7 N12 O10 -","- C528 H456 Br28 N48 O40 -","4","0.5","","Bijan Roy; Arun Kumar Bar; Bappaditya Gole; Partha Sarathi Mukherjee","Fluorescent Tris-Imidazolium Sensors for Picric Acid Explosive","Journal of Organic Chemistry","2013","78","","1306","1310","10.1021/jo302585a","","","0.71073","MoKα","","0.2367","0.115","","","0.3398","0.4005","","","","","","1.186","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027929","15.2753","0.0019","15.4099","0.0014","31.734","0.004","90","","99.903","0.002","90","","7358.6","1.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C160 H130 Br2 N24 O32 -","- C160 H130 Br2 N24 O32 -","- C320 H260 Br4 N48 O64 -","2","1","","Bijan Roy; Arun Kumar Bar; Bappaditya Gole; Partha Sarathi Mukherjee","Fluorescent Tris-Imidazolium Sensors for Picric Acid Explosive","Journal of Organic Chemistry","2013","78","","1306","1310","10.1021/jo302585a","","","0.71073","MoKα","","0.4484","0.1446","","","0.3184","0.4812","","","","","","0.961","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027930","19.674","0.004","14.365","0.003","20.551","0.004","90","","99.25","0.03","90","","5733","2","143","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H42 O13 -","- C76 H38 O13 -","- C304 H152 O52 -","4","1","","Nana Xin; Xiaobing Yang; Zishuo Zhou; Jianxin Zhang; Showxin Zhang; Liangbing Gan","Synthesis of C60(O)3: An Open-Cage Fullerene with a Ketolactone Moiety on the Orifice","Journal of Organic Chemistry","2013","78","","1157","1162","10.1021/jo3026302","","","0.71073","MoKα","","0.199","0.0733","","","0.1356","0.1565","","","","","","1.007","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027931","16.947","0.004","15.195","0.003","18.824","0.004","90","","114.551","0.004","90","","4409.1","1.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C83 H22 O3 -","- C83 H22 O3 -","- C332 H88 O12 -","4","1","","Nana Xin; Xiaobing Yang; Zishuo Zhou; Jianxin Zhang; Showxin Zhang; Liangbing Gan","Synthesis of C60(O)3: An Open-Cage Fullerene with a Ketolactone Moiety on the Orifice","Journal of Organic Chemistry","2013","78","","1157","1162","10.1021/jo3026302","","","0.71073","MoKα","","0.1441","0.1158","","","0.2707","0.2842","","","","","","1.683","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027932","10.584","0.003","10.879","0.003","16.559","0.004","90","","98.725","0.005","90","","1884.6","0.9","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 S -","- C26 H18 S -","- C104 H72 S4 -","4","1","","Bo-Lun Hu; Sha-Sha Pi; Peng-Cheng Qian; Jin-Heng Li; Xing-Guo Zhang","Palladium-Catalyzed Iodine-Mediated Electrophilic Annulation of 2-(1-Alkynyl)biphenyls with Disulfides","Journal of Organic Chemistry","2013","78","","1300","1305","10.1021/jo302634n","","","0.71073","MoKα","","0.0751","0.0675","","","0.1393","0.1433","","","","","","1.227","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027933","6.0202","0.001","9.5695","0.0015","28.79","0.005","90","","90","","90","","1658.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Br2 N2 O4 -","- C13 H16 Br2 N2 O4 -","- C52 H64 Br8 N8 O16 -","4","1","","Hao Sun; Jianlin Han; Padmanabha V. Kattamuri; Yi Pan; Guigen Li","Approach to Vicinalt-Boc-amino Dibromides via Catalytic Aminobromination of Nitrostyrenes without Using Chromatography and Recrystallization","Journal of Organic Chemistry","2013","78","","1171","1175","10.1021/jo302727v","","","0.71073","MoKα","","0.0659","0.042","","","0.1013","0.1091","","","","","","0.749","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027934","9.941","0.003","10.774","0.003","11.867","0.003","77.103","0.003","66.061","0.003","65.409","0.003","1054","0.5","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","","Michael P. McCormack; Stephen P. Waters","Synthesis of Functionalized Indolizidines through Pauson-Khand Cycloaddition of 2-Allylpyrrolidines","Journal of Organic Chemistry","2013","78","","1176","1183","10.1021/jo302734w","","","0.71073","MoKα","","0.0405","0.0343","","","0.0829","0.0869","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027935","12.2523","0.0015","39.556","0.006","14.9678","0.0013","90","","90","","90","","7254.2","1.5","170","","170","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C120 H104 N8 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.1671","0.1023","","0.1836","0.1174","0.1049","","","","","","1.1139","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027936","11.8553","0.0004","11.991","0.0005","18.5166","0.0006","90","","90.351","0.001","90","","2632.21","0.16","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 B2 F8 N2 -","- C30 H26 B2 F8 N2 -","- C120 H104 B8 F32 N8 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0744","0.0569","","","0.142","0.1547","","","","","","1.035","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027937","12.0251","0.0011","14.0218","0.0011","17.7444","0.0014","89.919","0.006","72.966","0.008","87.197","0.007","2857","0.4","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H66 B2 N2 -","- C78 H66 B2 N2 -","- C156 H132 B4 N4 -","2","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0906","0.0544","","0.0713","0.0529","0.0529","","","","","","1.1784","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027938","11.5458","0.0003","11.8918","0.0002","21.0317","0.0006","90","","122.155","0.004","90","","2444.73","0.15","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Br2 N2 -","- C30 H26 Br2 N2 -","- C120 H104 Br8 N8 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0381","0.0349","","0.0331","0.0317","0.0317","","","","","","1.3278","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027939","12.2508","0.0018","17.19","0.003","23.356","0.003","90","","90","","90","","4918.6","1.3","170","","170","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H26 Br2 N2 -","- C30 H26 Br2 N2 -","- C240 H208 Br16 N16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0714","0.0495","","0.0779","0.0581","0.0581","","","","","","1.0262","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027940","8.308","0.0002","8.308","0.0002","40.7386","0.0011","90","","90","","90","","2811.89","0.12","150","2","150","2","","","","","","","synthesized by the authors","5","P 43 21 2","P 4nw 2abw","96","","","","- C34 H26 F6 N2 O4 -","- C34 H26 F6 N2 O4 -","- C136 H104 F24 N8 O16 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0448","0.0439","","","0.1241","0.1248","","","","","","1.135","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027941","20.6073","0.0004","20.6073","0.0004","46.635","0.0018","90","","90","","90","","19804.1","0.9","170","","170","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C720 H624 N48 -","24","1.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.1145","0.0703","","0.1204","0.0809","0.0809","","","","","","1.1058","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027942","11.4978","0.001","11.519","0.0013","18.4158","0.0015","90","","90","","90","","2439","0.4","170","","170","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C30 H26 Cl2 N2 -","- C30 H26 Cl2 N2 -","- C120 H104 Cl8 N8 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.5418","CuKα","","0.1307","0.0986","","0.0908","0.0811","0.0811","","","","","","0.9865","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027943","11.7877","0.0005","12.1474","0.0005","18.8577","0.0009","90","","90.299","0.002","90","","2700.2","0.2","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cl2 N2 O8 -","- C30 H26 Cl2 N2 O8 -","- C120 H104 Cl8 N8 O32 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0587","0.0479","","","0.1208","0.1297","","","","","","1.037","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4027944","19.9753","0.0016","19.9753","0.0016","27.812","0.004","90","","90","","90","","11097","2","170","","170","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H30 N2 O9 S2 -","- C30 H30 N2 O9 S2 -","- C480 H480 N32 O144 S32 -","16","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0918","0.0698","","0.1275","0.0935","0.0935","","","","","","0.9496","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027945","12.228","0.0005","11.2609","0.0006","20.2299","0.0008","90","","90","","90","","2785.6","0.2","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H32 N2 O6 S2 -","- C32 H32 N2 O6 S2 -","- C128 H128 N8 O24 S8 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.5418","CuKα","","0.0396","0.0357","","0.0389","0.0369","0.0369","","","","","","1.1537","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027946","12.3229","0.0004","18.3554","0.0005","22.9405","0.0006","90","","90","","90","","5189","0.3","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H26 I2 N2 -","- C30 H26 I2 N2 -","- C240 H208 I16 N16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0449","0.0328","","","0.0734","0.0788","","","","","","1.095","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027947","11.5914","0.0011","11.8593","0.0006","21.167","0.002","90","","121.194","0.013","90","","2489","0.5","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 O6 -","- C30 H26 N4 O6 -","- C120 H104 N16 O24 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0714","0.0582","","0.0787","0.07","0.07","","","","","","1.0982","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027948","21.5279","0.001","14.0894","0.0005","21.8075","0.0009","90","","90","","90","","6614.5","0.5","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 F6 N2 O6 S2 -","- C32 H26 F6 N2 O6 S2 -","- C256 H208 F48 N16 O48 S16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0901","0.0547","","0.0945","0.0632","0.0632","","","","","","1.1155","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027949","11.903","0.0002","12.439","0.0002","20.873","0.0003","90","","89.805","0.0008","90","","3090.47","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H26 F6 N2 O6 S2 -","- C32 H26 F6 N2 O6 S2 -","- C128 H104 F24 N8 O24 S8 -","4","2","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0702","0.0439","","","0.1029","0.114","","","","","","1.012","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027950","18.797","0.003","18.797","0.003","12.998","0.004","90","","90","","120","","3977.3","1.5","100","2","100","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C44 H68 F6 Fe N4 O8 S2 -","- C36 H48 F6 Fe N4 O6 S2 -","- C108 H144 F18 Fe3 N12 O18 S6 -","3","0.5","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.045","0.0406","","","0.1029","0.1044","","","","","","1.002","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027951","14.954","0.011","16.34","0.012","16.575","0.012","90","","90","","90","","4050","5","300","2","300","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 F6 Fe N4 O6 S2 -","- C36 H46 F6 Fe N4 O6 S2 -","- C144 H184 F24 Fe4 N16 O24 S8 -","4","1","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.089","0.0549","","","0.144","0.161","","","","","","1.054","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027952","15.398","0.002","26.204","0.003","10.6011","0.0014","90","","90","","90","","4277.4","0.9","300","2","300","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H46 F6 Fe N4 O6 S2 -","- C36 H46 F6 Fe N4 O6 S2 -","- C144 H184 F24 Fe4 N16 O24 S8 -","4","1","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.1112","0.0596","","","0.1301","0.1467","","","","","","0.967","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027953","12.228","0.0004","10.289","0.0004","11.5126","0.0004","90","","97.802","0.002","90","","1435.04","0.09","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Rivka R. R. Taylor; Robert A. Batey","A Hetero Diels-Alder Approach to the Synthesis of Chromans (3,4-Dihydrobenzopyrans) Using Oxonium Ion Chemistry: The Oxa-Povarov Reaction","Journal of Organic Chemistry","2013","78","","1404","1420","10.1021/jo302328s","","","0.71073","MoKα","","0.0601","0.0452","","","0.1043","0.1168","","","","","","1.077","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027954","18.6617","0.001","5.4269","0.0008","29.7664","0.0013","90","","90","","90","","3014.6","0.5","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","2","","Rivka R. R. Taylor; Robert A. Batey","A Hetero Diels-Alder Approach to the Synthesis of Chromans (3,4-Dihydrobenzopyrans) Using Oxonium Ion Chemistry: The Oxa-Povarov Reaction","Journal of Organic Chemistry","2013","78","","1404","1420","10.1021/jo302328s","","","0.71073","MoKα","","0.0872","0.0489","","","0.1126","0.1348","","","","","","1.042","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027955","10.1709","0.0005","15.5204","0.0009","14.9385","0.001","90","","99.783","0.007","90","","2323.8","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0569","0.0505","","","0.1284","0.1401","","","","","","1.074","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027956","9.972","0.0003","10.748","0.0003","12.86","0.0004","84.94","0.0017","83.24","0.0016","75.82","0.0018","1324.51","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C56 H56 Cl4 F2 N2 O8 -","2","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","0.7107","MoKα","","0.0776","0.0568","","","0.1486","0.1652","","","","","","1.023","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4027957","11.107","0.003","23.9229","0.0004","20.0388","0.0014","90","","105.468","0.011","90","","5131.7","1.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl2 F N O3 -","- C26 H28 Cl2 F N O3 -","- C208 H224 Cl16 F8 N8 O24 -","8","2","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0567","0.0456","","","0.122","0.1345","","","","","","1.092","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027958","12.8738","0.0009","23.8897","0.0004","8.9217","0.0001","90","","101.111","0.007","90","","2692.4","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 1'-acetyl-6'-chloro-2-(3-chloro-2-fluorophenyl)-5-neopentyl-2' -oxospiro[cyclopent[3]ene-1,3'-indoline]-3-carboxylate","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C112 H112 Cl8 F4 N4 O16 -","4","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0676","0.0521","","","0.1327","0.1646","","","","","","1.144","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027959","10.868","0.002","10.96","0.003","12.176","0.003","81.087","0.003","72.553","0.005","74.45","0.004","1328.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C56 H56 Cl4 F2 N2 O8 -","2","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","0.7107","MoKα","","0.095","0.0653","","","0.171","0.196","","","","","","1.028","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027960","10.5343","0.0003","10.9772","0.0004","23.3812","0.0016","90","","98.035","0.007","90","","2677.2","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C112 H112 Cl8 F4 N4 O16 -","4","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0721","0.0549","","","0.1363","0.1611","","","","","","1.114","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027961","7.6506","0.0008","8.0881","0.0009","11.7507","0.0013","83.871","0.006","84.899","0.006","73.945","0.006","693.42","0.13","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C32 H32 O4 S2 -","2","1","","Ch Durga Prasad; Shah Jaimin Balkrishna; Amit Kumar; Bhagat Singh Bhakuni; Kaustubh Shrimali; Soumava Biswas; Sangit Kumar","Transition-Metal-Free Synthesis of Unsymmetrical Diaryl Chalcogenides from Arenes and Diaryl Dichalcogenides","Journal of Organic Chemistry","2013","78","","1434","1443","10.1021/jo302480j","","","0.71073","MoKα","","0.058","0.0487","","","0.1585","0.1754","","","","","","1.311","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027962","5.8855","0.0002","8.2344","0.0002","21.4492","0.0007","90","","90","","90","","1039.5","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0256","0.0253","","0.0696","0.0693","0.0696","","","","","","1.0061","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027963","9.3133","0.0001","10.441","0.0001","18.1294","0.0002","90","","90","","90","","1762.91","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O -","- C19 H28 N2 O -","- C76 H112 N8 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0331","0.0313","","0.0855","0.0827","0.0855","","","","","","0.9918","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027964","5.9046","0.0001","8.2614","0.0001","21.5105","0.0001","90","","90","","90","","1049.29","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0254","0.0252","","0.0676","0.0674","0.0676","","","","","","1.006","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027965","9.708","0.003","15.036","0.002","16.37","0.004","91.375","0.015","97.32","0.02","91.426","0.015","2368.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H50 Cl3 N4 O3 P -","- C53 H50 Cl3 N4 O3 P -","- C106 H100 Cl6 N8 O6 P2 -","2","1","","Bin Liu; Xiaofang Li; Xin Xu; Marcin Stępień; Piotr J. Chmielewski","3-(Dialkoxyphosphoryl)-N-confused Phlorin and Porphyrin. Synthesis, Stereochemistry, and Coordination Properties","Journal of Organic Chemistry","2013","78","","1354","1364","10.1021/jo302689d","","","1.54178","CuKα","","0.2518","0.1156","","","0.3018","0.3193","","","","","","1.558","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027966","28.9133","0.001","11.6762","0.0004","31.8371","0.0018","90","","104.692","0.004","90","","10396.7","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Cd Cl N4 O3 P -","- C52 H46 Cd Cl N4 O3 P -","- C416 H368 Cd8 Cl8 N32 O24 P8 -","8","1","","Bin Liu; Xiaofang Li; Xin Xu; Marcin Stępień; Piotr J. Chmielewski","3-(Dialkoxyphosphoryl)-N-confused Phlorin and Porphyrin. Synthesis, Stereochemistry, and Coordination Properties","Journal of Organic Chemistry","2013","78","","1354","1364","10.1021/jo302689d","","","0.71073","MoKα","","0.1018","0.0707","","","0.1506","0.1612","","","","","","1.064","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027967","9.174","0.004","11.595","0.004","23.778","0.01","90","","90","","90","","2529.3","1.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl N3 O3 -","- C27 H30 Cl N3 O3 -","- C108 H120 Cl4 N12 O12 -","4","1","","Lei Zhao; Yudao Ma; Fuyan He; Wenzeng Duan; Jianqiang Chen; Chun Song","Enantioselective β-Boration of Acyclic Enones by a [2.2]Paracyclophane-Based N-Heterocyclic Carbene Copper(I) Catalyst","Journal of Organic Chemistry","2013","78","","1677","1681","10.1021/jo302694d","","","0.71073","MoKα","","0.0932","0.0556","","","0.1393","0.1698","","","","","","0.952","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027968","10.8557","0.0008","7.3889","0.0005","19.8046","0.0014","90","","100.406","0.001","90","","1562.43","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","organic","organic","","- C15 H15 Cl N2 O4 -","- C15 H15 Cl N2 O4 -","- C60 H60 Cl4 N8 O16 -","4","1","","Xinfang Xu; Peter Y. Zavalij; Wenhao Hu; Michael P. Doyle","Vinylogous Reactivity of Enol Diazoacetates with Donor-Acceptor Substituted Hydrazones. Synthesis of Substituted Pyrazole Derivatives","Journal of Organic Chemistry","2013","78","","1583","1588","10.1021/jo302696y","","","0.71073","MoKα","","0.0456","0.0378","","","0.0747","0.0761","","","","","","1","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027969","7.3396","0.0006","8.7082","0.0006","9.9553","0.0009","85.772","0.002","74.592","0.003","89.535","0.003","611.71","0.09","173.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","","Masahiro Yoshida; Tomomi Nakagawa; Kouki Kinoshita; Kozo Shishido","Regiocontrolled Construction of Furo[3,2-c]pyran-4-one Derivatives by Palladium-Catalyzed Cyclization of Propargylic Carbonates with 4-Hydroxy-2-pyrones","Journal of Organic Chemistry","2013","78","","1687","1692","10.1021/jo3027092","","","0.7107","MoKα","","","0.084","","","","0.155","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027970","14.0092","0.0011","5.4563","0.0004","19.4651","0.0012","90","","104.045","0.005","90","","1443.4","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F N2 O -","- C17 H15 F N2 O -","- C68 H60 F4 N8 O4 -","4","1","","Liangguang Wang; Xiaoqiang Yu; Xiujuan Feng; Ming Bao","Synthesis of 3,5-Disubstituted Pyrazoles via Cope-Type Hydroamination of 1,3-Dialkynes","Journal of Organic Chemistry","2013","78","","1693","1698","10.1021/jo302732v","","","0.71073","MoKα","","0.1023","0.058","","","0.1564","0.178","","","","","","1.029","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027971","5.2028","0.0003","12.2999","0.0007","27.7966","0.0015","90","","90","","90","","1778.81","0.17","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Stefan C. Söderman; Adrian L. Schwan","Sulfenate Substitution as a Complement and Alternative to Sulfoxidation in the Diastereoselective Preparation of Chiral β-Substituted β-Amino Sulfoxides","Journal of Organic Chemistry","2013","78","","1638","1649","10.1021/jo302769b","","","1.54178","CuKα","","0.032","0.0306","","","0.0812","0.082","","","","","","1.069","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027972","9.0163","0.0009","8.9386","0.0009","10.7156","0.001","90","","104.137","0.001","90","","837.45","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","11197a","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0397","0.0344","","","0.0821","0.086","","","","","","1.072","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027973","9.107","0.003","11.053","0.004","24.15","0.008","90","","90","","90","","2430.9","1.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","11226a","","","- C26 H24 Cl3 N O7 -","- C26 H24 Cl3 N O7 -","- C104 H96 Cl12 N4 O28 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.031","0.028","","","0.0626","0.0644","","","","","","1.01","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027974","14.202","0.002","6.261","0.0009","19.724","0.003","90","","94.402","0.002","90","","1748.7","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0687","0.0461","","","0.0892","0.0989","","","","","","1.015","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027975","6.7377","0.0008","14.7429","0.0018","18.131","0.002","90","","90","","90","","1801","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0423","0.036","","","0.0859","0.091","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027976","7.4036","0.0005","40.272","0.003","9.8627","0.0006","90","","104.307","0.005","90","","2849.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H19 Fe N9 -","- C34 H19 Fe N9 -","- C136 H76 Fe4 N36 -","4","1","","Benjamin Breiten; Markus Jordan; Daisuke Taura; Michal Zalibera; Markus Griesser; Daria Confortin; Corinne Boudon; Jean-Paul Gisselbrecht; W. Bernd Schweizer; Georg Gescheidt; François Diederich","Donor-Substituted Octacyano[4]dendralenes: Investigation of π-Electron Delocalization in Their Radical Ions","Journal of Organic Chemistry","2013","78","","1760","1767","10.1021/jo301194y","","","1.54178","CuKα","","0.1535","0.0603","","","0.154","0.1831","","","","","","1.066","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027977","8.48","0.003","15.471","0.004","18.112","0.005","91.016","0.007","94.203","0.008","93.318","0.008","2365.2","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H32 Cl4 N10 -","- C54 H32 Cl4 N10 -","- C108 H64 Cl8 N20 -","2","1","","Benjamin Breiten; Markus Jordan; Daisuke Taura; Michal Zalibera; Markus Griesser; Daria Confortin; Corinne Boudon; Jean-Paul Gisselbrecht; W. Bernd Schweizer; Georg Gescheidt; François Diederich","Donor-Substituted Octacyano[4]dendralenes: Investigation of π-Electron Delocalization in Their Radical Ions","Journal of Organic Chemistry","2013","78","","1760","1767","10.1021/jo301194y","","","0.71073","MoKα","","0.2141","0.0956","","","0.2149","0.2696","","","","","","1.147","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4027978","29.2377","0.0006","8.1211","0.0002","5.9432","0.0001","90","","90","","90","","1411.17","0.05","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Amy M. Green; Hannah R. Naughton; Zachariah B. Nealy; Robert D. Pike; Christopher J. Abelt","Carbonyl-Twisted 6-Acyl-2-dialkylaminonaphthalenes as Solvent Acidity Sensors","Journal of Organic Chemistry","2013","78","","1784","1789","10.1021/jo301263g","","","1.54178","CuKα","","0.0466","0.0462","","","0.1307","0.131","","","","","","1.031","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027979","9.437","0.0013","9.9383","0.0014","22.121","0.003","90","","90","","90","","2074.7","0.5","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C92 H88 N8 O16 S4 -","4","1","","Kong-Zhen Hu; Jie Ma; Shi Qiu; Xiao Zheng; Pei-Qiang Huang","SmI2-Mediated Intermolecular Coupling of γ-LactamN-α-Radicals with Activated Alkenes: Asymmetric Synthesis of 11-Hydroxylated Analogues of the Lead Compounds CP-734432 and PF-04475270","Journal of Organic Chemistry","2013","78","","1790","1801","10.1021/jo301277n","","","0.71073","MoKα","","0.0418","0.0396","","","0.101","0.1025","","","","","","1.044","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027980","3.9024","0.0001","18.9972","0.0004","14.5823","0.0003","90","","92.162","0.001","90","","1080.28","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","methyl 6-phenylpyran-2-one-4-carboxylate","","- C13 H10 O4 -","- C13 H10 O4 -","- C52 H40 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0402","0.0347","","","0.0972","0.1025","","","","","","1.051","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027981","17.9308","0.0004","8.6679","0.0002","12.188","0.0002","90","","91.474","0.001","90","","1893.66","0.07","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","dimethyl spiro[endo-5-phenacylbicyclo[2.2.1]hept-2-ene- exo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C21 H22 O5 -","- C21 H22 O5 -","- C84 H88 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0575","0.0456","","","0.1321","0.1484","","","","","","1.007","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027982","15.6683","0.0004","18.0653","0.0005","22.3298","0.0006","70.632","0.002","72.214","0.002","74.598","0.002","5582.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl spiro[exo-5-phenacylbicyclo[2.2.1] hept-2-ene-endo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C21 H22 O5 -","- C21 H22 O5 -","- C252 H264 O60 -","12","6","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.223","0.0565","","","0.1396","0.2233","","","","","","0.907","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027983","7.6468","0.0001","13.3878","0.0003","17.294","0.0003","90","","90","","90","","1770.45","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","none","dimethyl (1RS, 4SR, 5RS, 6SR)-endo-5-((1'RS)-1'-benzoylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0859","0.0819","","","0.2187","0.2277","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027984","8.5804","0.0001","8.7358","0.0001","16.1135","0.0002","98.901","0.001","94.857","0.001","113.388","0.001","1080.92","0.02","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 4SR, 5RS, 6SR)-endo-5- ((1'RS)-1'-benzoyl-2'-phenylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate","","- C26 H26 O5 -","- C26 H26 O5 -","- C52 H52 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0512","0.0416","","","0.119","0.1291","","","","","","1.005","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027985","8.6424","0.0002","11.4282","0.0002","22.3162","0.0005","90","","92.055","0.001","90","","2202.69","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","dimethyl (1RS, 4SR, 5RS, 6SR)-endo-5- ((1'SR)-1'-benzoyl-2'-phenylethyl)bicyclo[2.2.1] hept-2-ene-exo-5,endo-6-dicarboxylate","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.065","0.0445","","","0.1172","0.1363","","","","","","0.999","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027986","9.3974","0.0002","9.5924","0.0002","12.4627","0.0002","99.479","0.001","108.515","0.001","93.667","0.001","1042.59","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl exo-5-(1'-benzoyl-1'-phenylmethyl) bicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C25 H24 O5 -","- C25 H24 O5 -","- C50 H48 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0503","0.0437","","","0.1221","0.1301","","","","","","1.017","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027987","8.5739","0.0006","9.0535","0.0007","16.3809","0.0015","99.041","0.005","93.136","0.005","114.132","0.003","1135.98","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 4RS, 5RS, 6SR)-spiro [(1''RS)-endo-5-(1''-benzoyl-2''-phenylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0586","0.0511","","","0.1592","0.1723","","","","","","0.918","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027988","9.8314","0.0002","9.0122","0.0002","13.5105","0.0003","90","","99.774","0.001","90","","1179.69","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","none","dimethyl (1RS, 4RS, 5RS, 6SR)-spiro [endo-5-((1''SR)-1''-benzoyl-2''-phenylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0652","0.0416","","","0.1008","0.1143","","","","","","1.017","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027989","7.8067","0.0001","6.1544","0.0001","29.8237","0.0003","90","","93.767","0.001","90","","1429.8","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","delta-oxetane","Methyl (1RS, 3SR, 4RS, 5RS, 6SR, 9RS, 10SR)-11-oxa-3- phenyltetracyclo[4.3.1.13,5.04,9]undecane-10-carboxylate","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0706","0.0498","","","0.1211","0.1327","","","","","","1.028","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027990","22.3257","0.001","21.0462","0.0009","21.4409","0.001","90","","107.855","0.002","90","","9589.2","0.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","elimination product","Methyl endo-5-hydroxy-2-methyl-3-phenyltricyclo [4.3.1.0^4,9^]dec-2-ene-exo-10-carboxylate","","- C19 H22 O3 -","- C19 H22 O3 -","- C456 H528 O72 -","24","3","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.1559","0.0481","","","0.1518","0.231","","","","","","0.927","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027991","6.0802","0.0003","11.6812","0.0006","12.2613","0.0006","95.495","0.003","92.632","0.003","101.434","0.003","847.76","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1SR, 2RS, 3RS, 5SR, 6SR, 7RS, 9SR, 10SR)- 3-hydroxy-3-phenyltetracyclo [3.3.1.1^7,9^.0^2,6^]decane-9,10-dicaboxylate","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0581","0.0402","","","0.1072","0.1193","","","","","","0.984","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027992","9.8942","0.0003","10.2782","0.0003","12.6652","0.0004","66.741","0.002","89.148","0.002","77.118","0.002","1149.67","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 2RS, 3SR, 4SR, 5RS, 6SR, 7RS, 9SR, 10SR)- spiro[3-hydroxy-3,4-diphenyltetracyclo[3.3.1.1^7,9^.0^2,6^] decane-9,10-dicaboxylate-8,1'-cyclopropane]","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0531","0.0392","","","0.1022","0.1173","","","","","","0.958","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027993","9.6324","0.0012","14.8876","0.0019","16.35","0.002","68.818","0.007","89.637","0.007","73.735","0.007","2086.9","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 2RS, 3RS, 4SR, 5RS, 6SR, 7RS, 9SR, 10SR)- spiro[4-ethyl-3-hydroxy-3-phenyltetracyclo[3.3.1.1^7,9^.0^2,6^] decane-9,10-dicaboxylate-8,1'-cyclopropane]","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0869","0.0771","","","0.203","0.2168","","","","","","1.026","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027994","8.5945","0.0001","11.1423","0.0002","11.3638","0.0002","88.382","0.001","79.091","0.001","74.839","0.001","1031.11","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 3RS, 4RS, 5SR, 6SR, 7RS, 8SR, 9SR)- spiro[6-hydroxy-6-phenyl-5-propyltetracyclo[3.2.1.1^3,8^.0^4,7^] nonane-8,9-dicaboxylate-2,1'-cyclopropyl]","","- C24 H28 O5 -","- C24 H28 O5 -","- C48 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0436","0.039","","","0.1117","0.1185","","","","","","0.949","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027995","7.6888","0.0002","25.3925","0.0008","12.9468","0.0004","90","","90","","90","","2527.71","0.13","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","none","dimethyl 11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^] dodeca-4,9-diene-2,7-dicarboxylate","","- C14 H14 O6 -","- C14 H14 O6 -","- C112 H112 O48 -","8","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.08","0.0681","","","0.1895","0.1981","","","","","","1.115","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027996","5.9681","0.0001","32.3016","0.0004","8.5098","0.0001","90","","95.708","0.001","90","","1632.38","0.04","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","none","dimethyl exo-5-phenacylbicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0454","0.0371","","","0.0987","0.1058","","","","","","1.016","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027997","10.8266","0.0003","8.326","0.0002","19.1289","0.0005","90","","93.793","0.001","90","","1720.55","0.08","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","none","dimethyl (1RS, 4SR, 5SR, 6RS)-exo-5-((2'RS)-1'-indanon-2'-yl) bicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0519","0.044","","","0.1221","0.1299","","","","","","1.028","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027998","10.4496","0.0005","18.3597","0.0008","15.3287","0.0007","90","","94.863","0.002","90","","2930.2","0.2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","none","methyl (1RS, 4SR, 5RS, 6SR)-exo-6- ((2'RS)-1'-indanon-2'-yl)bicyclo[2.2.1] hept-2-ene-endo-5-carboxylate","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0489","0.0401","","","0.1067","0.1161","","","","","","0.998","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4027999","9.303","0.0001","9.3452","0.0001","11.6049","0.0001","82.811","0.001","84.72","0.001","66.999","0.001","920.372","0.018","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1SR, 4RS, 5RS, 6RS)-exo-5- ((2'SR, 3'RS)-3'-methyl-1'-indanon-2'-yl) bicyclo[2.2.1]hept-2-ene-endo-5,endo-6-dicarboxylate","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0491","0.0438","","","0.1223","0.1304","","","","","","1.013","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028000","9.9431","0.0001","14.1487","0.0002","30.3355","0.0004","90","","96.712","0.001","90","","4238.41","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23.5 O5 -","- C26 H23.5 O5 -","- C208 H188 O40 -","8","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0804","0.0694","","","0.2043","0.2175","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028001","9.4925","0.0004","11.313","0.0005","11.628","0.0005","67.47","0.002","82.067","0.002","69.069","0.002","1077.3","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 4SR, 5SR, 6RS)-exo-5- ((2'SR, 3'SR)-3'-phenyl-1'-indanon-2'-yl) bicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C26 H24 O5 -","- C26 H24 O5 -","- C52 H48 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0445","0.0391","","","0.1061","0.1118","","","","","","0.996","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028002","12.947","0.001","13.2698","0.001","18.1285","0.0014","75.764","0.004","75.34","0.004","69.306","0.004","2776.3","0.4","143","1","143","1","","","","","","","","3","P -1","-P 1","2","","","","- C41 H27 Br -","- C41 H27 Br -","- C164 H108 Br4 -","4","2","","Frank B. Mallory; Clelia W. Mallory; Colleen K. Regan; Rebecca J. Aspden; Annie Butler Ricks; Joy M. Racowski; Abigail I. Nash; Ahmara V. Gibbons; Patrick J. Carroll; Joseph M. Bohen","Phenyl Groups versus tert-Butyl Groups as Solubilizing Substituents for Some [5]Phenacenes and [7]Phenacenes","Journal of Organic Chemistry","2013","78","","2040","2045","10.1021/jo3020819","","","1.54178","CuKα","","0.0445","0.0401","","","0.1137","0.1164","","","","","","1.164","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028003","8.802","0.002","12.636","0.003","13.191","0.003","111.156","0.003","93.692","0.004","104.707","0.003","1303.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 Br O8 -","- C29 H29 Br O8 -","- C58 H58 Br2 O16 -","2","1","","Samuel R. S. Sarsah; Marlon R. Lutz; Matthias Zeller; David S. Crumrine; Daniel P. Becker","Rearrangement of Cyclotriveratrylene (CTV) Diketone: 9,10-Diarylanthracenes with OLED Applications","Journal of Organic Chemistry","2013","78","","2051","2058","10.1021/jo302139w","","","0.71073","MoKα","","0.0642","0.0485","","","0.1297","0.1398","","","","","","1.049","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028004","9.2842","0.0019","12.395","0.003","12.941","0.003","86.217","0.003","70.284","0.003","86.07","0.003","1397.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 Br Cl2 O8 -","- C28 H27 Br Cl2 O8 -","- C56 H54 Br2 Cl4 O16 -","2","1","","Samuel R. S. Sarsah; Marlon R. Lutz; Matthias Zeller; David S. Crumrine; Daniel P. Becker","Rearrangement of Cyclotriveratrylene (CTV) Diketone: 9,10-Diarylanthracenes with OLED Applications","Journal of Organic Chemistry","2013","78","","2051","2058","10.1021/jo302139w","","","0.71073","MoKα","","0.0725","0.0591","","","0.1601","0.1682","","","","","","1.084","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028005","5.8187","0.0008","9.6719","0.0013","30.809","0.004","90","","90","","90","","1733.9","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C92 H80 N8 O4 -","4","1","","Ni-tao Zhang; Cheng-chu Zeng; Chiu Marco Lam; Randi K. Gbur; R. Daniel Little","Triarylimidazole Redox Catalysts: Electrochemical Analysis and Empirical Correlations","Journal of Organic Chemistry","2013","78","","2104","2110","10.1021/jo302309m","","","0.71073","MoKα","","0.0451","0.039","","","0.0895","0.0917","","","","","","1.089","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028006","11.194","0.005","11.997","0.005","12.342","0.005","89.61","0.005","80.206","0.005","64.565","0.005","1470.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O4 S -","- C32 H34 N2 O4 S -","- C64 H68 N4 O8 S2 -","2","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.1862","0.1009","","","0.2178","0.279","","","","","","1.119","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028007","10.408","0.005","11.505","0.005","13.445","0.005","101.221","0.005","106.997","0.005","107.056","0.005","1401","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O4 S -","- C32 H34 N2 O4 S -","- C64 H68 N4 O8 S2 -","2","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","x-ray","0.71069","MoKα","","0.1131","0.0767","","","0.2","0.2923","","","","","","1.122","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028008","11.951","0.005","11.17","0.005","19.919","0.005","90","","91.076","0.005","90","","2658.6","1.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O4 S -","- C31 H32 N2 O4 S -","- C124 H128 N8 O16 S4 -","4","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.2001","0.0805","","","0.1542","0.214","","","","","","0.937","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028009","10.816","0.005","11.834","0.005","13.362","0.005","95.574","0.005","110.301","0.005","111.794","0.005","1438.4","1.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N3 O6 S -","- C32 H33 N3 O6 S -","- C64 H66 N6 O12 S2 -","2","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.1298","0.0797","","","0.1897","0.2688","","","","","","1.113","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028010","12.422","0.005","23.512","0.005","11.263","0.005","90","","115.713","0.005","90","","2963.8","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N2 O5 S -","- C33 H36 N2 O5 S -","- C132 H144 N8 O20 S4 -","4","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.1616","0.0729","","","0.1517","0.2049","","","","","","0.947","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028011","5.442","","11.7123","0.0002","19.0408","0.0013","90","","90","","90","","1213.63","0.09","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl 2-hydroxy-6-((R)-5-oxo-2,5-dihydrofuran-2-yl) cyclohex-1-enecarboxylate","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.0342","0.0326","","","0.0824","0.0843","","","","","","1.106","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028012","12.725","0.005","8.406","0.004","23.918","0.006","90","","95.128","0.005","90","","2548.2","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 O8 P -","- C29 H25 O8 P -","- C116 H100 O32 P4 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.1182","0.054","","","0.1075","0.1729","","","","","","1.114","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028013","9.041","0.0002","19.0319","0.0005","15.9413","0.0013","90","","116.538","0.006","90","","2454","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 O8 P -","- C26 H27 O8 P -","- C104 H108 O32 P4 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.0976","0.0738","","","0.1876","0.2172","","","","","","1.154","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028014","7.6937","0.0004","9.5654","0.0006","19.816","0.0013","90","","90","","90","","1458.33","0.15","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl 2-hydroxy-5,5-dimethyl-6-((R)-5-oxo-2,5-dihydrofuran-2-yl) cyclohex-1-enecarboxylate","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.0492","0.0444","","","0.1044","0.1107","","","","","","1.096","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028015","7.8825","0.0008","10.8228","0.0011","15.9897","0.0017","87.01","0.002","88.663","0.002","76.653","0.002","1325.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 F2 O2 -","- C36 H26 F2 O2 -","- C72 H52 F4 O4 -","2","1","","Maozhong Miao; Jian Cao; Jingjing Zhang; Xian Huang; Luling Wu","Cu(I)-Catalyzed Domino Reaction of 3-Cyclopropylideneprop-2-en-1-ones","Journal of Organic Chemistry","2013","78","","2687","2692","10.1021/jo302312y","","","0.71073","MoKα","","0.0659","0.0558","","","0.1508","0.16","","","","","","1.035","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028016","15.9127","0.0003","15.9127","0.0003","19.3896","0.0005","90","","90","","90","","4909.72","0.18","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(26IO)4","","","- C48 H28 N12 O8 -","- C48 H28 N12 O8 -","- C192 H112 N48 O32 -","4","0.5","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.046","0.0422","","","0.1135","0.1164","","","","","","1.023","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028017","12.5381","0.0001","11.7299","0.0001","28.1349","0.0003","90","","92.935","0.001","90","","4132.39","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(IO)3:2DMSO","","","- C43 H36 N6 O8 S2 -","- C43 H36 N6 O8 S2 -","- C172 H144 N24 O32 S8 -","4","1","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.0607","0.0574","","","0.1586","0.1625","","","","","","1.053","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028018","11.9279","0.0009","12.0291","0.0009","16.8723","0.0013","84.618","0.006","86.984","0.006","76.201","0.007","2339.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","(IO)4_CHCl3","","","- C53 H33 Cl3 N8 O8 -","- C53 H33 Cl3 N8 O8 -","- C106 H66 Cl6 N16 O16 -","2","1","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.0567","0.0448","","","0.1118","0.1232","","","","","","1.037","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028019","13.3884","0.0004","13.5458","0.0004","20.0062","0.0007","76.205","0.003","89.176","0.002","89.633","0.002","3523.2","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","(26IO)3_CHCl3","","","- C36.8 H22.85 Cl1.35 N9 O6.25 -","- C36.8 H22.85 Cl1.35 N9 O6.25 -","- C147.2 H91.4 Cl5.4 N36 O25 -","4","2","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.072","0.0595","","","0.1619","0.1758","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028020","22.7814","0.0001","22.7814","0.0001","19.0308","0.0001","90","","90","","90","","9876.84","0.08","294","2","294","2","","","","","","","","5","P -4 21 c","P -4 2n","114","(26IO)4_OC","","","- C99 H61 Cl7 N24 O16 -","- C99 H61 Cl7 N24 O16 -","- C396 H244 Cl28 N96 O64 -","4","0.5","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.0487","0.0458","","","0.1316","0.1358","","","","","","1.028","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028021","8.5291","0.0011","12.2811","0.0015","13.3324","0.0016","70.573","0.002","80.1","0.002","81.923","0.002","1292.2","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H29 Br N2 O5 S -","- C25 H29 Br N2 O5 S -","- C50 H58 Br2 N4 O10 S2 -","2","1","","Jian Chen; Zhi-Cong Geng; Ning Li; Xiao-Fei Huang; Feng-Feng Pan; Xing-Wang Wang","Organocatalytic Asymmetric Michael Addition of Aliphatic Aldehydes to Indolylnitroalkenes: Access to Contiguous Stereogenic Tryptamine Precursors","Journal of Organic Chemistry","2013","78","","2362","2372","10.1021/jo3024945","","","0.71073","MoKα","","0.0739","0.0696","","","0.1919","0.194","","","","","","1.071","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028022","7.359","0.005","7.989","0.005","12.405","0.005","83.867","0.005","80.951","0.005","87.08","0.005","715.7","0.7","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","2","","Biswajit Panda; Tarun K. Sarkar","Gold Catalysis: Regio- and Stereoselective Total Synthesis of Xyloketals D and G and the Related Natural Product Alboatrin","Journal of Organic Chemistry","2013","78","","2413","2421","10.1021/jo302545n","","","0.71073","MoKα","","0.1061","0.0545","","","0.1526","0.1899","","","","","","1.016","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028023","11.506","0.003","22.806","0.005","12.71","0.003","90","","107.571","0.003","90","","3179.6","1.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H70 O8 Si4 -","- C56 H102 O8 Si4 -","- C112 H204 O16 Si8 -","2","1","","Liang Lu; Wei Zhang; Sangkil Nam; David A. Horne; Richard Jove; Rich G. Carter","Amphidinolide B: Total Synthesis, Structural Investigation, and Biological Evaluation","Journal of Organic Chemistry","2013","78","","2213","2247","10.1021/jo3026077","","","0.71073","MoKα","","0.0986","0.0709","","","0.1756","0.198","","","","","","0.999","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028024","17.131","0.003","18.112","0.003","19.066","0.003","90","","102.984","0.002","90","","5764.5","1.7","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 O4 -","- C38 H38 O4 -","- C304 H304 O32 -","8","2","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0833","0.055","","","0.1204","0.1352","","","","","","0.999","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028025","15.4234","0.0018","15.0184","0.0018","14.9236","0.0018","90","","118.807","0.001","90","","3029","0.6","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O4 -","- C40 H42 O4 -","- C160 H168 O16 -","4","1","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0812","0.0586","","","0.1363","0.1459","","","","","","1.084","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028026","9.8661","0.0015","37.305","0.006","13.776","0.002","90","","104.852","0.002","90","","4900.9","1.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 O4 -","- C42 H46 O4 -","- C252 H276 O24 -","6","1.5","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0744","0.0491","","","0.1127","0.1256","","","","","","1.029","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028027","13.017","0.005","13.523","0.005","16.174","0.006","78.252","0.005","69.584","0.005","68.704","0.004","2476.4","1.6","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H74 O4 Si4 -","- C50 H74 O4 Si4 -","- C100 H148 O8 Si8 -","2","1","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.1449","0.0611","","","0.1195","0.1468","","","","","","0.84","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028028","10.5768","0.001","13.5065","0.0013","12.0761","0.0012","90","","90.12","0.001","90","","1725.1","0.3","93","","93","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0415","0.0375","","","0.0986","0.1016","","","","","","1.106","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028029","15.957","0.004","4.0031","0.001","15.819","0.004","90","","116.708","0.003","90","","902.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 Br S3 -","- C8 H3 Br S3 -","- C32 H12 Br4 S12 -","4","1","","Hui Han; Wenling Zhao; Jinsheng Song; Chunli Li; Hua Wang","Selectivity of Br/Li Exchange and Deprotonation of 4,4'-Dibromo-3,3'-bithiophene for Synthesis of Symmetrical and Unsymmetrical Dithienoheteroaromatic Rings","Journal of Organic Chemistry","2013","78","","2726","2730","10.1021/jo302635y","","","0.71073","MoKα","","0.1372","0.0858","","","0.2057","0.2367","","","","","","0.916","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028030","7.802","0.01","7.872","0.011","15.48","0.02","84.27","0.02","84.91","0.02","82.84","0.02","936","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H3 Br O S2 -","- C9 H3 Br O S2 -","- C36 H12 Br4 O4 S8 -","4","2","","Hui Han; Wenling Zhao; Jinsheng Song; Chunli Li; Hua Wang","Selectivity of Br/Li Exchange and Deprotonation of 4,4'-Dibromo-3,3'-bithiophene for Synthesis of Symmetrical and Unsymmetrical Dithienoheteroaromatic Rings","Journal of Organic Chemistry","2013","78","","2726","2730","10.1021/jo302635y","","","0.71073","MoKα","","0.1331","0.0739","","","0.1632","0.1802","","","","","","1.006","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028031","8.681","0.005","9.419","0.005","11.422","0.01","100.02","0.03","97.28","0.03","116.291","0.018","802.3","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Debjit Das; Sanjay Pratihar; Sujit Roy","Heterobimetallic Pd-Sn Catalysis: Michael Addition Reaction with C-, N-, O-, and S-Nucleophiles and in Situ Diagnostics","Journal of Organic Chemistry","2013","78","","2430","2442","10.1021/jo302643v","","","0.71073","MoKα","","0.123","0.0508","","","0.1208","0.1551","","","","","","0.929","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028032","5.6935","0.0007","7.4544","0.0009","29.487","0.004","90","","93.565","0.004","90","","1249.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O S -","- C15 H14 O S -","- C60 H56 O4 S4 -","4","1","","Debjit Das; Sanjay Pratihar; Sujit Roy","Heterobimetallic Pd-Sn Catalysis: Michael Addition Reaction with C-, N-, O-, and S-Nucleophiles and in Situ Diagnostics","Journal of Organic Chemistry","2013","78","","2430","2442","10.1021/jo302643v","","","0.71073","MoKα","","0.0612","0.0396","","","0.0871","0.0971","","","","","","1.029","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028033","12.015","0.004","15.895","0.005","16.253","0.005","90","","105.595","0.004","90","","2989.7","1.7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H36 F18 O6 -","- C72 H36 F18 O6 -","- C144 H72 F36 O12 -","2","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0834","0.0677","","","0.1788","0.1916","","","","","","1.132","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028034","10.282","0.006","11.031","0.006","10.571","0.006","90","","109.4","0.008","90","","1130.9","1.1","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(5-Bpinfuran-2-yl)acetylene","","","- C22 H28 B2 O6 -","- C22 H28 B2 O6 -","- C44 H56 B4 O12 -","2","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0438","0.0383","","","0.1046","0.1087","","","","","","1.087","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028035","5.765","0.003","9.629","0.004","11.29","0.006","108.22","0.03","100.96","0.03","104.09","0.04","552.8","0.5","93.15","","93.15","","","","","","","","","3","P -1","-P 1","2","","hexa(furan-2-yl)benzene","","- C30 H18 O6 -","- C30 H18 O6 -","- C30 H18 O6 -","1","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0454","0.0388","","","0.1083","0.1121","","","","","","1.081","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028036","7.657","0.004","8.565","0.005","11.673","0.007","98.048","0.01","101.158","0.007","97.855","0.008","733","0.7","93.15","","93.15","","","","","","","","","3","P -1","-P 1","2","hexakis(5-methylfuran-2-yl)benzene","hexakis(5-methylfuran-2-yl)benzene","","- C36 H30 O6 -","- C36 H30 O6 -","- C36 H30 O6 -","1","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0634","0.0457","","","0.1073","0.1187","","","","","","1.002","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028037","16.951","0.002","25.304","0.003","19.179","0.003","90","","90","","90","","8226.4","1.9","100","","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hexakis(5-Bpinfuran-2-yl)benzene","Hexakis[5-(4,4,5,5-tetramethyl-1,3,2-dioxaboryl)-2-furyl]benzene","","- C80 H100 B6 O18 -","- C80 H100 B6 O18 -","- C320 H400 B24 O72 -","4","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0754","0.071","","","0.1916","0.1961","","","","","","1.113","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028038","26.337","0.011","11.923","0.005","34.985","0.014","90","","96.567","0.005","90","","10914","8","100.15","","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Hexakis(5-phenylfuran-2-yl)benzene","","- C72 H56 O6 -","- C72 H56 O6 -","- C576 H448 O48 -","8","1","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.12","0.1049","","","0.2362","0.2461","","","","","","1.244","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028039","7.412","0.005","11.143","0.008","18.737","0.012","90","","94.162","0.015","90","","1543.4","1.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N O3 S -","- C16 H16 Br N O3 S -","- C64 H64 Br4 N4 O12 S4 -","4","1","","Boris Egart; Dieter Lentz; Constantin Czekelius","Diastereoselective Bromocyclization of O-Allyl-N-tosyl-hydroxylamines","Journal of Organic Chemistry","2013","78","","2490","2499","10.1021/jo3026725","","","0.71073","MoKα","","0.0504","0.04","","","0.1057","0.1115","","","","","","1.065","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028040","7.5229","0.0011","9.9379","0.0015","10.546","0.0015","78.088","0.003","88.577","0.003","74.232","0.003","742.02","0.19","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Br N O3 S -","- C14 H18 Br N O3 S -","- C28 H36 Br2 N2 O6 S2 -","2","1","","Boris Egart; Dieter Lentz; Constantin Czekelius","Diastereoselective Bromocyclization of O-Allyl-N-tosyl-hydroxylamines","Journal of Organic Chemistry","2013","78","","2490","2499","10.1021/jo3026725","","","0.71073","MoKα","","0.0293","0.0239","","","0.0605","0.0633","","","","","","1.065","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028041","9.254","0.0014","17.036","0.003","10.3534","0.0016","90","","94.202","0.003","90","","1627.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H51 N5 O8 -","- C27 H51 N5 O8 -","- C54 H102 N10 O16 -","2","1","","Matteo De Poli; Marta De Zotti; James Raftery; Juan A. Aguilar; Gareth A. Morris; Jonathan Clayden","Left-Handed Helical Preference in an Achiral Peptide Chain Is Induced by an l-Amino Acid in an N-Terminal Type II β-Turn","Journal of Organic Chemistry","2013","78","","2248","2255","10.1021/jo302705k","","","0.71073","MoKα","","0.0727","0.049","","","0.0639","0.0694","","","","","","0.831","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028042","11.926","0.002","8.7132","0.0017","13.814","0.003","90","","94.826","0.004","90","","1430.4","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H43 N5 O7 -","- C24 H43 N5 O7 -","- C48 H86 N10 O14 -","2","1","","Matteo De Poli; Marta De Zotti; James Raftery; Juan A. Aguilar; Gareth A. Morris; Jonathan Clayden","Left-Handed Helical Preference in an Achiral Peptide Chain Is Induced by an l-Amino Acid in an N-Terminal Type II β-Turn","Journal of Organic Chemistry","2013","78","","2248","2255","10.1021/jo302705k","","","0.71073","MoKα","","0.0914","0.0681","","","0.1087","0.1178","","","","","","1.021","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028043","8.103","0.002","9.953","0.003","10.356","0.004","90","","116.195","0.004","90","","749.4","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 S2 -","- C14 H20 N2 S2 -","- C28 H40 N4 S4 -","2","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0519","0.0486","","","0.1337","0.1386","","","","","","1.061","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028044","5.142","0.001","8.5329","0.0017","9.86","0.002","84.688","0.003","83.755","0.002","85.838","0.003","427.35","0.15","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Br2 N2 S2 -","- C14 H18 Br2 N2 S2 -","- C14 H18 Br2 N2 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0574","0.0535","","","0.1319","0.1344","","","","","","1.047","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028045","13.393","0.002","8.369","0.0014","10.1189","0.0016","90","","107.022","0.002","90","","1084.5","0.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N6 S2 -","- C20 H24 N6 S2 -","- C40 H48 N12 S4 -","2","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0486","0.0385","","","0.1104","0.1174","","","","","","1.099","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028046","5.4824","0.0015","9.311","0.003","11.76","0.003","82.339","0.004","77.41","0.003","73.259","0.004","559.4","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 S2 -","- C24 H26 N4 S2 -","- C24 H26 N4 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0596","0.0454","","","0.1174","0.127","","","","","","0.974","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028047","5.175","0.013","25.53","0.06","9.45","0.02","90","","117.87","0.04","90","","1104","4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 S4 -","- C22 H24 N2 S4 -","- C44 H48 N4 S8 -","2","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.1891","0.0918","","","0.2119","0.2475","","","","","","0.952","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028048","5.4606","0.0019","12.111","0.004","14.081","0.005","100.073","0.005","96.591","0.007","101.281","0.006","888.4","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N4 O6 S2 -","- C34 H42 N4 O6 S2 -","- C34 H42 N4 O6 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.1748","0.0908","","","0.2409","0.2773","","","","","","1.046","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028049","8.436","0.006","9.551","0.007","10.274","0.007","102.203","0.009","105.772","0.009","100.009","0.009","754.7","0.9","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O4 S2 -","- C32 H36 N2 O4 S2 -","- C32 H36 N2 O4 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0528","0.0354","","","0.0763","0.0823","","","","","","0.919","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028050","5.3465","0.0003","20.9082","0.0013","25.018","0.0015","90","","90","","90","","2796.7","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N O8 -","- C27 H39 N O8 -","- C108 H156 N4 O32 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.1233","0.0999","","0.2588","0.243","0.2588","","","","","","1.063","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028051","10.3911","0.0003","9.1043","0.0002","13.9722","0.0004","90","","109.534","0.0011","90","","1245.74","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O4 -","- C26 H35 N O4 -","- C52 H70 N2 O8 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","0.71073","MoKα","","0.0421","0.0352","","0.0873","0.08","0.0873","","","","","","0.9414","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028052","9.9357","0.0005","5.3382","0.0005","25.56","0.003","90","","90.009","0.007","90","","1355.7","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 N5 O9 S -","- C23 H33 N5 O9 S -","- C46 H66 N10 O18 S2 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.0996","0.0907","","0.2431","0.2365","0.2431","","","","","","1.0363","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028053","5.49231","0.00008","16.4313","0.0003","25.747","0.0004","90","","90","","90","","2323.56","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O7 -","- C23 H33 N O7 -","- C92 H132 N4 O28 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.0333","0.0306","","0.0779","0.0748","0.0779","","","","","","1","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028054","8.491","0.004","7.053","0.005","15.167","0.008","90","","99.67","0.01","90","","895.4","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O3 -","- C20 H24 N4 O3 -","- C40 H48 N8 O6 -","2","1","","Giordano Lesma; Roberto Cecchi; Alfredo Cagnotto; Marco Gobbi; Fiorella Meneghetti; Manuele Musolino; Alessandro Sacchetti; Alessandra Silvani","Tetrahydro-β-carboline-Based Spirocyclic Lactam as Type II' β-Turn: Application to the Synthesis and Biological Evaluation of Somatostatine Mimetics","Journal of Organic Chemistry","2013","78","","2600","2610","10.1021/jo302737j","","x-ray","0.71073","MoKα","","0.0636","0.0582","","","0.1514","0.1592","","","","","","1.061","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028055","10.885","0.0005","11.4534","0.0005","18.6129","0.0009","90","","90","","90","","2320.48","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 B2 O2 P2 -","- C20 H40 B2 O2 P2 -","- C80 H160 B8 O8 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0797","0.0541","","","0.1191","0.1719","","","","","","1.188","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028056","6.6655","0.0002","13.8497","0.0004","30.6661","0.001","90","","90","","90","","2830.95","0.15","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 B2 O4 P2 -","- C24 H48 B2 O4 P2 -","- C96 H192 B8 O16 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0535","0.0448","","","0.094","0.1085","","","","","","1.132","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028057","10.5555","0.0006","16.2892","0.0009","19.6227","0.001","90","","90","","90","","3373.9","0.3","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H56 B2 O6 P2 -","- C28 H56 B2 O6 P2 -","- C112 H224 B8 O24 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0529","0.0412","","","0.0864","0.1107","","","","","","1.123","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028058","11.3813","0.0006","14.2524","0.0008","17.1841","0.001","90","","90","","90","","2787.4","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 Cl2 O4 P2 Pt -","- C24 H42 Cl2 O4 P2 Pt -","- C96 H168 Cl8 O16 P8 Pt4 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKa","","0.0416","0.0366","","","0.0713","0.0776","","","","","","1.05","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028059","11.102","0.003","13.823","0.003","21.704","0.006","78.067","0.009","83.121","0.009","69.937","0.008","3056.7","1.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H72 O -","- C84 H72 O -","- C168 H144 O2 -","2","1","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.1051","0.0636","","","0.1698","0.1993","","","","","","1.075","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028060","15.6315","0.0037","15.9006","0.0037","26.612","0.0063","91.09","0.015","105.275","0.015","111.548","0.014","5885","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C254.5 H293 Cl5 O0 Si12 -","- C254.5 H288 Cl5 Si12 -","- C254.5 H288 Cl5 Si12 -","1","0.5","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.2036","0.0924","","","0.2446","0.3041","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028061","55.846","0.012","6.9266","0.0014","44.338","0.01","90","","95.087","0.017","90","","17083","6","120","2","120","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C38 H32 -","- C38 H32 -","- C912 H768 -","24","6","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.2051","0.1536","","","0.4004","0.4437","","","","","","1.708","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028062","15.4016","0.0005","8.3054","0.0002","25.6869","0.0007","90","","99.922","0.001","90","","3236.63","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35.6 Cl0.4 O1.2 -","- C50 H34.4 Cl0.4 O1.2 -","- C200 H137.6 Cl1.6 O4.8 -","4","1","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.0834","0.063","","","0.1882","0.2124","","","","","","1.136","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028063","11.009","0.0003","9.033","0.0003","12.537","0.0004","90","","105.775","0.001","90","","1199.78","0.06","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H18 O7 -","- C10 H18 O7 -","- C40 H72 O28 -","4","1","","Himali Y. Godage; Andrew M. Riley; Timothy J. Woodman; Mark P. Thomas; Mary F. Mahon; Barry V. L. Potter","Regioselective Opening of myo-Inositol Orthoesters: Mechanism and Synthetic Utility","Journal of Organic Chemistry","2013","78","","2275","2288","10.1021/jo3027774","","","0.71073","MoKα","","0.056","0.0429","","","0.1104","0.1212","","","","","","1.049","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028064","9.5443","0.0006","10.3293","0.0005","13.6741","0.0008","93.636","0.004","98.925","0.005","113.086","0.005","1213.6","0.13","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br N O7 -","- C26 H28 Br N O7 -","- C52 H56 Br2 N2 O14 -","2","1","","Mehdi Ghandi; Ali-Tabatabaei Ghomi; Maciej Kubicki","Synthesis of Cyclopentadiene-Fused Chromanones via One-Pot Multicomponent Reactions","Journal of Organic Chemistry","2013","78","","2611","2616","10.1021/jo302790y","","","1.54178","CuKα","","0.0437","0.0428","","","0.1194","0.1204","","","","","","1.064","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028065","5.1732","0.0003","9.5105","0.0006","23.2668","0.0015","90","","90","","90","","1144.72","0.12","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4S,6R)-3-oxo-4-(2-pyrrolyl)-2,5-diazabicyclo[4.4.0]decane","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C48 H68 N12 O4 -","4","1","","Elżbieta Wojaczyńska; Julia Bąkowicz; Mateusz Dorsz; Jacek Skarżewski","Monoimine Derived from trans-1,2-Diaminocyclohexane and Ethyl Glyoxylate: An Intermediate in Aza-Diels-Alder and Mannich Reactions","Journal of Organic Chemistry","2013","78","","2808","2811","10.1021/jo302820m","","","0.71073","MoKα","","0.0359","0.0319","","","0.0712","0.0735","","","","","","1.095","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028066","8.1475","0.0001","11.0267","0.0002","19.1568","0.0004","90","","90","","90","","1721.05","0.05","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl3 N O3 -","- C15 H18 Cl3 N O3 -","- C60 H72 Cl12 N4 O12 -","4","1","","Che-Wah Lee; Ricardo Lira; Jason Dutra; Kevin Ogilvie; Brian T. O'Neill; Michael Brodney; Christopher Helal; Joseph Young; Erik Lachapelle; Subas Sakya; John C. Murray","Stereoselective Synthesis of Spiropiperidines as BACE-1 Aspartyl Protease Inhibitors via Late Stage N-Arylation of a 1,8-Diazaspiro[4.5]dec-3-en-2-one Pharmacophore","Journal of Organic Chemistry","2013","78","","2661","2669","10.1021/jo400016m","","","1.54178","CuKα","","0.0488","0.0419","","","0.1061","0.1119","","","","","","1.025","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028067","9.1205","0.0016","10.177","0.0017","39.051","0.007","90","","90","","90","","3624.7","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 Cl N2 O4 -","- C16 H23 Cl N2 O4 -","- C128 H184 Cl8 N16 O32 -","8","2","","Che-Wah Lee; Ricardo Lira; Jason Dutra; Kevin Ogilvie; Brian T. O'Neill; Michael Brodney; Christopher Helal; Joseph Young; Erik Lachapelle; Subas Sakya; John C. Murray","Stereoselective Synthesis of Spiropiperidines as BACE-1 Aspartyl Protease Inhibitors via Late Stage N-Arylation of a 1,8-Diazaspiro[4.5]dec-3-en-2-one Pharmacophore","Journal of Organic Chemistry","2013","78","","2661","2669","10.1021/jo400016m","","","1.54178","CuKα","","0.0672","0.0584","","","0.1465","0.1583","","","","","","1.059","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028068","10.2036","0.0018","14.265","0.0015","18.965","0.003","90","","97.125","0.011","90","","2739.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H30 N4 O8 -","- C28 H30 N4 O8 -","- C112 H120 N16 O32 -","4","1","","Codruţa C. Paraschivescu; Mihaela Matache; Cristian Dobrotă; Alina Nicolescu; Cătălin Maxim; Călin Deleanu; Ileana C. Fărcăşanu; Niculina D. Hădade","Unexpected Formation of N-(1-(2-Aryl-hydrazono)isoindolin-2-yl)benzamides and Their Conversion into 1,2-(Bis-1,3,4-oxadiazol-2-yl)benzenes","Journal of Organic Chemistry","2013","78","","2670","2679","10.1021/jo400023z","","","0.5608","AgKα","","0.1374","0.0778","","","0.1483","0.1709","","","","","","1.031","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028069","8.3104","0.0009","32.937","0.003","11.4746","0.0012","90","","110.755","0.004","90","","2937","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 Cl N3 O8 -","- C33 H28 Cl N3 O8 -","- C132 H112 Cl4 N12 O32 -","4","2","","Bing Zhou; Yaxi Yang; Jingjing Shi; Zhi Luo; Yuanchao Li","Synthesis of Six-Membered Spirocyclic Oxindoles with Five Consecutive Stereocenters in an Asymmetric Organocatalytic One-Pot Michael/Michael/Aldol Addition Sequence","Journal of Organic Chemistry","2013","78","","2897","2907","10.1021/jo302655u","","","0.71073","MoKα","","0.1542","0.1325","","","0.3514","0.3639","","","","","","1.447","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028070","9.5814","0.0002","6.9221","0.0002","12.0783","0.0003","90","","110.016","0.001","90","","752.69","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Robert D. Giacometti; Jan Duchek; Lukas Werner; Afeef S. Husni; Christopher R. McCurdy; Stephen J. Cutler; D. Phillip Cox; Tomas Hudlicky","Heteroatom Analogues of Hydrocodone: Synthesis and Biological Activity","Journal of Organic Chemistry","2013","78","","2914","2925","10.1021/jo3026753","","","1.54178","CuKα","","0.0307","0.0305","","","0.0852","0.0854","","","","","","1.068","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028071","8.1138","0.0012","13.118","0.002","15.489","0.003","81.523","0.007","81.844","0.007","73.917","0.006","1557.9","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H56 F12 Fe2 N4 O12 S4 -","- C58 H56 F12 Fe2 N4 O12 S4 -","- C58 H56 F12 Fe2 N4 O12 S4 -","1","0.5","","Yonghai Li; Guanxin Zhang; Ge Yang; Yunlong Guo; Chong'an Di; Xin Chen; Zitong Liu; Huiying Liu; Zhenzhen Xu; Wei Xu; Hongbing Fu; Deqing Zhang","Extended π-Conjugated Molecules Derived from Naphthalene Diimides toward Organic Emissive and Semiconducting Materials","Journal of Organic Chemistry","2013","78","","2926","2934","10.1021/jo302677k","","","0.71073","MoKα","","0.07","0.0606","","","0.1268","0.1327","","","","","","1.138","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028072","8.1567","0.001","10.7545","0.0013","12.9755","0.0016","109.98","0.002","103.478","0.002","97.274","0.002","1013.4","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O8 -","- C21 H22 N2 O8 -","- C42 H44 N4 O16 -","2","1","","Laural A. Fisher; Natalee J. Smith; Joseph M. Fox","Chiral Cyclopropenyl Ketones: Reactive and Selective Diels-Alder Dienophiles","Journal of Organic Chemistry","2013","78","","3342","3348","10.1021/jo302683t","","","0.71073","MoKα","","0.0412","0.0385","","","0.1403","0.1483","","","","","","1.04","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028073","10.2995","0.0006","10.9546","0.0006","11.6942","0.0005","89.674","0.004","81.951","0.004","73.64","0.005","1252.74","0.12","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N7 O4 -","- C26 H29 N7 O4 -","- C52 H58 N14 O8 -","2","1","","Davit Jishkariani; C. Dennis Hall; Aydin Demircan; Blake J. Tomlin; Peter J. Steel; Alan R. Katritzky","Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes","Journal of Organic Chemistry","2013","78","","3349","3354","10.1021/jo302697q","","","1.54184","CuKα","","0.0482","0.0373","","","0.0954","0.1035","","","","","","1.03","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028074","10.1554","0.0004","10.8156","0.0004","10.8847","0.0004","79.384","0.003","82.776","0.003","74.162","0.004","1126.86","0.08","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N6 O2 -","- C27 H22 N6 O2 -","- C54 H44 N12 O4 -","2","1","","Davit Jishkariani; C. Dennis Hall; Aydin Demircan; Blake J. Tomlin; Peter J. Steel; Alan R. Katritzky","Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes","Journal of Organic Chemistry","2013","78","","3349","3354","10.1021/jo302697q","","","1.54184","CuKα","","0.0411","0.0345","","","0.0879","0.0931","","","","","","1","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028075","7.65041","0.00017","14.0243","0.0003","24.1551","0.0006","90","","91.567","0.002","90","","2590.67","0.1","393","2","393","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 I N6 O2 -","- C28 H25 I N6 O2 -","- C112 H100 I4 N24 O8 -","4","1","","Davit Jishkariani; C. Dennis Hall; Aydin Demircan; Blake J. Tomlin; Peter J. Steel; Alan R. Katritzky","Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes","Journal of Organic Chemistry","2013","78","","3349","3354","10.1021/jo302697q","","","1.54184","CuKα","","0.0477","0.0431","","","0.1093","0.1138","","","","","","1.045","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028076","8.9185","0.0011","10.0484","0.0013","11.7694","0.0015","66.01","0.003","68.622","0.003","67.713","0.003","863.6","0.19","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C40 H40 O6 S -","- C40 H40 O6 S -","- C40 H40 O6 S -","1","1","","Olivier St-Jean; Michel Prévost; Yvan Guindon","Study of the Endocyclic versus Exocyclic C-O Bond Cleavage Pathways of α- and β-Methyl Furanosides","Journal of Organic Chemistry","2013","78","","2935","2946","10.1021/jo3027438","","","0.71073","MoKα","","0.0435","0.036","","","0.0724","0.0752","","","","","","1.03","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028077","6.1467","0.001","23.558","0.004","9.1819","0.0015","90","","107.636","0.002","90","","1267.1","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Cl4 N O4 S2 -","- C24 H21 Cl4 N O4 S2 -","- C48 H42 Cl8 N2 O8 S4 -","2","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0325","0.0285","","","0.0605","0.0619","","","","","","1.048","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028078","8.5719","0.0005","14.7555","0.0009","15.693","0.0009","90","","90","","90","","1984.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C80 H96 N8 O16 S8 -","4","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0257","0.0238","","","0.0619","0.063","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028079","8.9037","0.0003","10.0646","0.0003","24.9129","0.0007","90","","90","","90","","2232.5","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl2 N O3 S2 -","- C22 H21 Cl2 N O3 S2 -","- C88 H84 Cl8 N4 O12 S8 -","4","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0213","0.0205","","","0.052","0.0525","","","","","","1.058","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028080","8.2706","0.0004","11.4435","0.0005","16.388","0.0009","90","","90","","90","","1551.04","0.13","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","(3aS,4aS,5R,8S,8aR,9R,9aS)-3a-allyl-9-hydroxy-2,2-dimethyl-4a,5,8,8a,9,9a- hexahydro-5,8-methanonaphtho[2,3-d][1,3]dioxol-4(3aH)-one","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Goverdhan Mehta; Nagi Reddy Modugu","Concise Approach to the Carbocyclic Core of the Naturally Occurring Sphingomyelinase Inhibitor Scyphostatin","Journal of Organic Chemistry","2013","78","","3367","3373","10.1021/jo3028196","","","0.71073","MoKa","","0.0398","0.0339","","","0.0762","0.0795","","","","","","1.079","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028081","28.465","0.014","16.248","0.003","23.16","0.03","90","","122.23","0.05","90","","9061","14","293","2","293","2","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","(1S*,2R*,4R*,8R*,9S*,10S*,11R*)-9-hydroxy-6,6-dimethyl-8-(prop-2-en-1-yl)- 5,7-dioxatetracyclo[9.2.1.0^2,10^.0^4,8^]tetradec-12-en-3-one","","- C17 H22 O4 -","- C17 H22 O4 -","- C408 H528 O96 -","24","3","","Goverdhan Mehta; Nagi Reddy Modugu","Concise Approach to the Carbocyclic Core of the Naturally Occurring Sphingomyelinase Inhibitor Scyphostatin","Journal of Organic Chemistry","2013","78","","3367","3373","10.1021/jo3028196","","","0.7107","MoKα","","0.2131","0.0948","","","0.2048","0.2776","","","","","","0.986","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028082","8.5453","0.0007","12.4572","0.0011","19.0765","0.0016","95.307","0.002","98.94","0.002","96.754","0.002","1979.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C108 H80 N8 O4 -","4","2","","Lehao Huang; Qian Li; Chen Wang; Chenze Qi","Palladium(II)-Catalyzed Regioselective Arylation of Naphthylamides with Aryl Iodides Utilizing a Quinolinamide Bidentate System","Journal of Organic Chemistry","2013","78","","3030","3038","10.1021/jo400017v","","","0.71073","MoKα","","0.046","0.0376","","","0.1269","0.1495","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028083","15.0385","0.0004","15.1515","0.0004","20.2535","0.0005","97.366","0.001","101.544","0.001","100.972","0.001","4372","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H56.5 N2 O4.25 S2 -","- C53 H56.5 N2 O4.25 S2 -","- C212 H226 N8 O17 S8 -","4","2","","Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness","Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties","Journal of Organic Chemistry","2013","78","","2853","2862","10.1021/jo400026r","","","0.71073","MoKα","","0.0627","0.0416","","","0.1","0.112","","","","","","1.01","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028084","19.622","0.001","20.8987","0.0007","16.5571","0.001","90","","113.399","0.006","90","","6231.3","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 N2 O8 S2 -","- C74 H82 N2 O8 S2 -","- C296 H328 N8 O32 S8 -","4","1","","Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness","Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties","Journal of Organic Chemistry","2013","78","","2853","2862","10.1021/jo400026r","","","1.54184","CuKα","","0.154","0.112","","","0.255","0.281","","","","","","1.11","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028085","20.9121","0.0006","13.3093","0.0003","24.3484","0.0006","90","","107.082","0.003","90","","6477.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H83 Cl3 N2 O8 S2 -","- C75 H83 Cl3 N2 O8 S2 -","- C300 H332 Cl12 N8 O32 S8 -","4","1","","Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness","Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties","Journal of Organic Chemistry","2013","78","","2853","2862","10.1021/jo400026r","","","1.5418","CuKα","","0.119","0.0947","","","0.244","0.261","","","","","","1.08","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028086","9.4776","0.0006","10.8233","0.0007","19.093","0.002","90","","97.824","0.007","90","","1940.3","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 Br N O4 S -","- C18 H24 Br N O4 S -","- C72 H96 Br4 N4 O16 S4 -","4","2","","Kimberly Geoghegan; Paul Evans","Double Reduction of Cyclic Aromatic Sulfonamides: Synthesis of (+)-Mesembrine and (+)-Mesembranol","Journal of Organic Chemistry","2013","78","","3410","3415","10.1021/jo4000306","","","0.71073","MoKα","","0.0583","0.0477","","","0.1127","0.1197","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028087","11.441","0.0005","21.855","0.001","18.5306","0.0008","90","","126.626","0.003","90","","3718.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N4 O3 -","- C48 H40 N4 O3 -","- C192 H160 N16 O12 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0987","0.0874","","","0.2245","0.2324","","","","","","1.082","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028088","23.6921","0.0005","13.748","0.0003","25.7494","0.0008","90","","117.234","0.001","90","","7457.3","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H38.5 N4.5 O4 -","- C48.5 H38.5 N4.5 O4 -","- C388 H308 N36 O32 -","8","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0607","0.0516","","","0.1466","0.1551","","","","","","0.967","","","","has coordinates","271475","2021-12-16","11:44:13",""
"4028089","12.5921","0.0004","12.9701","0.0004","14.85","0.0005","111.992","0.001","96.561","0.001","97.727","0.001","2192.37","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H38 N4 O5 Zn -","- C47 H38 N4 O5 Zn -","- C94 H76 N8 O10 Zn2 -","2","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0645","0.0629","","","0.1734","0.1748","","","","","","0.968","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028090","9.4468","0.0002","13.2846","0.0003","30.4999","0.0007","90","","90","","90","","3827.64","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H40 N4 O4 -","- C47 H40 N4 O4 -","- C188 H160 N16 O16 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0876","0.0808","","","0.2144","0.2213","","","","","","0.945","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028091","20.5804","0.0004","9.537","0.0002","19.1964","0.0004","90","","91.8","0.001","90","","3765.92","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H40 N4 O4 -","- C47 H40 N4 O4 -","- C188 H160 N16 O16 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.097","0.0814","","","0.2308","0.2549","","","","","","0.894","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028092","20.332","0.0005","11.1841","0.0003","18.4019","0.0005","90","","109.587","0.001","90","","3942.36","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 N4 O3 -","- C49 H44 N4 O3 -","- C196 H176 N16 O12 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0904","0.0825","","","0.2563","0.2674","","","","","","1.037","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028093","29.031","0.002","6.2194","0.0003","13.9536","0.0007","90","","110.789","0.007","90","","2355.4","0.3","135","0.1","135","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25.5 H30 Cl N3 O4 -","- C25.5 H30 Cl N3 O4 -","- C102 H120 Cl4 N12 O16 -","4","1","","Liang Xia; Sheng Li; Ruijiao Chen; Kai Liu; Xiaochuan Chen","Catalytic Ugi-Type Condensation of α-Isocyanoacetamide and Chiral Cyclic Imine: Access to Asymmetric Construction of Several Heterocycles","Journal of Organic Chemistry","2013","78","","3120","3131","10.1021/jo4000702","","","0.7107","MoKα","","0.0526","0.037","","","0.0669","0.0705","","","","","","0.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028094","7.559","0.006","19.638","0.015","12.109","0.01","90","","90","","90","","1798","2","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","1","","Guodong Yin; Tianbing Ren; Yin Rao; Yifan Zhou; Zhexian Li; Wenming Shu; Anxin Wu","Stereoselective Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Michael Addition/Bicyclization Reaction","Journal of Organic Chemistry","2013","78","","3132","3141","10.1021/jo400081q","","","0.71073","MoKα","","0.0371","0.0319","","","0.0729","0.0767","","","","","","1.054","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028095","11.5257","0.0018","9.4236","0.0015","17.54","0.003","90","","107.883","0.002","90","","1813","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O3 S -","- C21 H20 O3 S -","- C84 H80 O12 S4 -","4","1","","Guodong Yin; Tianbing Ren; Yin Rao; Yifan Zhou; Zhexian Li; Wenming Shu; Anxin Wu","Stereoselective Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Michael Addition/Bicyclization Reaction","Journal of Organic Chemistry","2013","78","","3132","3141","10.1021/jo400081q","","","0.71073","MoKα","","0.0573","0.0509","","","0.1521","0.165","","","","","","1.094","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028096","14.211","0.0007","8.2737","0.0003","19.509","0.001","90","","109.519","0.005","90","","2162","0.19","120","1","120","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O10 -","- C20 H26 O10 -","- C80 H104 O40 -","4","2","","Kavirayani R. Prasad; Phaneendra Gutala","Total Synthesis and Determination of the Absolute Configuration of 5,6-Dihydro-α-pyrone Natural Product Synargentolide B","Journal of Organic Chemistry","2013","78","","3313","3322","10.1021/jo400083v","","x-ray","0.71073","MoKα","","0.0677","0.0507","","","0.1065","0.119","","","","","","1.04","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028097","8.0198","0.0008","12.5842","0.0013","18.2924","0.0019","88.317","0.003","80.352","0.003","72.342","0.003","1733.8","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 N2 O2 Si2 -","- C36 H48 N2 O2 Si2 -","- C72 H96 N4 O4 Si4 -","2","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.1061","0.0645","","","0.1406","0.1656","","","","","","1.028","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028098","8.1824","0.0007","13.9297","0.0012","15.7861","0.0014","71.224","0.002","77.184","0.002","77.313","0.002","1639.5","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 N2 O2 Si2 -","- C32 H46 N2 O2 Si2 -","- C64 H92 N4 O4 Si4 -","2","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.0606","0.0483","","","0.1308","0.1403","","","","","","1.047","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028099","31.2074","0.0015","8.2678","0.0004","28.3232","0.0013","90","","107.021","0.001","90","","6987.8","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 N2 O2 Si2 -","- C36 H48 N2 O2 Si2 -","- C288 H384 N16 O16 Si16 -","8","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.0975","0.0556","","","0.1431","0.1651","","","","","","1.031","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028100","34.075","0.006","15.776","0.003","14.143","0.002","90","","100.877","0.004","90","","7466","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 N2 O2 Si2 -","- C40 H50 N2 O2 Si2 -","- C320 H400 N16 O16 Si16 -","8","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.0619","0.0453","","","0.121","0.1333","","","","","","1.034","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028101","8.4932","0.0012","17.857","0.003","25.874","0.004","87.374","0.004","81.836","0.004","78.822","0.004","3810","1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 N2 O2 Si2 -","- C40 H50 N2 O2 Si2 -","- C160 H200 N8 O8 Si8 -","4","2","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.1447","0.1054","","","0.2381","0.2597","","","","","","1.115","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028102","32","0.005","7.9673","0.0011","34.764","0.004","90","","113.32","0.004","90","","8139","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 N2 O2 Si2 -","- C44 H52 N2 O2 Si2 -","- C352 H416 N16 O16 Si16 -","8","2","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.1337","0.0643","","","0.1467","0.177","","","","","","1.001","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028103","5.743","0.005","9.43","0.005","18.057","0.005","90.784","0.005","94.855","0.005","106.042","0.005","935.7","1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 N4 -","- C22 H20 N4 -","- C44 H40 N8 -","2","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.0589","0.0408","","","0.1261","0.1503","","","","","","1.021","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028104","6.149","0.005","7.323","0.005","40.953","0.005","90","0.005","90.751","0.005","90","0.005","1844","2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N4 -","- C22 H20 N4 -","- C88 H80 N16 -","4","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.0795","0.0475","","","0.129","0.1608","","","","","","0.995","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028105","6.439","0.005","7.222","0.005","39.313","0.005","90","0.005","90.207","0.005","90","0.005","1828.1","1.9","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N5 -","- C21 H19 N5 -","- C84 H76 N20 -","4","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.1059","0.0725","","","0.1945","0.232","","","","","","1.172","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028106","12.286","0.005","13.694","0.005","15.58","0.005","90","0.005","110.838","0.005","90","0.005","2449.8","1.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N3 -","- C31 H25 N3 -","- C124 H100 N12 -","4","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.0621","0.04","","","0.1253","0.1501","","","","","","1.014","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028107","9.0919","0.0003","12.6482","0.0004","11.9258","0.0004","90","","94.663","0.002","90","","1366.88","0.08","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O3 S -","- C33 H31 N O3 S -","- C66 H62 N2 O6 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0469","0.04","","","0.102","0.1136","","","","","","1.076","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028108","9.1148","0.0003","10.8578","0.0004","15.6645","0.0006","90","","106.397","0.002","90","","1487.21","0.09","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H33 N O4 S -","- C35 H33 N O4 S -","- C70 H66 N2 O8 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0408","0.0359","","","0.0928","0.1028","","","","","","1.097","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028109","8.4185","0.0001","10.1636","0.0001","10.2129","0.0001","94.193","0.001","110.298","0.001","113.931","0.001","725.441","0.017","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C35 H33 N O4 S -","- C35 H33 N O4 S -","- C35 H33 N O4 S -","1","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0385","0.0351","","","0.0925","0.0981","","","","","","1.055","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028110","10.8387","0.001","12.1976","0.001","13.2644","0.0011","107.99","0.006","92.021","0.006","92.084","0.006","1664.8","0.3","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H39 N O4 S -","- C38 H39 N O4 S -","- C76 H78 N2 O8 S2 -","2","2","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.1261","0.0897","","","0.2183","0.2476","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028111","10.0149","0.0008","17.024","0.0013","17.8106","0.0011","90","","90","","90","","3036.6","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O4 S -","- C34 H37 N O4 S -","- C136 H148 N4 O16 S4 -","4","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0525","0.0414","","","0.1005","0.1111","","","","","","1.09","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028112","13.044","0.0007","9.9527","0.0005","13.2043","0.0007","90","","114.231","0.002","90","","1563.2","0.14","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H39 N O4 S -","- C35 H39 N O4 S -","- C70 H78 N2 O8 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0801","0.0506","","","0.1118","0.1359","","","","","","1.07","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028113","15.6706","0.0004","11.6448","0.0003","18.6587","0.0004","90","","90","","90","","3404.86","0.14","103","2","103","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H45 N O5 S Si -","- C37 H45 N O5 S Si -","- C148 H180 N4 O20 S4 Si4 -","4","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0627","0.0465","","","0.106","0.1261","","","","","","1.04","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028114","8.5258","0.0017","34.215","0.007","13.071","0.003","90","","107.06","0.03","90","","3645.2","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H98 N2 O20 -","- C80 H98 N2 O20 -","- C160 H196 N4 O40 -","2","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1102","0.096","","","0.1538","0.1594","","","","","","1.292","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028115","13.7223","0.0014","14.0686","0.0014","14.395","0.0014","102.491","0.002","101.542","0.002","108.119","0.002","2469.3","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H122 F12 N2 O22 P2 -","- C96 H122 F12 N2 O22 P2 -","- C96 H122 F12 N2 O22 P2 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.0959","0.0637","","","0.1683","0.1986","","","","","","1.019","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028116","14.418","0.002","15.829","0.003","15.956","0.003","88.52","0.008","83.827","0.008","65.386","0.004","3290.7","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H136 F24 N4 O20 P4 -","- C124 H136 F24 N4 O20 P4 -","- C124 H136 F24 N4 O20 P4 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.0909","0.0764","","","0.1831","0.1924","","","","","","1.08","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028117","39.83","0.008","15.198","0.003","25.284","0.005","90","","108.23","0.03","90","","14537","6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H144 F24 N4 O20 P4 -","- C128 H144 F24 N4 O20 P4 -","- C512 H576 F96 N16 O80 P16 -","4","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1569","0.1292","","","0.325","0.3404","","","","","","1.941","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028118","14.804","0.003","17.814","0.004","25.418","0.005","76.22","0.03","78.43","0.03","80.62","0.03","6331","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H141 F28 N7 O20 P4 -","- C130 H141 F28 N7 O20 P4 -","- C260 H282 F56 N14 O40 P8 -","2","1","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1152","0.0933","","","0.1798","0.1926","","","","","","1.174","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028119","11.819","0.004","15.066","0.005","15.443","0.005","104.587","0.003","98.719","0.003","110.301","0.004","2407.9","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H112 Cl2 F12 N2 O20 P2 -","- C100 H112 Cl2 F12 N2 O20 P2 -","- C100 H112 Cl2 F12 N2 O20 P2 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1062","0.0845","","","0.1949","0.2113","","","","","","1.111","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028120","11.783","0.004","15.157","0.005","15.464","0.005","104.62","0.003","99.12","0.003","110.08","0.004","2416.9","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H112 Br2 F12 N2 O20 P2 -","- C100 H112 Br2 F12 N2 O20 P2 -","- C100 H112 Br2 F12 N2 O20 P2 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.0926","0.0763","","","0.1663","0.1773","","","","","","1.068","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028121","13.4033","0.0011","15.6426","0.0014","17.7463","0.0015","66.405","0.005","87.465","0.006","66.34","0.005","3092.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H134 F24 N10 O20 P4 -","- C112 H134 F24 N10 O20 P4 -","- C112 H134 F24 N10 O20 P4 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","1.54186","CuKα","","0.077","0.0642","","","0.1668","0.1747","","","","","","1.079","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028122","14.8","0.003","17.228","0.003","19.16","0.004","71.4","0.03","80.78","0.03","77.61","0.03","4500","1.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H114 F12 N2 O20 P2 -","- C96 H114 F12 N2 O20 P2 -","- C192 H228 F24 N4 O40 P4 -","2","1","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.2153","0.1713","","","0.3974","0.4345","","","","","","1.183","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028123","9.9911","0.0007","10.4994","0.0007","18.8049","0.0013","90","","90","","90","","1972.6","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br2 N2 O5 -","- C18 H18 Br2 N2 O5 -","- C72 H72 Br8 N8 O20 -","4","1","","Hyo-Jun Lee; Chang-Woo Cho","Cinchona-Based Primary Amine-Catalyzed Asymmetric Cascade Aza-Michael-Aldol Reactions of Enones with 2-(1H-Pyrrol-2-yl)-2-oxoacetates: Synthesis of Chiral Pyrrolizines with Multistereocenters","Journal of Organic Chemistry","2013","78","","3306","3312","10.1021/jo4001614","","","0.71073","MoKα","","0.0951","0.0415","","","0.0843","0.1268","","","","","","1.06","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028124","14.842","0.004","6.615","0.002","24.531","0.009","90","","90","","90","","2408.4","1.3","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","2","","Debkumar Nandi; Debalina Ghosh; Shih-Ji Chen; Bing-Chiuan Kuo; Nancy M. Wang; Hon Man Lee","One-Step Synthesis of Isocoumarins and 3-Benzylidenephthalides via Ligandless Pd-Catalyzed Oxidative Coupling of Benzoic Acids and Vinylarenes","Journal of Organic Chemistry","2013","78","","3445","3451","10.1021/jo400174w","","x-ray","0.71073","MoKα","","0.2255","0.0642","","","0.1037","0.144","","","","","","0.857","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028125","13.6637","0.0009","26.4984","0.0016","8.3392","0.0006","90","","90","","90","","3019.3","0.3","150","2","150","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","1","","Debkumar Nandi; Debalina Ghosh; Shih-Ji Chen; Bing-Chiuan Kuo; Nancy M. Wang; Hon Man Lee","One-Step Synthesis of Isocoumarins and 3-Benzylidenephthalides via Ligandless Pd-Catalyzed Oxidative Coupling of Benzoic Acids and Vinylarenes","Journal of Organic Chemistry","2013","78","","3445","3451","10.1021/jo400174w","","x-ray","0.71073","MoKα","","0.1703","0.0617","","","0.1335","0.1801","","","","","","0.927","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028126","12.269","0.004","12.814","0.004","11.38","0.003","90","","98.462","0.005","90","","1769.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N O3 -","- C20 H18 Cl N O3 -","- C80 H72 Cl4 N4 O12 -","4","1","","Xu Liu; Ning Zhang; Jiming Yang; Yongjiu Liang; Rui Zhang; Dewen Dong","Hydrogen Bond-Assisted 6π-Azaelectrocyclization of Penta-2,4-dienamides: Synthesis of Dihydropyridin-2(3H)-ones","Journal of Organic Chemistry","2013","78","","3323","3328","10.1021/jo4001959","","","0.71073","MoKα","","0.2018","0.0909","","","0.2448","0.3123","","","","","","1","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028127","22.857","0.001","7.33","0.001","23.337","0.001","90","","90","","90","","3909.9","0.6","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","2,9-dibutyl-3,8-dichloronaphtho[1,2-b:8,7-b']dithiophene","","- C22 H22 Cl2 S2 -","- C22 H22 Cl2 S2 -","- C176 H176 Cl16 S16 -","8","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","x-ray","1.54178","CuKα","","0.0751","0.0563","","","0.1627","0.1963","","","","","","1.061","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028128","6.946","0.001","7.72","0.001","9.057","0.001","90.861","0.006","89.656","0.006","98.724","0.005","479.99","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,7-dibutyl-1,6-dichloronaphtho[1,2-b:5,6-b']dithiophene","","- C11 H11 Cl S -","- C11 H11 Cl S -","- C22 H22 Cl2 S2 -","2","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","x-ray","1.54178","CuKα","","0.0313","0.0273","","","0.0716","0.0741","","","","","","1.081","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028129","5.291","0.001","7.714","0.001","12.239","0.001","99.618","0.007","94.426","0.007","102.384","0.008","477.73","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7-dibutyl-3,8-dichloronaphtho[2,1-b:6,5-b']dithiophene","","- C11 H11 Cl S -","- C11 H11 Cl S -","- C22 H22 Cl2 S2 -","2","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","","1.54178","CuKα","","0.0573","0.0406","","","0.097","0.1053","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028130","9.525","0.001","11.52","0.001","13.591","0.001","81.463","0.004","87.681","0.005","84.909","0.005","1468.4","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,9-dibutyl-3,8-bis(4-methoxyphenyl)naphtho[1,2-b:8,7-b']dithiophene","","- C36 H36 O2 S2 -","- C36 H36 O2 S2 -","- C72 H72 O4 S4 -","2","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","","1.54178","CuKα","","0.0772","0.0464","","","0.1061","0.1231","","","","","","1.032","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028131","10.689","0.001","14.404","0.001","19.076","0.001","98.344","0.003","90.87","0.003","91.061","0.003","2905","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7-dibutyl-1,6-bis(4-methoxyphenyl)naphtho[1,2-b:5,6-b']dithiophene","","- C36 H36 O2 S2 -","- C36 H36 O2 S2 -","- C144 H144 O8 S8 -","4","2","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","","1.54178","CuKα","","0.0757","0.0505","","","0.1198","0.136","","","","","","1.009","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028132","10.6882","0.0002","16.7476","0.0004","18.497","0.0013","90","","90","","90","","3311","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54187","CuKα","","0.1284","0.0847","","","0.2094","0.2388","","","","","","1.843","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028133","11.9745","0.0004","7.6299","0.0003","18.3877","0.0012","90","","93.153","0.007","90","","1677.44","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54187","CuKα","","0.1232","0.0797","","","0.1913","0.2391","","","","","","1.239","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028134","11.6836","0.0002","7.5379","0.0001","21.9834","0.0015","90","","99.688","0.007","90","","1908.46","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54187","CuKα","","0.0616","0.0478","","","0.1468","0.1735","","","","","","1.059","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028135","10.199","","22.476","","8.841","","90","","107.61","","90","","1931.67","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 N2 O3 -","- C20 H16 Br2 N2 O3 -","- C80 H64 Br8 N8 O12 -","4","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54178","CuKα","","0.0834","0.0639","","","0.1829","0.2189","","","","","","1.538","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028136","12.9118","0.0008","10.1696","0.0007","17.7957","0.0012","90","","92.797","0.001","90","","2333.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N3 O3 S -","- C27 H27 N3 O3 S -","- C108 H108 N12 O12 S4 -","4","1","","Andria M. Panagopoulos; Doug Steinman; Alexandra Goncharenko; Kyle Geary; Carlene Schleisman; Elizabeth Spaargaren; Matthias Zeller; Daniel P. Becker","Apparent Alkyl Transfer and Phenazine Formation via an Aryne Intermediate","Journal of Organic Chemistry","2013","78","","3532","3540","10.1021/jo302795w","","","0.71073","MoKα","","0.0527","0.0402","","","0.0988","0.1069","","","","","","1.042","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028137","13.439","0.003","10.26","0.002","13.653","0.003","90","","115.905","0.003","90","","1693.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N3 -","- C20 H20 Cl N3 -","- C80 H80 Cl4 N12 -","4","1","","Andria M. Panagopoulos; Doug Steinman; Alexandra Goncharenko; Kyle Geary; Carlene Schleisman; Elizabeth Spaargaren; Matthias Zeller; Daniel P. Becker","Apparent Alkyl Transfer and Phenazine Formation via an Aryne Intermediate","Journal of Organic Chemistry","2013","78","","3532","3540","10.1021/jo302795w","","","0.71073","MoKα","","0.1079","0.0586","","","0.1191","0.1383","","","","","","1.03","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028138","12.8268","0.0014","16.8384","0.0018","19.527","0.002","70.017","0.006","73.553","0.006","74.051","0.006","3726.5","0.7","160","2","160","2","","","","","","","","5","P -1","-P 1","2","CALIXARENE","","","- C82 H84 Cl6 N6 O4 -","- C82 H84 Cl6 N6 O4 -","- C164 H168 Cl12 N12 O8 -","2","1","","V. V. Sreenivasu Mummidivarapu; Vijaya Kumar Hinge; Khatija Tabbasum; Rajesh G. Gonnade; Chebrolu P. Rao","Triazole-Linked Anthracenyl-Appended Calix[4]arene Conjugate As Receptor for Co(II): Synthesis, Spectroscopy, Microscopy, and Computational Studies","Journal of Organic Chemistry","2013","78","","3570","3576","10.1021/jo400038x","","","0.71073","MoKα","","0.148","0.1034","","","0.2169","0.2368","","","","","","1.129","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028139","5.5387","0.0009","9.1358","0.0014","34.448","0.005","90","","90.723","0.002","90","","1742.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C84 H80 Cl4 N4 O8 -","4","1","","Thomas O. Painter; Jonathon R. Bunn; Frank J. Schoenen; Justin T. Douglas; Victor W. Day; Conrad Santini","Skeletal Diversification via Heteroatom Linkage Control: Preparation of Bicyclic and Spirocyclic Scaffolds from N-Substituted Homopropargyl Alcohols","Journal of Organic Chemistry","2013","78","","3720","3730","10.1021/jo400077m","","","1.54178","CuKα","","0.0344","0.0343","","","0.0845","0.0845","","","","","","1.034","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028140","8.3288","0.0017","9.3506","0.0019","33.517","0.007","90","","90","","90","","2610.3","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 F4 N3 O8 P S -","- C23 H28 F4 N3 O8 P S -","- C92 H112 F16 N12 O32 P4 S4 -","4","1","","Jonathan T. Reeves; Daniel R. Fandrick; Zhulin Tan; Jinhua J. Song; Sonia Rodriguez; Bo Qu; Soojin Kim; Oliver Niemeier; Zhibin Li; Denis Byrne; Scot Campbell; Ashish Chitroda; Phil DeCroos; Thomas Fachinger; Victor Fuchs; Nina C. Gonnella; Nelu Grinberg; Nizar Haddad; Burkhard Jäger; Heewon Lee; Jon C. Lorenz; Shengli Ma; Bikshandarkoil A. Narayanan; Larry J. Nummy; Ajith Premasiri; Frank Roschangar; Max Sarvestani; Sherry Shen; Earl Spinelli; Xiufeng Sun; Richard J. Varsolona; Nathan Yee; Michael Brenner; Chris H. Senanayake","Development of a Large Scale Asymmetric Synthesis of the Glucocorticoid Agonist BI 653048 BS H3PO4","Journal of Organic Chemistry","2013","78","","3616","3635","10.1021/jo400079z","","","1.54178","CuKα","","0.0358","0.0343","","","0.0802","0.0816","","","","","","1.107","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028141","7.2117","0.001","10.159","0.0015","16.885","0.002","90","","90","","90","","1237.1","0.3","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0314","0.0297","","","0.0839","0.0852","","","","","","1.091","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028142","12.793","0.002","7.5861","0.001","12.616","0.002","90","","94.795","0.005","90","","1220.1","0.3","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0519","0.0413","","","0.1059","0.1122","","","","","","1.044","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028143","8.8087","0.0009","9.1805","0.001","16.007","0.002","90","","102.879","0.005","90","","1261.9","0.2","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0482","0.0401","","","0.1138","0.1208","","","","","","1.047","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028144","11.0615","0.0015","8.4714","0.001","13.82","0.002","90","","108.144","0.005","90","","1230.6","0.3","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0476","0.0386","","","0.113","0.12","","","","","","1.044","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028145","8.774","0.001","8.8629","0.001","16.001","0.002","90","","94.81","0.005","90","","1239.9","0.3","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0464","0.0392","","","0.1137","0.1203","","","","","","1.054","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028146","17.454","0.005","5.917","0.002","13.841","0.005","90","","90","","90","","1429.4","0.8","90","0.5","90","0.5","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0418","0.0376","","","0.0932","0.0963","","","","","","1.037","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028147","16.783","0.002","16.484","0.003","8.9999","0.001","90","","90","","90","","2489.8","0.6","90","0.5","90","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","2","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0359","0.0308","","","0.0777","0.0806","","","","","","1.043","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028148","14.187","0.004","7.762","0.002","22.998","0.006","90","","103.422","0.015","90","","2463.4","1.1","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.077","0.056","","","0.1411","0.154","","","","","","1.045","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028149","8.8582","0.0016","8.4797","0.0015","32.907","0.006","90","","90.782","0.003","90","","2471.6","0.8","180","0.5","180","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.1094","0.0505","","","0.0944","0.1144","","","","","","0.995","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028150","8.0955","0.001","5.7255","0.0006","14.7233","0.0015","90","","90.723","0.005","90","","682.38","0.13","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0344","0.0327","","","0.0909","0.0934","","","","","","1.087","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028151","6.063","0.002","25.888","0.009","23.133","0.007","90","","95.663","0.01","90","","3613","2","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C156 H180 N12 O24 -","12","3","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","1.54184","CuKα","","0.1132","0.0528","","","0.097","0.1171","","","","","","0.992","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028152","14.9885","0.0005","7.1279","0.0002","16.1273","0.0005","90","","96.305","0.002","90","","1712.56","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 F2 N O6 P -","- C15 H18 F2 N O6 P -","- C60 H72 F8 N4 O24 P4 -","4","1","","Romana Pajkert; Gerd-Volker Röschenthaler","Synthesis of (α,α-Difluoropropargyl)phosphonates via Aldehyde-to-Alkyne Homologation","Journal of Organic Chemistry","2013","78","","3697","3708","10.1021/jo400198a","","","0.71073","MoKα","","0.0466","0.0381","","","0.1018","0.1081","","","","","","1.021","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028153","19.4022","0.0008","8.942","0.0004","14.2378","0.0006","90","","93.347","0.001","90","","2465.97","0.18","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H31 N O3 S Si -","- C26 H31 N O3 S Si -","- C104 H124 N4 O12 S4 Si4 -","4","1","","Francois Grillet; Kay M. Brummond","Enantioselective Synthesis of 5,7-Bicyclic Ring Systems from Axially Chiral Allenes Using a Rh(I)-Catalyzed Cyclocarbonylation Reaction","Journal of Organic Chemistry","2013","78","","3737","3754","10.1021/jo4002432","","","1.54178","CuKα","","0.1345","0.134","","","0.3943","0.3947","","","","","","4.123","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028154","20.059","0.0005","34.2353","0.0008","9.2333","0.0002","90","","90","","90","","6340.7","0.3","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C272 H304 N16 O48 S16 -","16","1","","Francois Grillet; Kay M. Brummond","Enantioselective Synthesis of 5,7-Bicyclic Ring Systems from Axially Chiral Allenes Using a Rh(I)-Catalyzed Cyclocarbonylation Reaction","Journal of Organic Chemistry","2013","78","","3737","3754","10.1021/jo4002432","","","1.54178","CuKα","","0.0394","0.0379","","","0.0948","0.0967","","","","","","1.104","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028155","23.8895","0.0015","9.8805","0.0006","30.8596","0.0019","90","","90","","90","","7284.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N O -","- C25 H19 N O -","- C400 H304 N16 O16 -","16","2","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0366","0.0307","","","0.0771","0.0818","","","","","","1.03","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028156","12.5171","0.0003","9.7324","0.0002","17.7685","0.0004","90","","101.031","0.001","90","","2124.59","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0316","0.0297","","","0.0738","0.0752","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028157","8.106","0.0002","5.947","0.0002","19.389","0.0005","90","","101.38","0.001","90","","916.3","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0275","0.0272","","","0.0725","0.0728","","","","","","1.057","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028158","9.7537","0.0003","9.8726","0.0003","11.2156","0.0003","74.131","0.001","81.614","0.001","61.63","0.002","913.91","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O -","- C26 H21 N O -","- C52 H42 N2 O2 -","2","1","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0666","0.0592","","","0.1776","0.1828","","","","","","1.135","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028159","7.5759","0.0003","6.6953","0.0003","19.3769","0.001","90","","96.532","0.005","90","","976.47","0.08","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N5 -","- C11 H13 N5 -","- C44 H52 N20 -","4","0.5","","Joanna V. Geden; Alpa K. Pancholi; Michael Shipman","Palladium-Catalyzed Multicomponent Synthesis of 2-Aryl-2-imidazolines from Aryl Halides and Diamines","Journal of Organic Chemistry","2013","78","","4158","4164","10.1021/jo400252n","","","0.71073","MoKα","","0.0786","0.064","","","0.1586","0.1701","","","","","","1.105","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028160","6.9339","0.0007","7.4506","0.0007","12.9466","0.0013","90","","90.3446","0.0013","90","","668.83","0.11","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C28 H32 O12 -","2","1","","Fumiya Urabe; Shunsuke Nagashima; Keisuke Takahashi; Jun Ishihara; Susumi Hatakeyama","Total Synthesis of (-)-Cinatrin C1 Based on an In(OTf)3-Catalyzed Conia-Ene Reaction","Journal of Organic Chemistry","2013","78","","3847","3857","10.1021/jo400263w","","","0.7107","MoKα","","","0.0346","","","","0.0871","","","","","","0.896","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028161","13.0314","0.0003","19.7442","0.0006","13.2272","0.0003","90","","116.922","0.001","90","","3034.45","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H86 O10 S Si8 -","- C36 H86 O10 S Si8 -","- C72 H172 O20 S2 Si16 -","2","1","","Xiaojun Zeng; Raymond Smith; Xiangming Zhu","Synthesis of Thioglycoside Analogues of Maradolipid","Journal of Organic Chemistry","2013","78","","4165","4170","10.1021/jo400274s","","","0.71073","MoKα","","0.1575","0.099","","","0.2428","0.2589","","","","","","1.682","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028162","11.5576","0.0003","7.9815","0.0002","20.4407","0.0004","90","","105.625","0.002","90","","1815.91","0.08","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","4-Diethoxyphosphinyl-5-trifluoromethyl-1- (4-nitrophenyl)pyrrolidin-2-one","","- C15 H18 F3 N2 O6 P -","- C15 H18 F3 N2 O6 P -","- C60 H72 F12 N8 O24 P4 -","4","1","","Concepción Alonso; María González; María Fuertes; Gloria Rubiales; Jose María Ezpeleta; Francisco Palacios","Synthesis of Fluorinated β-Aminophosphonates and γ-Lactams","Journal of Organic Chemistry","2013","78","","3858","3866","10.1021/jo400281e","","x-ray","1.54184","CuKα","","0.0371","0.0301","","","0.0796","0.0855","","","","","","1.019","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028163","11.6857","0.0006","9.9337","0.0004","18.5976","0.0012","90","","90.895","0.006","90","","2158.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 3-diethoxyphosphinyl-5,5,5-trifluoro-4- (4-tolylamino)pentanoate","","- C18 H27 F3 N O5 P -","- C18 H27 F3 N O5 P -","- C72 H108 F12 N4 O20 P4 -","4","1","","Concepción Alonso; María González; María Fuertes; Gloria Rubiales; Jose María Ezpeleta; Francisco Palacios","Synthesis of Fluorinated β-Aminophosphonates and γ-Lactams","Journal of Organic Chemistry","2013","78","","3858","3866","10.1021/jo400281e","","","1.54184","CuKα","","0.0397","0.0362","","","0.094","0.0965","","","","","","1.038","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028164","9.493","0.005","13.546","0.005","30.223","0.005","90","","95.322","0.005","90","","3870","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O4 S -","- C22 H21 N O4 S -","- C176 H168 N8 O32 S8 -","8","2","","Manas K. Ghorai; Y. Nanaji","Synthetic Route to Chiral Indolines via Ring-Opening/C-N Cyclization of Activated 2-Haloarylaziridines","Journal of Organic Chemistry","2013","78","","3867","3878","10.1021/jo400287a","","","0.71073","MoKα","","0.0788","0.0539","","","0.1336","0.1735","","","","","","1.095","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028165","12.504","0.005","11.315","0.005","13.623","0.005","90","0.005","105.513","0.005","90","0.005","1857.2","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl F N2 O2 S -","- C21 H18 Cl F N2 O2 S -","- C84 H72 Cl4 F4 N8 O8 S4 -","4","1","","Manas K. Ghorai; Y. Nanaji","Synthetic Route to Chiral Indolines via Ring-Opening/C-N Cyclization of Activated 2-Haloarylaziridines","Journal of Organic Chemistry","2013","78","","3867","3878","10.1021/jo400287a","","","0.71073","MoKα","","0.0921","0.0593","","","0.1549","0.2129","","","","","","1.17","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028166","8.161","0.005","9.101","0.005","25.376","0.005","90","0.005","90.125","0.005","90","0.005","1884.8","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 S2 -","- C22 H21 N O2 S2 -","- C88 H84 N4 O8 S8 -","4","1","","Manas K. Ghorai; Y. Nanaji","Synthetic Route to Chiral Indolines via Ring-Opening/C-N Cyclization of Activated 2-Haloarylaziridines","Journal of Organic Chemistry","2013","78","","3867","3878","10.1021/jo400287a","","","0.71073","MoKα","","0.0591","0.049","","","0.1268","0.1362","","","","","","1.057","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028167","9.679","0.006","9.166","0.005","16.543","0.01","90","","98.455","0.015","90","","1451.7","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","1.54178","CuKα","","0.0875","0.0766","","","0.1993","0.23","","","","","","0.954","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028168","28.023","0.013","5.984","0.003","18.353","0.009","90","","122.001","0.009","90","","2610","2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","1.54187","CuKα","","","0.065","","","","0.1676","","","","","","1.083","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028169","5.954","0.017","8.03","0.03","15.54","0.04","90","","96.65","0.04","90","","738","4","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Br N O2 -","- C16 H14 Br N O2 -","- C32 H28 Br2 N2 O4 -","2","1","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","0.71075","MoKα","","","0.055","","","","0.1175","","","","","","0.927","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028170","6.379","0.002","13.342","0.005","15.871","0.005","90","","90","","90","","1350.8","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","0.71075","MoKα","","","0.0453","","","","0.1088","","","","","","1.039","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028171","6.054","0.0013","15.744","0.003","18.136","0.004","90","","90","","90","","1728.6","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O S -","- C19 H23 N O S -","- C76 H92 N4 O4 S4 -","4","1","","Suresh Pindi; Jianbin Wu; Guigen Li","Design, Synthesis, and Applications of Chiral N-2-Phenyl-2-propyl Sulfinyl Imines for Group-Assisted Purification (GAP) Asymmetric Synthesis","Journal of Organic Chemistry","2013","78","","4006","4012","10.1021/jo400354r","","","0.71073","MoKα","","0.0462","0.0344","","","0.0742","0.0804","","","","","","1.018","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028172","6.7751","0.0013","7.1451","0.0013","8.7889","0.0016","76.749","0.002","76.821","0.002","83.472","0.003","402.38","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C16 H18 N6 O2 -","2","1","","Yu-Chiao Shih; Ya-Ying Yang; Chun-Chi Lin; Tun-Cheng Chien","Synthesis of 6-Alkyluridines from 6-Cyanouridine via Zinc(II) Chloride-Catalyzed Nucleophilic Substitution with Alkyl Grignard Reagents","Journal of Organic Chemistry","2013","78","","4027","4036","10.1021/jo400364p","","","0.71073","MoKα","","0.1242","0.1088","","","0.3069","0.3292","","","","","","1.248","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028173","8.0425","0.0012","11.1181","0.0018","16.194","0.002","90","","90","","90","","1448","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O6 -","- C13 H20 N2 O6 -","- C52 H80 N8 O24 -","4","1","","Yu-Chiao Shih; Ya-Ying Yang; Chun-Chi Lin; Tun-Cheng Chien","Synthesis of 6-Alkyluridines from 6-Cyanouridine via Zinc(II) Chloride-Catalyzed Nucleophilic Substitution with Alkyl Grignard Reagents","Journal of Organic Chemistry","2013","78","","4027","4036","10.1021/jo400364p","","","0.71073","MoKα","","0.0369","0.0336","","","0.0911","0.0934","","","","","","1.085","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028174","7.342","0.0007","6.2293","0.0006","19.9999","0.0014","90","","99.698","0.006","90","","901.63","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 F3 N2 O2 -","- C9 H5 F3 N2 O2 -","- C36 H20 F12 N8 O8 -","4","1","","Robert S. Foster; Harry Adams; Harald Jakobi; Joseph P. A. Harrity","Synthesis of 4-Fluoromethylsydnones and their Participation in Alkyne Cycloaddition Reactions","Journal of Organic Chemistry","2013","78","","4049","4064","10.1021/jo400381a","","","0.71073","MoKα","","0.0566","0.042","","","0.1231","0.1551","","","","","","1.12","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028175","7.0878","0.0007","6.147","0.0006","19.9237","0.0019","90","","98.92","0.005","90","","857.55","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 N2 O2 -","- C9 H6 F2 N2 O2 -","- C36 H24 F8 N8 O8 -","4","1","","Robert S. Foster; Harry Adams; Harald Jakobi; Joseph P. A. Harrity","Synthesis of 4-Fluoromethylsydnones and their Participation in Alkyne Cycloaddition Reactions","Journal of Organic Chemistry","2013","78","","4049","4064","10.1021/jo400381a","","","0.71073","MoKα","","0.0428","0.0376","","","0.1085","0.1136","","","","","","1.077","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028176","9.65","0.005","12.429","0.007","14.078","0.007","90","","90","","90","","1688.5","1.5","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C72 H80 Br4 N4 O4 -","4","1","","Jérémie Mandel; Xiaohong Pan; E. Ben Hay; Steven J. Geib; Craig S. Wilcox; Dennis P. Curran","Rotational Isomers of N-Methyl-N-arylacetamides and Their Derived Enolates: Implications for Asymmetric Hartwig Oxindole Cyclizations","Journal of Organic Chemistry","2013","78","","4083","4089","10.1021/jo400385t","","","0.71073","MoKα","","0.1126","0.0515","","","0.1301","0.1637","","","","","","0.944","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028177","13.4116","0.0004","9.9944","0.0003","19.195","0.0006","90","","93.348","0.002","90","","2568.52","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O6 S -","- C28 H25 N O6 S -","- C112 H100 N4 O24 S4 -","4","1","","Xiaoyi Xin; Dongping Wang; Fan Wu; Xincheng Li; Boshun Wan","Cyclization and N-Iodosuccinimide-Induced Electrophilic Iodocyclization of 3-Aza-1,5-enynes To Synthesize 1,2-Dihydropyridines and 3-Iodo-1,2-dihydropyridines","Journal of Organic Chemistry","2013","78","","4065","4074","10.1021/jo400387b","","","0.71073","MoKα","","0.0927","0.0768","","","0.2145","0.2297","","","","","","1.093","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028178","9.6086","0.0004","11.3986","0.0005","14.7124","0.0006","89.194","0.003","83.704","0.003","73.888","0.003","1538.51","0.12","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H24 I N O6 S -","- C28 H24 I N O6 S -","- C56 H48 I2 N2 O12 S2 -","2","2","","Xiaoyi Xin; Dongping Wang; Fan Wu; Xincheng Li; Boshun Wan","Cyclization and N-Iodosuccinimide-Induced Electrophilic Iodocyclization of 3-Aza-1,5-enynes To Synthesize 1,2-Dihydropyridines and 3-Iodo-1,2-dihydropyridines","Journal of Organic Chemistry","2013","78","","4065","4074","10.1021/jo400387b","","","0.71073","MoKα","","0.0698","0.0509","","","0.1646","0.1811","","","","","","1.059","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028179","8.379","0.0001","9.797","0.0001","12.862","0.0002","90","","90","","90","","1055.83","0.02","123","1","123","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","1","","Kathrin Ulbrich; Peter Kreitmeier; Tirayut Vilaivan; Oliver Reiser","Enantioselective Synthesis of 4-Heterosubstituted Cyclopentenones","Journal of Organic Chemistry","2013","78","","4202","4206","10.1021/jo400409f","","x-ray","1.54178","CuKα","","0.0325","0.032","","","0.0829","0.0837","","","","","","1.051","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028180","8.2414","0.0002","9.3417","0.0003","9.8011","0.0008","94.71","0.006","114.659","0.004","105.507","0.005","644.44","0.07","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C14 H13 I O3 -","- C14 H13 I O3 -","- C28 H26 I2 O6 -","2","2","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.017","0.0163","","0.0387","0.0374","0.0374","","","","","","1.0585","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028181","11.4401","0.0004","17.2638","0.0006","20.1815","0.0014","103.013","0.007","106.063","0.008","108.802","0.008","3402.5","0.5","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C17.25 H21 I O3.75 -","- C17.25 H21 I O3.75 -","- C138 H168 I8 O30 -","8","4","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.0502","0.041","","0.0961","0.0874","0.0961","","","","","","0.9749","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028182","10.1587","0.0004","17.6882","0.001","20.1886","0.0014","90","","90.879","0.006","90","","3627.2","0.4","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 I O2 -","- C14 H11 I O2 -","- C168 H132 I12 O24 -","12","3","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.044","0.0363","","0.0572","0.0544","0.0572","","","","","","1.072","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028183","11.6678","0.0014","11.6678","0.0014","9.4235","0.0006","90","","90","","120","","1111","0.2","123","","123","","","","","","","","","4","P 31","P 31","144","","","","- C16 H15 I O2 -","- C16 H15 I O2 -","- C48 H45 I3 O6 -","3","1","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.0876","0.0446","","0.0921","0.068","0.0921","","","","","","0.9816","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028184","7.829","0.001","15.32","0.002","15.181","0.002","90","","90.62","0.02","90","","1820.7","0.4","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F3 O3 -","- C8 H7 F3 O3 -","- C64 H56 F24 O24 -","8","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0674","0.0321","","","0.0782","0.0852","","","","","","0.627","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028185","12.796","0.003","8.726","0.001","25.901","0.004","90","","94.74","0.04","90","","2882.2","0.9","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F3 O4 -","- C14 H15 F3 O4 -","- C112 H120 F24 O32 -","8","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0785","0.0522","","","0.1506","0.1608","","","","","","0.959","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028186","35.009","0.003","8.927","0.0009","11.884","0.0012","90","","97.76","0.02","90","","3680","0.6","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl F3 O4 -","- C19 H13 Cl F3 O4 -","- C152 H104 Cl8 F24 O32 -","8","1","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0562","0.0448","","","0.1271","0.1322","","","","","","0.987","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028187","14.4108","0.0014","30.084","0.003","8.6468","0.0008","90","","91.909","0.005","90","","3746.6","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F6 O8 -","- C16 H14 F6 O8 -","- C128 H112 F48 O64 -","8","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0534","0.0485","","","0.1272","0.1313","","","","","","1.047","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028188","7.14","0.0006","13.023","0.001","19.251","0.001","82.6","0.01","81.95","0.01","83.43","0.01","1749.2","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl F3 O4 -","- C18 H14 Cl F3 O4 -","- C72 H56 Cl4 F12 O16 -","4","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0651","0.0344","","","0.074","0.0788","","","","","","0.766","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028189","5.3049","0.0017","12.08","0.004","17.045","0.005","90","","94.079","0.004","90","","1089.5","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H21 F2 N O S2 -","- C23 H21 F2 N O S2 -","- C46 H42 F4 N2 O2 S4 -","2","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.0601","0.0428","","","0.0812","0.0898","","","","","","1.047","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028190","5.162","0.003","8.413","0.005","37.3","0.02","90","","90","","90","","1619.9","1.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F3 N O2 -","- C17 H16 F3 N O2 -","- C68 H64 F12 N4 O8 -","4","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.11","0.0816","","","0.2457","0.2744","","","","","","1.105","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028191","8.247","0.003","5.0946","0.0016","14.235","0.005","90","","100.136","0.004","90","","588.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 F3 N O2 -","- C11 H12 F3 N O2 -","- C22 H24 F6 N2 O4 -","2","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.0741","0.0554","","","0.1429","0.1598","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028192","15.761","0.003","12.379","0.002","12.96","0.003","90","","102.904","0.004","90","","2464.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cl N2 O5 -","- C27 H21 Cl N2 O5 -","- C108 H84 Cl4 N8 O20 -","4","1","","Chun-Bao Miao; Chun-Ping Dong; Min Zhang; Wen-Long Ren; Qi Meng; Xiao-Qiang Sun; Hai-Tao Yang","Highly Stereoselective, One-Pot Synthesis of Azetidines and 2,4-Dioxo-1,3-diazabicyclo[3.2.0] Compounds Mediated by I2","Journal of Organic Chemistry","2013","78","","4329","4340","10.1021/jo400181r","","","0.71073","MoKα","","0.0885","0.0529","","","0.1321","0.1478","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028193","10.0187","0.0015","11.4254","0.0016","13.785","0.003","105.439","0.004","93.916","0.004","115.678","0.003","1339.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 Cl N2 O6 -","- C27 H19 Cl N2 O6 -","- C54 H38 Cl2 N4 O12 -","2","1","","Chun-Bao Miao; Chun-Ping Dong; Min Zhang; Wen-Long Ren; Qi Meng; Xiao-Qiang Sun; Hai-Tao Yang","Highly Stereoselective, One-Pot Synthesis of Azetidines and 2,4-Dioxo-1,3-diazabicyclo[3.2.0] Compounds Mediated by I2","Journal of Organic Chemistry","2013","78","","4329","4340","10.1021/jo400181r","","","0.71073","MoKα","","0.1081","0.0898","","","0.2906","0.3259","","","","","","0.902","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028194","8.6536","0.0008","11.2113","0.001","23.211","0.002","90","","90","","90","","2251.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","","Chun-Bao Miao; Chun-Ping Dong; Min Zhang; Wen-Long Ren; Qi Meng; Xiao-Qiang Sun; Hai-Tao Yang","Highly Stereoselective, One-Pot Synthesis of Azetidines and 2,4-Dioxo-1,3-diazabicyclo[3.2.0] Compounds Mediated by I2","Journal of Organic Chemistry","2013","78","","4329","4340","10.1021/jo400181r","","","0.71073","MoKα","","0.0724","0.0453","","","0.1129","0.1297","","","","","","0.984","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028195","6.5595","0.0001","13.8801","0.0003","15.4276","0.0003","90","","90","","90","","1404.63","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","meropenem","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Xun Ji; Yu Zhou; Jinfang Wang; Linxiang Zhao; Hualiang Jiang; Hong Liu","Au(I)/Ag(I)-Catalyzed Cascade Approach for the Synthesis of Benzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a]quinazolinones","Journal of Organic Chemistry","2013","78","","4312","4318","10.1021/jo400228g","","","0.71073","MoKα","","0.0379","0.0335","","","0.0774","0.0793","","","","","","1.351","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028196","10.01","0.003","10.641","0.005","10.743","0.003","83.155","0.007","75.634","0.005","62.657","0.004","984.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C52 H40 N4 O2 -","2","1","","Na An; Bo-Xue Tian; Hong-Jun Pi; Leif A. Eriksson; Wei-Ping Deng","Mechanistic Insight into Self-Propagation of Organo-Mediated Beckmann Rearrangement: A Combined Experimental and Computational Study","Journal of Organic Chemistry","2013","78","","4297","4302","10.1021/jo400278c","","","0.71073","MoKα","","0.1215","0.0691","","","0.1679","0.189","","","","","","0.869","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028197","10.922","0.003","20.287","0.006","9.3","0.003","90","","97.478","0.004","90","","2043.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","1","","Na An; Bo-Xue Tian; Hong-Jun Pi; Leif A. Eriksson; Wei-Ping Deng","Mechanistic Insight into Self-Propagation of Organo-Mediated Beckmann Rearrangement: A Combined Experimental and Computational Study","Journal of Organic Chemistry","2013","78","","4297","4302","10.1021/jo400278c","","","0.71073","MoKα","","0.0733","0.0376","","","0.0802","0.0908","","","","","","0.811","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028198","7.6866","0.0005","18.4249","0.0011","13.3065","0.0008","90","","96.761","0.003","90","","1871.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 N3 O3 -","- C20 H27 N3 O3 -","- C80 H108 N12 O12 -","4","1","","Jhonny Azuaje; Abdelaziz El Maatougui; José M. Pérez-Rubio; Alberto Coelho; Franco Fernández; Eddy Sotelo","Multicomponent Assembly of Diverse Pyrazin-2(1H)-one Chemotypes","Journal of Organic Chemistry","2013","78","","4402","4409","10.1021/jo4003163","","x-ray","0.7107","MoKα","","0.0503","0.0381","","","0.0829","0.0885","","","","","","1.032","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028199","16.5731","0.0004","6.5305","0.0002","31.5251","0.0008","90","","94.15","0.002","90","","3403.04","0.16","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","4","","Mukulesh Mondal; Han-Jen Ho; Nicholas J. Peraino; Melanie A. Gary; Kraig A. Wheeler; Nessan J. Kerrigan","Diastereoselective Reaction of Sulfoxonium Ylides, Aldehydes and Ketenes: An Approach to trans-γ-Lactones","Journal of Organic Chemistry","2013","78","","4587","4593","10.1021/jo4003213","","","1.54178","CuKα","","0.104","0.0692","","","0.1561","0.175","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028200","7.9199","0.0006","22.3821","0.0018","15.455","0.0012","90","","102.289","0.001","90","","2676.8","0.4","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 N2 O2 S Si -","- C25 H40 N2 O2 S Si -","- C100 H160 N8 O8 S4 Si4 -","4","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0448","0.0384","","","0.1292","0.1381","","","","","","1.123","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028201","13.1622","0.0012","14.1592","0.0012","15.1685","0.0014","90","","90","","90","","2826.9","0.4","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H44 N2 O2 S Si -","- C27 H44 N2 O2 S Si -","- C108 H176 N8 O8 S4 Si4 -","4","2","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.031","0.0293","","","0.0942","0.0976","","","","","","0.86","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028202","15.241","0.0011","12.5664","0.001","16.0205","0.0012","90","","114.207","0.001","90","","2798.5","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O2 S Si -","- C30 H34 N2 O2 S Si -","- C120 H136 N8 O8 S4 Si4 -","4","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0403","0.034","","","0.1061","0.1169","","","","","","0.811","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028203","24.381","0.006","7.698","0.002","15.28","0.004","90","","96.687","0.004","90","","2848.3","1.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 N2 O2 S Si -","- C28 H44 N2 O2 S Si -","- C112 H176 N8 O8 S4 Si4 -","4","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.1094","0.0708","","","0.1776","0.21","","","","","","1.316","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028204","8.1578","0.0008","9.771","0.001","11.2573","0.0011","99.109","0.001","94.865","0.001","97.709","0.001","872.82","0.15","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N2 O2 S -","- C19 H24 N2 O2 S -","- C38 H48 N4 O4 S2 -","2","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0416","0.0382","","","0.1394","0.1439","","","","","","1.217","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028205","11.6475","0.0011","18.532","0.0018","23.269","0.002","90","","92.298","0.001","90","","5018.6","0.8","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N O5 S2 Si2 -","- C23 H36 N2 O2 S Si -","- C184 H288 N16 O16 S8 Si8 -","8","2","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.1073","0.0513","","","0.1357","0.1792","","","","","","0.928","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028206","12.3322","0.0011","15.5794","0.0014","15.9936","0.0014","114.611","0.001","106.319","0.001","98.457","0.001","2555.4","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H38 N2 O2 S Si -","- C25 H38 N2 O2 S Si -","- C100 H152 N8 O8 S4 Si4 -","4","2","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0836","0.0505","","","0.132","0.1662","","","","","","0.966","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028207","11.5254","0.0003","11.2153","0.0003","12.6004","0.0004","90","","101.352","0.001","90","","1596.87","0.08","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F N3 O2 -","- C19 H13 B F N3 O2 -","- C76 H52 B4 F4 N12 O8 -","4","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.71073","MoKα","","0.0706","0.0564","","","0.1276","0.138","","","","","","1.091","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028208","7.647","0.006","21.859","0.015","11.074","0.01","90","","94.778","0.011","90","","1845","3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 B F N3 O4 -","- C21 H17 B F N3 O4 -","- C84 H68 B4 F4 N12 O16 -","4","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.7107","MoKα","","0.0485","0.036","","","0.1169","0.1584","","","","","","1.179","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028209","9.698","0.009","21.38","0.04","10.808","0.014","90","","104.7","0.04","90","","2168","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B N5 -","- C27 H24 B N5 -","- C108 H96 B4 N20 -","4","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.7107","MoKα","","0.0577","0.0442","","","0.1247","0.1525","","","","","","1.206","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028210","21.589","0.003","21.589","0.003","26.933","0.003","90","","90","","120","","10871","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C25 H34 B N5 O -","- C25 H34 B N5 O -","- C450 H612 B18 N90 O18 -","18","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.7107","MoKα","","0.0656","0.0576","","","0.1306","0.1358","","","","","","1.107","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028211","8.448","0.001","11.579","0.003","14.093","0.004","94.74","0.01","102.62","0.02","90.301","0.007","1340.3","0.5","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C29 H25 B F2 O6 -","- C29 H25 B F2 O6 -","- C58 H50 B2 F4 O12 -","2","1","","Abdellah Felouat; Anthony D'Aléo; Fredéric Fages","Synthesis and Photophysical Properties of Difluoroboron Complexes of Curcuminoid Derivatives Bearing Different Terminal Aromatic Units and a meso-Aryl Ring","Journal of Organic Chemistry","2013","78","","4446","4455","10.1021/jo400389h","","x-ray","0.71073","MoKα","","0.1687","0.0831","","","0.2305","0.309","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028212","10.5885","0.0007","12.0366","0.0005","16.3904","0.001","90","","96.405","0.006","90","","2075.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Br N2 O -","- C24 H21 Br N2 O -","- C96 H84 Br4 N8 O4 -","4","1","","Akhilesh K. Verma; Siva K. Reddy Kotla; Deepak Choudhary; Monika Patel; Rakesh K. Tiwari","Silver-Catalyzed Tandem Synthesis of Naphthyridines and Thienopyridines via Three-Component Reaction","Journal of Organic Chemistry","2013","78","","4386","4401","10.1021/jo400400c","","","0.71073","MoKα","","0.1038","0.0585","","","0.1428","0.1657","","","","","","0.999","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028213","9.822","0.002","9.849","0.002","10.995","0.003","95.962","0.004","112.616","0.004","106.985","0.004","910.4","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","1","1","","Ken S. Feldman; Brandon R. Selfridge","Synthesis Studies on the Lomaiviticin A Aglycone Core: Development of a Divergent, Two-Directional Strategy","Journal of Organic Chemistry","2013","78","","4499","4511","10.1021/jo4005074","","","0.71073","MoKα","","0.0438","0.0407","","","0.1067","0.1099","","","","","","1.027","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028214","13.13","0.005","8.462","0.002","18.001","0.004","90","","94.05","0.016","90","","1995","1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Ken S. Feldman; Brandon R. Selfridge","Synthesis Studies on the Lomaiviticin A Aglycone Core: Development of a Divergent, Two-Directional Strategy","Journal of Organic Chemistry","2013","78","","4499","4511","10.1021/jo4005074","","","0.71073","MoKα","","0.0801","0.0588","","","0.1507","0.1656","","","","","","1.012","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028215","21.5297","0.0004","12.2669","0.0003","18.5384","0.0004","90","","95.2","0.001","90","","4875.89","0.18","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N4 O15 P2 -","- C46 H36 N4 O12 P2 -","- C184 H144 N16 O48 P8 -","4","1","","Tyler T. Adint; Gene W. Wong; Clark R. Landis","Libraries of Bisdiazaphospholanes and Optimization of Rhodium-Catalyzed Enantioselective Hydroformylation","Journal of Organic Chemistry","2013","78","","4231","4238","10.1021/jo400525w","","","1.54178","Cu-Kα","","0.0531","0.0512","","","0.1375","0.1392","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028216","8.1744","0.0014","8.2642","0.0014","11.2317","0.0019","87.925","0.002","77.109","0.002","80.284","0.002","729","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","","Hilan Z. Kaplan; Victor L. Rendina; Jason S. Kingsbury","Diastereoselective Synthesis of Complex cis-Hexahydroindanes by Reductive Alkylation","Journal of Organic Chemistry","2013","78","","4620","4626","10.1021/jo400670y","","","0.71073","MoKα","","0.0538","0.0459","","","0.1143","0.1199","","","","","","1.03","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028217","15.099","0.003","9.3135","0.0014","18.43","0.002","90","","90","","90","","2591.7","0.7","190","","190","","","","101","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 F O6 P S -","- C26 H28 F O6 P S -","- C104 H112 F4 O24 P4 S4 -","4","1","","Stanislav Opekar; Radek Pohl; Václav Eigner; Petr Beier","Conjugate Addition of Diethyl 1-Fluoro-1-phenylsulfonylmethanephosphonate to α,β-Unsaturated Compounds","Journal of Organic Chemistry","2013","78","","4573","4579","10.1021/jo400297f","","","1.54184","CuKα","","0.1099","0.1032","","0.112","0.106","0.106","","","","","","0.9328","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028218","32.735","0.002","5.544","0.0003","22.2598","0.0015","90","","96.912","0.005","90","","4010.4","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cl6 N6 O2 S4 -","- C36 H34 Cl6 N6 O2 S4 -","- C144 H136 Cl24 N24 O8 S16 -","4","0.5","","Roya Esmaili; Davood Nematollahi","Electrochemical Method for the Synthesis of Disulfides of 2-(Benzo[d]thiazol(or oxazol)-2-ylamino)-5-morpholinobenzenethiol","Journal of Organic Chemistry","2013","78","","5018","5021","10.1021/jo302647r","","","0.71073","MoKα","","0.1382","0.0831","","","0.1584","0.1748","","","","","","1.047","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028219","12.0523","0.0011","7.62","0.0007","19.0289","0.0019","90","","90","","90","","1747.6","0.3","296","2","296","2","","","","","","","total synthesis","4","P b c a","-P 2ac 2ab","61","Caulibugulone A","7-(methylamino)isoquinoline-5,8-dione","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C80 H64 N16 O16 -","8","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","","0.71073","MoKα","","0.0559","0.0456","","","0.1161","0.1242","","","","","","1.156","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028220","10.882","0.0008","7.6896","0.0006","11.7402","0.0009","90","","105.997","0.002","90","","944.36","0.12","296","2","296","2","","","","","","","total synthesis","5","P 1 21/n 1","-P 2yn","14","caulibugulone B","6-bromo-7-(methylamino)isoquinoline-5,8-dione","","- C10 H7 Br N2 O2 -","- C10 H7 Br N2 O2 -","- C40 H28 Br4 N8 O8 -","4","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","x-ray","0.71073","MoKα","","0.0493","0.028","","","0.0673","0.0756","","","","","","0.925","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028221","5.3738","0.0004","5.4329","0.0004","16.3535","0.0012","90","","95.509","0.002","90","","475.24","0.06","296","2","296","2","","","","","","","total synthesis","5","P 1 21 1","P 2yb","4","caulibugulone C","6-chloro-7-(methylamino)isoquinoline-5,8-dione","","- C10 H7 Cl N2 O2 -","- C10 H7 Cl N2 O2 -","- C20 H14 Cl2 N4 O4 -","2","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","","0.71073","MoKα","","0.0593","0.0387","","","0.1144","0.1442","","","","","","0.851","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028222","7.1713","0.0004","11.2608","0.0008","15.5138","0.0009","90","","99.538","0.006","90","","1235.49","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N O4 -","- C14 H12 N O4 -","- C56 H48 N4 O16 -","4","1","","R. Santhosh Reddy; Pragati K Prasad; Brij Bhushan Ahuja; Arumugam Sudalai","CuCN-Mediated Cascade Cyclization of 4-(2-Bromophenyl)-2-butenoates: A High-Yield Synthesis of Substituted Naphthalene Amino Esters","Journal of Organic Chemistry","2013","78","","5045","5050","10.1021/jo400244h","","","0.71073","MoKα","","0.093","0.068","","","0.2185","0.2476","","","","","","1.434","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028223","6.713","0.002","11.072","0.003","14.727","0.005","98.113","0.004","101.22","0.004","91.799","0.004","1061","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N6 O3 -","- C23 H22 N6 O3 -","- C46 H44 N12 O6 -","2","1","","Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Fused Polycyclic Compounds via Cycloaddition of 4-(1'-Cyclohexenyl)-5-iodo-1,2,3-triazoles with 4-Phenyl-1,2,4-triazoline-3,5-dione: The Importance of a Sacrificial Iodide Leaving Group","Journal of Organic Chemistry","2013","78","","5038","5044","10.1021/jo400271j","","","0.71073","MoKα","","0.0593","0.0482","","","0.1219","0.1309","","","","","","1.038","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028224","7.4079","0.0004","16.7358","0.0009","18.8282","0.0011","90","","100.142","0.001","90","","2297.8","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 N12 O7 -","- C49 H52 N12 O7 -","- C98 H104 N24 O14 -","2","0.5","","Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Fused Polycyclic Compounds via Cycloaddition of 4-(1'-Cyclohexenyl)-5-iodo-1,2,3-triazoles with 4-Phenyl-1,2,4-triazoline-3,5-dione: The Importance of a Sacrificial Iodide Leaving Group","Journal of Organic Chemistry","2013","78","","5038","5044","10.1021/jo400271j","","","0.71073","MoKα","","0.0595","0.0499","","","0.178","0.1899","","","","","","1.498","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028225","5.3844","0.0014","9.514","0.002","22.874","0.006","90","","95.216","0.003","90","","1166.9","0.5","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H35 Cl N2 O4 -","- C22 H35 Cl N2 O4 -","- C44 H70 Cl2 N4 O8 -","2","1","","Arjun Raghuraman; Dongyue Xin; Lisa M. Perez; Kevin Burgess","Expanding the Scope of Oligo-pyrrolinone-Pyrrolidines as Protein-Protein Interface Mimics","Journal of Organic Chemistry","2013","78","","4823","4833","10.1021/jo400323k","","","0.71073","MoKα","","0.0589","0.0499","","","0.113","0.1174","","","","","","1.065","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028226","10.306","0.002","10.45","0.002","11.48","0.003","90","","104.939","0.004","90","","1194.6","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H34 N2 O5 -","- C24 H34 N2 O5 -","- C48 H68 N4 O10 -","2","1","","Nagarathanam Veerasamy; Erik C. Carlson; Nathan D. Collett; Mrinmoy Saha; Rich G. Carter","Enantioselective Approach to Quinolizidines: Total Synthesis of Cermizine D and Formal Syntheses of Senepodine G and Cermizine C","Journal of Organic Chemistry","2013","78","","4779","4800","10.1021/jo400324t","","","0.71073","MoKα","","0.0579","0.0416","","","0.0784","0.0865","","","","","","1.039","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028227","12.493","0.003","6.4889","0.0013","13.275","0.003","90","","97.91","0.03","90","","1065.9","0.4","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O3 Si -","- C23 H27 N O3 Si -","- C46 H54 N2 O6 Si2 -","2","1","","Paidi Venkatram Reddy; Julien Smith; Anushree Kamath; Hélène Jamet; Amaël Veyron; Peter Koos; Christian Philouze; Andrew E. Greene; Philippe Delair","Asymmetric Approach to Hyacinthacines B1 and B2","Journal of Organic Chemistry","2013","78","","4840","4849","10.1021/jo400386f","","x-ray","0.71073","MoKα","","0.097","0.08","","","0.1888","0.213","","","","","","1.1","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028228","9.7244","0.0004","9.7244","0.0004","20.4524","0.0012","90","","90","","120","","1674.94","0.14","173","2","173","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C30 H66 P2 Pd -","- C30 H66 P2 Pd -","- C60 H132 P4 Pd2 -","2","0.333333","","Steven M. Raders; Jane N. Moore; Jacquelynn K. Parks; Ashley D. Miller; Thomas M. Leißing; Steven P. Kelley; Robin D. Rogers; Kevin H. Shaughnessy","Trineopentylphosphine: A Conformationally Flexible Ligand for the Coupling of Sterically Demanding Substrates in the Buchwald-Hartwig Amination and Suzuki-Miyaura Reaction","Journal of Organic Chemistry","2013","78","","4649","4664","10.1021/jo400435z","","","0.71073","MoKα","","0.0481","0.0395","","","0.0989","0.1046","","","","","","1.099","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028229","15.03","0.0016","16.4173","0.0016","12.3394","0.0012","90","","113.961","0.003","90","","2782.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 Br P Pd -","- C25 H46 Br P Pd -","- C100 H184 Br4 P4 Pd4 -","4","1","","Steven M. Raders; Jane N. Moore; Jacquelynn K. Parks; Ashley D. Miller; Thomas M. Leißing; Steven P. Kelley; Robin D. Rogers; Kevin H. Shaughnessy","Trineopentylphosphine: A Conformationally Flexible Ligand for the Coupling of Sterically Demanding Substrates in the Buchwald-Hartwig Amination and Suzuki-Miyaura Reaction","Journal of Organic Chemistry","2013","78","","4649","4664","10.1021/jo400435z","","","0.71073","MoKα","","0.094","0.0433","","","0.091","0.1112","","","","","","0.975","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028230","13.689","0.009","9.441","0.007","18.734","0.013","90","","91.63","0.02","90","","2420","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H80 Br2 P2 Pd2 -","- C44 H80 Br2 P2 Pd2 -","- C88 H160 Br4 P4 Pd4 -","2","0.5","","Steven M. Raders; Jane N. Moore; Jacquelynn K. Parks; Ashley D. Miller; Thomas M. Leißing; Steven P. Kelley; Robin D. Rogers; Kevin H. Shaughnessy","Trineopentylphosphine: A Conformationally Flexible Ligand for the Coupling of Sterically Demanding Substrates in the Buchwald-Hartwig Amination and Suzuki-Miyaura Reaction","Journal of Organic Chemistry","2013","78","","4649","4664","10.1021/jo400435z","","","0.71073","MoKα","","0.1515","0.1236","","","0.3138","0.3379","","","","","","1.081","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028231","6.771","0.0004","12.089","0.0007","14.8586","0.0009","99.663","0.003","93.799","0.003","91.628","0.003","1195.39","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 B F2 N4 O2 -","- C26 H23 B F2 N4 O2 -","- C52 H46 B2 F4 N8 O4 -","2","1","","Sheri Madhu; Rajesh Gonnade; Mangalampalli Ravikanth","Synthesis of 3,5-Bis(acrylaldehyde) Boron-dipyrromethene and Application in Detection of Cysteine and Homocysteine in Living Cells","Journal of Organic Chemistry","2013","78","","5056","5060","10.1021/jo4004597","","","0.71073","MoKα","","0.0414","0.0374","","","0.1008","0.1054","","","","","","1.024","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028232","12.3447","0.0015","8.4511","0.0011","23.555","0.003","90","","103.932","0.008","90","","2385.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N O3 S -","- C29 H23 N O3 S -","- C116 H92 N4 O12 S4 -","4","1","","Xinzhang Yu; Xiaoyi Xin; Boshun Wan; Xingwei Li","Base-Catalyzed Cyclization of N-Sulfonyl Propargylamides to Sulfonylmethyl-Substituted Oxazoles via Sulfonyl Migration","Journal of Organic Chemistry","2013","78","","4895","4904","10.1021/jo4004635","","","0.71073","MoKα","","0.0446","0.0379","","","0.1027","0.1067","","","","","","1.065","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028233","11.3247","0.0007","12.843","0.0007","15.8094","0.0009","90.059","0.003","90.014","0.004","98.644","0.003","2273.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","2","","Xinzhang Yu; Xiaoyi Xin; Boshun Wan; Xingwei Li","Base-Catalyzed Cyclization of N-Sulfonyl Propargylamides to Sulfonylmethyl-Substituted Oxazoles via Sulfonyl Migration","Journal of Organic Chemistry","2013","78","","4895","4904","10.1021/jo4004635","","","0.71073","MoKα","","0.0994","0.0645","","","0.1909","0.2144","","","","","","1.076","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028234","17.0756","0.0007","17.0756","0.0007","5.7157","0.0003","90","","90","","90","","1666.56","0.13","103","2","103","2","","","","","","","","4","P 41","P 4w","76","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","1","","Guanghu Tong; Bo Zhu; Richmond Lee; Wenguo Yang; Davin Tan; Caiyun Yang; Zhiqiang Han; Lin Yan; Kuo-Wei Huang; Zhiyong Jiang","Highly Enantio- and Diastereoselective Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Allyl Ketones","Journal of Organic Chemistry","2013","78","","5067","5072","10.1021/jo400496z","","","0.71073","MoKα","","0.0591","0.0453","","","0.1085","0.1295","","","","","","1.097","","","","has coordinates,has disorder","301812","2025-08-19","20:48:28",""
"4028235","12.537","0.002","11.4184","0.0019","30.962","0.005","90","","92.029","0.003","90","","4429.5","1.2","85","2","85","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H40 Cl I N O2 P2 Pd -","- C46 H38 I N O2 P2 Pd -","- C184 H152 I4 N4 O8 P8 Pd4 -","4","1","","Naresh Theddu; Edwin Vedejs","Stille Coupling of an Aziridinyl Stannatrane","Journal of Organic Chemistry","2013","78","","5061","5066","10.1021/jo4005052","","","0.71073","MoKα","","0.0542","0.0399","","","0.0858","0.09","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028236","13.293","0.0003","11.5155","0.0003","34.5292","0.0009","90","","90","","90","","5285.6","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H24 N2 O9 S2 -","- C26 H24 N2 O9 S2 -","- C208 H192 N16 O72 S16 -","8","2","","Rahul Kumar; Tarun Kumar; Shaikh M. Mobin; Irishi N. N. Nambothiri","Rauhut-Currier Reaction of Nitroalkenes with Vinyl Sulfones","Journal of Organic Chemistry","2013","78","","5073","5077","10.1021/jo400528j","","","0.71073","MoKα","","0.0576","0.0486","","","0.1185","0.127","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028237","7.902","0.002","6.4016","0.0016","24.337","0.006","90","","94.076","0.005","90","","1228","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C48 H52 N12 O16 -","4","1","","Xiao-Jian Li; Jin-Ling Zhang; Yu Geng; Zhong Jin","Nickel-Catalyzed Suzuki-Miyaura Coupling of Heteroaryl Ethers with Arylboronic Acids","Journal of Organic Chemistry","2013","78","","5078","5084","10.1021/jo4005537","","","0.71073","MoKα","","0.0406","0.0355","","","0.0984","0.1023","","","","","","1.05","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028238","8.055","0.0016","6.578","0.0012","22.091","0.003","90","","90","","90","","1170.5","0.4","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C40 H48 N16 O16 -","4","0.5","","Xiao-Jian Li; Jin-Ling Zhang; Yu Geng; Zhong Jin","Nickel-Catalyzed Suzuki-Miyaura Coupling of Heteroaryl Ethers with Arylboronic Acids","Journal of Organic Chemistry","2013","78","","5078","5084","10.1021/jo4005537","","","0.71075","MoKα","","0.0616","0.0467","","","0.1118","0.1221","","","","","","0.987","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028239","7.7674","0.0003","9.3961","0.0004","10.3181","0.0004","94.823","0.004","108.859","0.004","110.954","0.004","648.29","0.06","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H33 B N O2 P -","- C29 H33 B N O2 P -","- C29 H33 B N O2 P -","1","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0546","0.0447","","","0.0896","0.0971","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028240","14.5338","0.0002","14.7098","0.0003","16.4238","0.0003","90","","90","","90","","3511.23","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 B O P -","- C20 H20 B O P -","- C160 H160 B8 O8 P8 -","8","2","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0645","0.0454","","","0.1074","0.116","","","","","","1.058","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028241","11.7715","0.0001","11.7715","0.0001","33.0827","0.0005","90","","90","","90","","4584.21","0.09","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C28 H25 O3 P -","- C28 H25 O3 P -","- C224 H200 O24 P8 -","8","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0463","0.0394","","","0.0948","0.0985","","","","","","1.063","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028242","8.93335","0.00014","14.779","0.0002","14.9251","0.0002","90","","90","","90","","1970.5","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 B O3 P -","- C21 H22 B O3 P -","- C84 H88 B4 O12 P4 -","4","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0624","0.0401","","","0.0889","0.0987","","","","","","1.074","","","","has coordinates","301812","2025-08-19","20:48:28",""
"4028243","5.8557","0.0002","11.1797","0.0003","23.0458","0.0007","90","","96.169","0.003","90","","1499.96","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 Fe2 N4 S2 -","- C38 H22 Fe2 N2.008 S1.004 -","- C76 H44 Fe4 N4.016 S2.008 -","2","0.5","","Rajneesh Misra; Prabhat Gautam; Thaksen Jadhav; Shaikh M. Mobin","Donor-Acceptor Ferrocenyl-Substituted Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","4940","4948","10.1021/jo4005734","","","0.71073","MoKα","","0.0413","0.0361","","","0.1033","0.1068","","","","","","1.118","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028244","7.8356","0.0003","13.5503","0.0006","14.1937","0.0007","101.051","0.004","104.151","0.004","102.601","0.004","1377.45","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Fe2 N2 S -","- C36 H24 Fe2 N2 S -","- C72 H48 Fe4 N4 S2 -","2","1","","Rajneesh Misra; Prabhat Gautam; Thaksen Jadhav; Shaikh M. Mobin","Donor-Acceptor Ferrocenyl-Substituted Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","4940","4948","10.1021/jo4005734","","","0.71073","MoKα","","0.06","0.0396","","","0.092","0.1045","","","","","","1.014","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028245","5.8233","0.0013","10.972","0.003","25.131","0.004","92.163","0.016","94.088","0.016","90.087","0.018","1600.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 Br Fe N2 S -","- C18 H11 Br Fe N2 S -","- C72 H44 Br4 Fe4 N8 S4 -","4","2","","Rajneesh Misra; Prabhat Gautam; Thaksen Jadhav; Shaikh M. Mobin","Donor-Acceptor Ferrocenyl-Substituted Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","4940","4948","10.1021/jo4005734","","","0.71073","MoKα","","0.0456","0.0356","","","0.0841","0.0904","","","","","","1.059","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028246","13.053","0.005","5.964","0.005","22.4","0.005","90","","104.204","0.005","90","","1690.5","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl N2 -","- C21 H15 Cl N2 -","- C84 H60 Cl4 N8 -","4","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.141","0.0559","","","0.1135","0.1487","","","","","","0.977","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028247","10.57","0.0006","12.281","0.0013","12.175","0.0013","90","","94.429","0.007","90","","1575.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O0 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.0571","0.0447","","","0.1158","0.1252","","","","","","1.054","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028248","8.3176","0.0005","9.1581","0.0006","13.6637","0.0009","79.165","0.003","74.483","0.003","68.131","0.003","926.15","0.1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N4 -","- C23 H18 N4 -","- C46 H36 N8 -","2","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.1363","0.0756","","","0.1647","0.1998","","","","","","0.881","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028249","19.0435","0.0007","5.8998","0.0002","15.716","0.0005","90","","111.362","0.002","90","","1644.43","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl N2 -","- C21 H15 Cl N2 -","- C84 H60 Cl4 N8 -","4","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.0489","0.0354","","","0.0895","0.1013","","","","","","1.038","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028250","27.62","0.003","7.802","0.0008","16.139","0.0012","90","","111.655","0.005","90","","3232.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N3 O0 -","- C20 H15 N3 -","- C160 H120 N24 -","8","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.0552","0.0431","","","0.1078","0.1169","","","","","","1.07","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028251","9.3639","0.0016","10.21","0.0018","10.8034","0.0018","72.267","0.004","69.494","0.003","71.237","0.003","894.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N4 -","- C23 H18 N4 -","- C46 H36 N8 -","2","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.1215","0.0648","","","0.1834","0.2372","","","","","","0.942","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028252","10.894","0.002","13.964","0.003","14.328","0.003","84.56","0.03","69.02","0.03","68.47","0.03","1891.5","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","22-thia-1,5-naphthiporphyrin","","","- C52 H36 N2 S -","- C52 H36 N2 S -","- C104 H72 N4 S2 -","2","1","","Bartosz Szyszko; Ewa Pacholska-Dudziak; Lechosław Latos-Grażyński","Incorporation of the 1,5-Naphthalene Subunit into Heteroporphyrin Structure: Toward Helical Aceneporphyrinoids","Journal of Organic Chemistry","2013","78","","5090","5095","10.1021/jo4006624","","","0.71073","MoKα","","0.1211","0.0611","","","0.1494","0.1728","","","","","","0.938","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028253","10.781","0.003","14.138","0.004","14.357","0.004","86.03","0.03","70.24","0.03","67.79","0.03","1902.4","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","22-selena-1,5-naphthiporphyrin","","","- C52 H36 N2 Se -","- C52 H36 N2 Se -","- C104 H72 N4 Se2 -","2","1","","Bartosz Szyszko; Ewa Pacholska-Dudziak; Lechosław Latos-Grażyński","Incorporation of the 1,5-Naphthalene Subunit into Heteroporphyrin Structure: Toward Helical Aceneporphyrinoids","Journal of Organic Chemistry","2013","78","","5090","5095","10.1021/jo4006624","","","0.71073","MoKα","","0.046","0.0344","","","0.0729","0.0771","","","","","","1.023","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028254","8.4875","0.0017","6.6947","0.0013","17.625","0.004","90","","92.5","0.03","90","","1000.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 S -","- C12 H10 O2 S -","- C48 H40 O8 S4 -","4","1","","Peng Zhao; Hang Yin; Hongxin Gao; Chanjuan Xi","Cu-Catalyzed Synthesis of Diaryl Thioethers and S-Cycles by Reaction of Aryl Iodides with Carbon Disulfide in the Presence of DBU","Journal of Organic Chemistry","2013","78","","5001","5006","10.1021/jo400709s","","","0.71073","MoKα","","0.0416","0.0399","","","0.0948","0.0959","","","","","","1.139","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028255","10.8196","0.0009","12.0793","0.001","19.096","0.0016","72.509","0.001","89.47","0.001","70.382","0.001","2230.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]- 5-(4-methoxyphenyl)-5H-1,3-dithiolo[4,5-c]pyrrole","","- C21 H23 N O S6 -","- C21 H23 N O S6 -","- C84 H92 N4 O4 S24 -","4","2","","Matthias H. Düker; Hannes Schäfer; Matthias Zeller; Vladimir A. Azov","Rationally Designed Calix[4]arene-Pyrrolotetrathiafulvalene Receptors for Electron-Deficient Neutral Guests","Journal of Organic Chemistry","2013","78","","4905","4912","10.1021/jo400502t","","","0.71073","MoKα","","0.0342","0.0266","","","0.0647","0.0703","","","","","","1.033","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028256","4.9959","0.0001","15.4251","0.0005","16.5839","0.0006","90","","90","","90","","1277.99","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 N O4 -","- C17 H11 N O4 -","- C68 H44 N4 O16 -","4","1","","Hye Sun Kim; Martin G. Banwell; Anthony C. Willis","Convergent Total Syntheses of the Amaryllidaceae Alkaloids Lycoranine A, Lycoranine B, and 2-Methoxypratosine","Journal of Organic Chemistry","2013","78","","5103","5109","10.1021/jo4006987","","","0.71073","MoKα","","0.0437","0.0356","","0.0911","0.0863","0.0911","","","","","","1.0079","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028257","4.9832","0.0003","16.4133","0.0007","16.4878","0.0007","90","","90","","90","","1348.55","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Hye Sun Kim; Martin G. Banwell; Anthony C. Willis","Convergent Total Syntheses of the Amaryllidaceae Alkaloids Lycoranine A, Lycoranine B, and 2-Methoxypratosine","Journal of Organic Chemistry","2013","78","","5103","5109","10.1021/jo4006987","","","0.71073","MoKα","","0.0504","0.0374","","0.0911","0.0854","0.0911","","","","","","0.9826","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028258","21.9693","0.0007","9.6562","0.0003","16.051","0.0005","90","","126.48","0.0015","90","","2737.9","0.16","295","","295","","","","","","","","local","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Br2 N2 O8 -","- C30 H18 Br2 N2 O8 -","- C120 H72 Br8 N8 O32 -","4","0.5","","Hye Sun Kim; Martin G. Banwell; Anthony C. Willis","Convergent Total Syntheses of the Amaryllidaceae Alkaloids Lycoranine A, Lycoranine B, and 2-Methoxypratosine","Journal of Organic Chemistry","2013","78","","5103","5109","10.1021/jo4006987","","","0.71073","MoKα","","0.0774","0.0415","","0.1116","0.0968","0.1116","","","","","","0.9448","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028259","6.9155","0.0002","12.1618","0.0003","23.7255","0.0005","90","","90","","90","","1995.43","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O9 S -","- C18 H24 N2 O9 S -","- C72 H96 N8 O36 S4 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0323","0.0299","","","0.077","0.0789","","","","","","1.042","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028260","6.8352","0.0001","9.3359","0.0002","25.6298","0.0005","90","","90","","90","","1635.51","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O7 -","- C17 H18 N2 O7 -","- C68 H72 N8 O28 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0265","0.0263","","","0.0681","0.0683","","","","","","1.081","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028261","4.8157","0.0001","11.331","0.0002","54.7137","0.0011","90","","90","","90","","2985.55","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl3 N O7 -","- C31 H30 Cl3 N O7 -","- C124 H120 Cl12 N4 O28 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0481","0.0473","","","0.1245","0.1252","","","","","","1.098","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028262","7.577","0.006","7.621","0.006","11.472","0.009","90.963","0.007","101.151","0.01","112.377","0.011","598","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 N2 -","- C32 H32 N2 -","- C32 H32 N2 -","1","0.5","","Xuege Ling; Yan Xiong; Ruofeng Huang; Xiaohui Zhang; Shuting Zhang; Changguo Chen","Synthesis of Benzidine Derivatives via FeCl3.6H2O-Promoted Oxidative Coupling of Anilines","Journal of Organic Chemistry","2013","78","","5218","5226","10.1021/jo4002504","","","0.71073","MoKα","","0.1346","0.087","","","0.2671","0.2996","","","","","","0.979","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028263","9.3073","0.001","12.0801","0.0012","12.4086","0.0013","67.295","0.002","81.595","0.002","77.51","0.002","1253.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H25 N O4 -","- C35 H25 N O4 -","- C70 H50 N2 O8 -","2","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0585","0.0454","","","0.1082","0.1145","","","","","","1.016","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028264","12.2471","0.0004","14.0298","0.0005","19.1191","0.0007","90","","106.982","0.001","90","","3141.88","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 N2 O4 -","- C44 H28 N2 O4 -","- C176 H112 N8 O16 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.051","0.0374","","","0.0854","0.0904","","","","","","0.984","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028265","9.2269","0.0005","12.1529","0.0007","15.1197","0.0008","85.005","0.001","75.163","0.001","76.839","0.001","1595.11","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H23 Cl3 D4 N4 O4 -","- C36 H27 Cl3 N4 O4 -","- C72 H54 Cl6 N8 O8 -","2","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0647","0.0455","","","0.1078","0.116","","","","","","1.014","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028266","13.4642","0.001","12.4255","0.0009","18.3069","0.0013","90","","108.092","0.0018","90","","2911.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N3 O5 -","- C39 H27 N3 O5 -","- C156 H108 N12 O20 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.075","0.0553","","","0.1177","0.1267","","","","","","1.081","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028267","11.195","0.0006","17.6056","0.001","19.1402","0.0011","90","","90.748","0.001","90","","3772.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 D3 N3 O7 S -","- C47 H35 N3 O7 S -","- C188 H140 N12 O28 S4 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0492","0.038","","","0.0944","0.0996","","","","","","1.04","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028268","13.8334","0.0006","25.7733","0.0011","20.345","0.0008","90","","98.328","0.001","90","","7177.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H31 D1.5 I N2.5 O4 -","- C46 H31 I N2.5 O4 -","- C368 H248 I8 N20 O32 -","8","2","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0539","0.0462","","","0.1199","0.1258","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028269","9.6583","0.0007","10.435","0.0008","31.657","0.002","90","","94.42","0.002","90","","3181","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl3 D I N3 O4 -","- C35 H27 Cl3 I N3 O4 -","- C140 H108 Cl12 I4 N12 O16 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0522","0.041","","","0.0897","0.101","","","","","","1.125","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028270","13.405","0.002","4.6947","0.0006","26.649","0.004","90","","104.114","0.003","90","","1626.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl2 N2 O3 -","- C16 H16 Cl2 N2 O3 -","- C64 H64 Cl8 N8 O12 -","4","1","","Matthäus Getlik; Brian J. Wilson; M. Monzur Morshed; Iain D. G. Watson; Doris Tang; Pandiaraju Subramanian; Rima Al-awar","Rearrangement of 4-Amino-3-halo-pyridines by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","5705","5710","10.1021/jo4003773","","","0.71073","MoKα","","0.0589","0.0411","","","0.0879","0.0949","","","","","","1.067","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028271","13.4067","0.0006","4.7337","0.0002","26.7972","0.0013","90","","104.096","0.003","90","","1649.43","0.13","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br Cl N2 O3 -","- C16 H16 Br Cl N2 O3 -","- C64 H64 Br4 Cl4 N8 O12 -","4","1","","Matthäus Getlik; Brian J. Wilson; M. Monzur Morshed; Iain D. G. Watson; Doris Tang; Pandiaraju Subramanian; Rima Al-awar","Rearrangement of 4-Amino-3-halo-pyridines by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","5705","5710","10.1021/jo4003773","","","1.54178","CuKα","","0.0552","0.0527","","","0.1501","0.1524","","","","","","1.093","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028272","7.1704","0.0002","9.1427","0.0002","9.7023","0.0002","90","","93.713","0.002","90","","634.72","0.03","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C30 H36 O4 -","2","1","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","1.54178","CuKα","","0.0422","0.0355","","","0.0852","0.0895","","","","","","1.059","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028273","6.3404","0.0001","12.4922","0.0001","15.402","0.0001","90","","90","","90","","1219.92","0.02","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","1.54178","CuKα","","0.0357","0.0337","","","0.0867","0.0887","","","","","","1.118","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028274","9.556","0.003","7.2095","0.0019","20.257","0.005","90","","96.12","0.004","90","","1387.6","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","0.71073","MoKα","","0.0786","0.0518","","","0.1055","0.1125","","","","","","0.927","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028275","9.852","0.002","22.69","0.005","11.49","0.002","90","","94.817","0.003","90","","2559.4","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C112 H160 O24 -","8","4","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","0.71073","MoKα","","0.1215","0.0714","","","0.1413","0.1623","","","","","","1.046","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028276","10.562","0.002","12.19","0.002","18.671","0.004","95.819","0.002","105.13","0.002","103.746","0.003","2219.6","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C122 H94 O2 -","- C122 H94 O2 -","- C122 H94 O2 -","1","0.5","","Melissa Hughs; Miguel Jimenez; Saeed Khan; Miguel A. Garcia-Garibay","Synthesis, Rotational Dynamics, and Photophysical Characterization of a Crystalline Linearly Conjugated Phenyleneethynylene Molecular Dirotor","Journal of Organic Chemistry","2013","78","","5293","5302","10.1021/jo4004053","","","0.71073","MoKα","","0.1204","0.0726","","","0.1538","0.1722","","","","","","1.034","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028277","5.1851","0.0002","32.7784","0.0012","7.2746","0.0002","90","","107.566","0.001","90","","1178.73","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Vinayak Vishnu Pagar; Appaso M. Jadhav; Rai-Shung Liu","Gold-Catalyzed Reactions between Alkenyldiazo Carbonyl Species and Acetals","Journal of Organic Chemistry","2013","78","","5711","5716","10.1021/jo400419d","","","0.71073","MoKα","","0.0454","0.0388","","","0.1116","0.1311","","","","","","1.155","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028278","7.2931","0.0009","13.1303","0.0014","13.7726","0.0015","92.71","0.001","96.367","0.001","98.725","0.002","1292.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 F5 N2 O4 -","- C31 H19 F5 N2 O4 -","- C62 H38 F10 N4 O8 -","2","1","","Yubin Ding; Xin Li; Tong Li; Weihong Zhu; Yongshu Xie","α-Monoacylated and α,α'- and α,β'-Diacylated Dipyrrins as Highly Sensitive Fluorescence ""Turn-on"" Zn2+ Probes","Journal of Organic Chemistry","2013","78","","5328","5338","10.1021/jo400454e","","","0.71073","MoKα","","0.1102","0.0528","","","0.0964","0.1095","","","","","","1.044","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028279","12.89","0.0013","16.4959","0.0015","21.712","0.002","92.231","0.001","90.21","0.001","112.136","0.002","4272.3","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H28 F10 N4 O5 Zn -","- C47 H28 F10 N4 O5 Zn -","- C188 H112 F40 N16 O20 Zn4 -","4","2","","Yubin Ding; Xin Li; Tong Li; Weihong Zhu; Yongshu Xie","α-Monoacylated and α,α'- and α,β'-Diacylated Dipyrrins as Highly Sensitive Fluorescence ""Turn-on"" Zn2+ Probes","Journal of Organic Chemistry","2013","78","","5328","5338","10.1021/jo400454e","","","0.71073","MoKα","","0.1808","0.0732","","","0.1576","0.2211","","","","","","1.032","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028280","9.22335","0.0002","14.6654","0.0003","9.7778","0.0002","90","","116.253","0.003","90","","1186.16","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 Cl2 N2 -","- C25 H30 Cl2 N2 -","- C50 H60 Cl4 N4 -","2","1","","Juan Agut; Andreu Vidal; Santiago Rodríguez; Florenci V. González","Dynamic Kinetic Asymmetric Ring-Opening/Reductive Amination Sequence of Racemic Nitroepoxides with Chiral Amines: Enantioselective Synthesis of Chiral Vicinal Diamines","Journal of Organic Chemistry","2013","78","","5717","5722","10.1021/jo400501k","","","1.54184","CuKα","","0.0402","0.0355","","","0.0915","0.0961","","","","","","1.048","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028281","18.452","0.005","21.012","0.005","23.169","0.005","77.835","0.013","76.289","0.013","80.419","0.014","8467","4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H114 N8 O38.25 S4 -","- C76 H96.5 N8 O38.25 S4 -","- C304 H386 N32 O153 S16 -","4","2","","Ling Chen; Ying-Ming Zhang; Li-Hua Wang; Yu Liu","Molecular Binding Behaviors of Pyromellitic and Naphthalene Diimide Derivatives by Tetrasulfonated 1,5-Dinaphtho-(3n+8)-crown-n (n= 8, 10) in Aqueous Solution","Journal of Organic Chemistry","2013","78","","5357","5363","10.1021/jo400519z","","","0.71073","MoKα","","0.1366","0.0932","","","0.2373","0.2709","","","","","","1.088","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028282","16.0646","0.0016","19.1312","0.0018","14.769","0.0012","90","","114.212","0.004","90","","4139.8","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H76 N4 Na2 O29 S4 -","- C60 H74 N4 Na2 O29 S4 -","- C120 H148 N8 Na4 O58 S8 -","2","0.5","","Ling Chen; Ying-Ming Zhang; Li-Hua Wang; Yu Liu","Molecular Binding Behaviors of Pyromellitic and Naphthalene Diimide Derivatives by Tetrasulfonated 1,5-Dinaphtho-(3n+8)-crown-n (n= 8, 10) in Aqueous Solution","Journal of Organic Chemistry","2013","78","","5357","5363","10.1021/jo400519z","","","0.71073","MoKα","","0.1231","0.1088","","","0.3177","0.3289","","","","","","1.07","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4028283","8.3298","0.0011","11.5891","0.0015","15.56","0.002","69.581","0.002","87.931","0.002","77.008","0.002","1370.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl r-4-benzoyl-t-2-(2,4-dichlorophenyl)-t-5-phenyltetrahydrofuran -3,3-dicarboxylate","","- C29 H26 Cl2 O6 -","- C29 H26 Cl2 O6 -","- C58 H52 Cl4 O12 -","2","1","","Gaosheng Yang; Yongxian Sun; Yue Shen; Zhuo Chai; Shuangliu Zhou; Jiang Chu; Jun Chai","cis-2,3-Disubstituted Cyclopropane 1,1-Diesters in [3 + 2] Annulations with Aldehydes: Highly Diastereoselective Construction of Densely Substituted Tetrahydrofurans","Journal of Organic Chemistry","2013","78","","5393","5400","10.1021/jo400554a","","","0.71073","MoKα","","0.0843","0.0601","","","0.1873","0.213","","","","","","1.041","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028284","11.9773","0.0005","33.8488","0.0014","26.8616","0.0012","90","","90","","90","","10890.2","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H27 N O -","- C36 H27 N O -","- C576 H432 N16 O16 -","16","2","","Yushang Shao; Kai Zhu; Zhengchen Qin; Ende Li; Yanzhong Li","Lewis Acid-Catalyzed Cyclization of Enaminones with Propargylic Alcohols: Regioselective Synthesis of Multisubstituted 1,2-Dihydropyridines","Journal of Organic Chemistry","2013","78","","5731","5736","10.1021/jo4005553","","","0.71073","MoKα","","0.088","0.0493","","","0.1194","0.1408","","","","","","1.014","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028285","18.05","0.002","35.092","0.004","16.8645","0.0019","90","","90","","90","","10682","2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C33 H28 N2 O3 -","- C33 H28 N2 O3 -","- C528 H448 N32 O48 -","16","1","","Yushang Shao; Kai Zhu; Zhengchen Qin; Ende Li; Yanzhong Li","Lewis Acid-Catalyzed Cyclization of Enaminones with Propargylic Alcohols: Regioselective Synthesis of Multisubstituted 1,2-Dihydropyridines","Journal of Organic Chemistry","2013","78","","5731","5736","10.1021/jo4005553","","","0.71073","MoKα","","0.101","0.0484","","","0.1221","0.1446","","","","","","1.007","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028286","8.725","0.002","10.615","0.003","15.382","0.004","101.904","0.004","103.685","0.004","92.923","0.004","1346.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N O3 -","- C32 H28 N O3 -","- C64 H56 N2 O6 -","2","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0965","0.0683","","","0.2192","0.271","","","","","","1.059","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028287","10.4137","0.0016","10.9877","0.0017","11.8481","0.0019","77.438","0.002","69.263","0.002","86.112","0.002","1237.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C58 H44 N4 O6 -","2","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0593","0.0491","","","0.1542","0.1754","","","","","","1.019","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028288","17.162","0.0019","14.1668","0.0016","9.4409","0.0011","90","","97.047","0.002","90","","2278","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0498","0.0397","","","0.1097","0.1227","","","","","","1.05","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028289","8.415","0.003","8.415","0.003","16.635","0.007","88.127","0.003","88.127","0.003","65.54","","1071.4","0.7","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C54 H46 N2 O6 -","2","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0683","0.0469","","","0.1296","0.16","","","","","","1.098","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028290","10.9888","0.0019","11.3153","0.0019","19.432","0.003","90","","99.034","0.003","90","","2386.2","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N3 O3 -","- C29 H19 N3 O3 -","- C116 H76 N12 O12 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0941","0.0749","","","0.2207","0.2416","","","","","","1.041","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028291","11.0127","0.0014","11.3177","0.0014","19.429","0.002","90","","97.418","0.002","90","","2401.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N2 O3 -","- C30 H20 N2 O3 -","- C120 H80 N8 O12 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0621","0.0456","","","0.1345","0.1517","","","","","","1.023","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028292","12.1292","0.0015","12.4025","0.0016","16.419","0.002","73.056","0.002","89.736","0.002","81.05","0.002","2331.8","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","2","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0639","0.0494","","","0.145","0.1665","","","","","","1.047","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028293","10.3447","0.0008","11.4132","0.0009","19.3604","0.0016","90","","99.075","0.001","90","","2257.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 O3 S -","- C24 H16 N2 O3 S -","- C96 H64 N8 O12 S4 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.067","0.0572","","","0.1559","0.1635","","","","","","1.037","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028294","9.8042","0.0011","13.8629","0.0015","16.1318","0.0018","90","","90","","90","","2192.5","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 F N2 O4 -","- C21 H15 F N2 O4 -","- C84 H60 F4 N8 O16 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0734","0.061","","","0.142","0.1481","","","","","","1.084","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028295","13.7138","0.0004","5.5493","0.0002","33.3099","0.001","90","","94.945","0.002","90","","2525.51","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dihexyloxy-5,7-bis(2-thienyl)thieno[3,4-b]pyrazine","","- C26 H32 N2 O2 S3 -","- C26 H32 N2 O2 S2.9255 -","- C104 H128 N8 O8 S11.702 -","4","1","","Ryan L. Schwiderski; Seth C. Rasmussen","Synthesis and Characterization of Thieno[3,4-b]pyrazine-Based Terthienyls: Tunable Precursors for Low Band Gap Conjugated Materials","Journal of Organic Chemistry","2013","78","","5453","5462","10.1021/jo400577q","","","1.54178","CuKα","","0.0404","0.0324","","","0.084","0.0892","","","","","","1.039","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028296","11.9818","0.0003","13.2018","0.0003","10.9061","0.0003","90","","115.492","0.001","90","","1557.19","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7-Bis(2-thienyl)thieno[3,4-b]pyrazine-2,3(1H,4H)-dione","","- C15 H12 N2 O3 S3 -","- C15 H12 N2 O3 S3 -","- C60 H48 N8 O12 S12 -","4","1","","Ryan L. Schwiderski; Seth C. Rasmussen","Synthesis and Characterization of Thieno[3,4-b]pyrazine-Based Terthienyls: Tunable Precursors for Low Band Gap Conjugated Materials","Journal of Organic Chemistry","2013","78","","5453","5462","10.1021/jo400577q","","","0.71073","MoKα","","0.048","0.0427","","","0.1209","0.1256","","","","","","1.056","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028297","16.1751","0.0004","13.433","0.0003","7.5616","0.0002","90","","95.576","0.001","90","","1635.21","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Bis(bromomethyl)-5,7-bis(2-thienyl)thieno[3,4-b]pyrazine","","- C16 H10 Br2 N2 S3 -","- C16 H10 Br2 N2 S3 -","- C64 H40 Br8 N8 S12 -","4","1","","Ryan L. Schwiderski; Seth C. Rasmussen","Synthesis and Characterization of Thieno[3,4-b]pyrazine-Based Terthienyls: Tunable Precursors for Low Band Gap Conjugated Materials","Journal of Organic Chemistry","2013","78","","5453","5462","10.1021/jo400577q","","","1.54178","CuKα","","0.0201","0.0191","","","0.0535","0.0666","","","","","","1.24","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028298","9.9176","0.0005","13.8269","0.0007","14.4534","0.0007","90","","102.099","0.003","90","","1937.96","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H45 Cl2 N O10 S -","- C37 H45 Cl2 N O10 S -","- C74 H90 Cl4 N2 O20 S2 -","2","1","","Nicholas A. Magnus; Bret A. Astleford; Dana L. T. Laird; Todd D. Maloney; Adam D. McFarland; John R. Rizzo; J. Craig Ruble; Gregory A. Stephenson; James P. Wepsiec","Additives Promote Noyori-type Reductions of a β-Keto-γ-lactam: Asymmetric Syntheses of Serotonin Norepinephrine Reuptake Inhibitors","Journal of Organic Chemistry","2013","78","","5768","5774","10.1021/jo400589j","","","1.54178","CuKα","","0.0557","0.05","","","0.1317","0.1406","","","","","","1.038","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028299","24.1779","0.0017","7.1621","0.0001","14.2437","0.0002","90","","105.839","0.007","90","","2372.86","0.19","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O7 -","- C26 H29 N O7 -","- C104 H116 N4 O28 -","4","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.0455","","","","0.1362","","","","","","1.025","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028300","8.947","0.0001","10.2863","0.0001","14.9572","0.001","70.258","0.005","79.287","0.006","69.189","0.005","1207.7","0.1","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O7 -","- C26 H29 N O7 -","- C52 H58 N2 O14 -","2","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.0477","","","","0.1395","","","","","","1.119","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028301","9.348","0.0001","8.2678","0.0001","10.8164","0.0007","90","","90.855","0.006","90","","835.88","0.06","113","","113","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.039","","","","0.1207","","","","","","1.019","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028302","10.28","0.002","10.274","0.002","10.758","0.002","90","","96.23","0.03","90","","1129.5","0.4","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O6 -","- C25 H27 N O6 -","- C50 H54 N2 O12 -","2","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","0.71073","MoKα","","0.0618","0.0537","","","0.1426","0.1486","","","","","","1.08","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028303","6.2811","0.0002","9.4985","0.0005","31.822","0.002","90","","90","","90","","1898.53","0.17","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.0776","","","","0.2436","","","","","","1.506","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028304","6.1955","0.0003","11.2882","0.0005","14.7831","0.0007","93.486","0.003","92.912","0.003","98.573","0.003","1018.55","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 F N O2 S -","- C23 H24 F N O2 S -","- C46 H48 F2 N2 O4 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1133","0.0545","","","0.1399","0.197","","","","","","1.027","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028305","13.71","0.007","6.124","0.003","25.121","0.013","90","","95.688","0.008","90","","2098.8","1.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 F N O2 S -","- C24 H26 F N O2 S -","- C96 H104 F4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1653","0.063","","","0.1542","0.2339","","","","","","0.986","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028306","12.43","0.019","6.141","0.01","27.64","0.05","90","","92.46","0.03","90","","2108","6","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 F N O2 S -","- C24 H26 F N O2 S -","- C96 H104 F4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.3446","0.0881","","","0.1856","0.3581","","","","","","0.916","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028307","13.747","0.006","6.117","0.003","25.147","0.011","90","","97.805","0.007","90","","2095","1.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F N2 O4 S -","- C23 H23 F N2 O4 S -","- C92 H92 F4 N8 O16 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1306","0.0567","","","0.0946","0.118","","","","","","0.942","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028308","12.3463","0.0015","6.1068","0.0007","27.655","0.003","90","","92.396","0.005","90","","2083.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F N2 O4 S -","- C23 H23 F N2 O4 S -","- C92 H92 F4 N8 O16 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1204","0.0554","","","0.1413","0.2036","","","","","","1.013","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028309","34.923","0.006","6.1752","0.0009","27.36","0.005","90","","127.598","0.004","90","","4674.9","1.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 F N O4 S -","- C26 H28 F N O4 S -","- C208 H224 F8 N8 O32 S8 -","8","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1841","0.0656","","","0.1034","0.1414","","","","","","0.932","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028310","8.0528","0.0009","11.9625","0.0013","24.136","0.003","90","","93.301","0.008","90","","2321.2","0.5","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 F N O4 S -","- C26 H28 F N O4 S -","- C104 H112 F4 N4 O16 S4 -","4","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.2013","0.1722","","","0.4482","0.4699","","","","","","1.705","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028311","13.853","0.003","6.0937","0.0012","25.16","0.004","90","","96.296","0.006","90","","2111.1","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Br F N O2 S -","- C23 H23 Br F N O2 S -","- C92 H92 Br4 F4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.0902","0.0426","","","0.0846","0.1103","","","","","","0.925","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028312","21.569","0.003","10.17","0.0015","21.832","0.003","90","","116.959","0.006","90","","4268.6","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O3 S -","- C24 H27 N O3 S -","- C192 H216 N8 O24 S8 -","8","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.2003","0.0985","","","0.2905","0.3483","","","","","","1.077","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028313","9.3782","0.0016","28.013","0.004","17.254","0.003","90","","96.101","0.009","90","","4507.2","1.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O3 S -","- C27 H27 N O3 S -","- C216 H216 N8 O24 S8 -","8","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.3432","0.0901","","","0.1486","0.2249","","","","","","0.907","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028314","8.6623","0.0013","17.538","0.003","15.378","0.002","90","","91.343","0.002","90","","2335.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O3 S -","- C25 H28 N2 O3 S -","- C100 H112 N8 O12 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.0699","0.0456","","","0.1232","0.1457","","","","","","1.033","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028315","8.3586","0.0003","10.8687","0.0004","12.8384","0.0005","101.952","0.002","100.022","0.002","111.15","0.002","1023.87","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 F N O2 S -","- C23 H24 F N O2 S -","- C46 H48 F2 N2 O4 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.0733","0.0484","","","0.1396","0.1727","","","","","","1.084","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028316","21.2731","0.0016","5.6491","0.0005","12.1122","0.0008","90","","98.13","0.002","90","","1440.94","0.19","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H18 O S -","- C17 H18 O S -","- C68 H72 O4 S4 -","4","1","","Hsin-Yi Wu; Chih-Wei Chang; Rong-Jie Chein","Enantioselective Synthesis of (Thiolan-2-yl)diphenylmethanol and Its Application in Asymmetric, Catalytic Sulfur Ylide-Mediated Epoxidation","Journal of Organic Chemistry","2013","78","","5788","5793","10.1021/jo400648f","","","0.71073","MoKα","","0.0684","0.0461","","","0.0851","0.0942","","","","","","1.019","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028317","9.468","0.0006","23.0549","0.0015","13.3023","0.0009","90","","92.765","0.002","90","","2900.3","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N4 O5 S -","- C34 H34 N4 O5 S -","- C136 H136 N16 O20 S4 -","4","1","","Michael F. Geer; Michael D. Walla; Kyril M. Solntsev; Cristian A. Strassert; Linda S. Shimizu","Self-Assembled Benzophenone Bis-urea Macrocycles Facilitate Selective Oxidations by Singlet Oxygen","Journal of Organic Chemistry","2013","78","","5568","5578","10.1021/jo400685u","","","0.71073","MoKα","","0.1044","0.0675","","","0.1722","0.1907","","","","","","1.033","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028318","9.917","0.018","10.332","0.018","17.37","0.04","89.13","0.07","88.64","0.07","67.3","0.05","1641","6","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O2 S -","- C18 H18 O2 S -","- C72 H72 O8 S4 -","4","2","","Anna Junker; Junichiro Yamaguchi; Kenichiro Itami; Bernhard Wünsch","Synthesis of Thiophene-Based TAK-779 Analogues by C-H Arylation","Journal of Organic Chemistry","2013","78","","5579","5586","10.1021/jo400692p","","","0.7107","MoKα","","0.1788","0.1153","","","0.2623","0.3115","","","","","","1.115","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028319","10.7126","0.0011","12.2124","0.0012","13.293","0.0013","90","","90","","90","","1739.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 -","- C21 H26 N2 -","- C84 H104 N8 -","4","1","","Changxia Yuan; Chih-Tsung Chang; Dionicio Siegel","Syntheses of (+)-Complanadine A and Lycodine Derivatives by Regioselective [2 + 2 + 2] Cycloadditions","Journal of Organic Chemistry","2013","78","","5647","5668","10.1021/jo400695c","","","0.71073","MoKα","","0.0601","0.0459","","","0.1007","0.1074","","","","","","1.139","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028320","8.3331","0.0012","9.4612","0.0015","16.866","0.002","90","","90","","90","","1329.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","","Changxia Yuan; Chih-Tsung Chang; Dionicio Siegel","Syntheses of (+)-Complanadine A and Lycodine Derivatives by Regioselective [2 + 2 + 2] Cycloadditions","Journal of Organic Chemistry","2013","78","","5647","5668","10.1021/jo400695c","","","0.71075","MoKα","","0.0306","0.0287","","","0.0738","0.0747","","","","","","1.168","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028321","11.6527","0.0014","8.0359","0.001","18.959","0.002","90","","91.457","0.002","90","","1774.7","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Christopher C. Nawrat; Leoni I. Palmer; Alexander J. Blake; Christopher J. Moody","Two Approaches to the Aromatic Core of the Aminonaphthoquinone Antibiotics","Journal of Organic Chemistry","2013","78","","5587","5603","10.1021/jo400737f","","","0.71073","MoKα","","0.0479","0.0393","","","0.112","0.117","","","","","","1.1","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028322","12.618","0.003","14.4435","0.0019","18.344","0.003","90","","95.588","0.014","90","","3327.3","1.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H37 N O6 -","- C40 H37 N O6 -","- C160 H148 N4 O24 -","4","1","","Jingjing Liang; Weimin Hu; Pengyu Tao; Yanxing Jia","Total Synthesis of Dictyodendrins B and E","Journal of Organic Chemistry","2013","78","","5810","5815","10.1021/jo400841d","","","0.71073","MoKα","","0.1306","0.0555","","","0.0898","0.116","","","","","","1.06","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028323","11.9172","0.0016","13.957","0.004","14.318","0.002","104.652","0.018","97.656","0.014","90.99","0.02","2280.3","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H47 Cl2 N2 O7 -","- C54 H47 Cl2 N2 O7 -","- C108 H94 Cl4 N4 O14 -","2","1","","Jingjing Liang; Weimin Hu; Pengyu Tao; Yanxing Jia","Total Synthesis of Dictyodendrins B and E","Journal of Organic Chemistry","2013","78","","5810","5815","10.1021/jo400841d","","","0.71073","MoKα","","0.1036","0.0676","","","0.1263","0.1419","","","","","","1.076","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028324","10.0113","0.0005","11.3161","0.0006","17.9297","0.0009","90","","90","","90","","2031.24","0.18","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O2 S -","- C20 H26 N2 O2 S -","- C80 H104 N8 O8 S4 -","4","1","","Xiang-Wei Liu; Chao Wang; Yan Yan; Yong-Qiang Wang; Jian Sun","An Organocatalyst Bearing Stereogenic Carbon and Sulfur Centers as an Efficient Promoter for Enantioselective Hydrosilylation of 1,4-Benzooxazines","Journal of Organic Chemistry","2013","78","","6276","6280","10.1021/jo400187e","","","0.7107","MoKα","","0.0976","0.054","","","0.1104","0.1285","","","","","","0.993","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028325","19.431","0.005","11.786","0.003","11.53","0.003","90","","102.154","0.004","90","","2581.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 S7 Si2 -","- C22 H20 S7 Si2 -","- C88 H80 S28 Si8 -","4","1","","Huiliang Sun; Jianwu Shi; Zilong Zhang; Sheng Zhang; Zhaoli Liang; Shisheng Wan; Yanxiang Cheng; Hua Wang","Synthesis and Structure of Bull's Horn-Shaped Oligothienoacene with Seven Fused Thiophene Rings","Journal of Organic Chemistry","2013","78","","6271","6275","10.1021/jo4002036","","","0.71073","MoKα","","0.0928","0.048","","","0.1032","0.1228","","","","","","0.998","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028326","10.271","0.009","7.222","0.006","19.244","0.016","90","","90","","90","","1427","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Br S3 Si -","- C11 H11 Br S3 Si -","- C44 H44 Br4 S12 Si4 -","4","0.5","","Huiliang Sun; Jianwu Shi; Zilong Zhang; Sheng Zhang; Zhaoli Liang; Shisheng Wan; Yanxiang Cheng; Hua Wang","Synthesis and Structure of Bull's Horn-Shaped Oligothienoacene with Seven Fused Thiophene Rings","Journal of Organic Chemistry","2013","78","","6271","6275","10.1021/jo4002036","","","0.71073","MoKα","","0.0748","0.0507","","","0.1108","0.1145","","","","","","1.103","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028327","14.6149","0.0003","14.4589","0.0003","21.0849","0.0004","90","","109.251","0.008","90","","4206.4","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-fydroxy-3-oxo-5-phenyl-5-(pyridyn-2-yl)pentanoate zinc complex","","- C40 H46 Br2 N2 O10 Zn3 -","- C40 H46 Br2 N2 O10 Zn3 -","- C160 H184 Br8 N8 O40 Zn12 -","4","1","","Masahiro Mineno; Yasuhiro Sawai; Kazuaki Kanno; Naotaka Sawada; Hideya Mizufune","Double Reformatsky Reaction: Divergent Synthesis of δ-Hydroxy-β-ketoesters","Journal of Organic Chemistry","2013","78","","5843","5850","10.1021/jo400408t","","","1.54187","CuKα","","0.0487","0.045","","","","0.0944","","","","","","1.198","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028328","7.176","0.007","9.371","0.009","23.35","0.02","90","","90","","90","","1570","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H51 B F2 N2 O -","- C36 H51 B F2 N2 O -","- C72 H102 B2 F4 N4 O2 -","2","1","","Juan O. Flores-Rizo; Ixone Esnal; Carlos A. Osorio-Martínez; César F. A. Gómez-Durán; Jorge Bañuelos; Iñigo López Arbeloa; Keith H. Pannell; Alejandro J. Metta-Magaña; Eduardo Peña-Cabrera","8-Alkoxy- and 8-Aryloxy-BODIPYs: Straightforward Fluorescent Tagging of Alcohols and Phenols","Journal of Organic Chemistry","2013","78","","5867","5877","10.1021/jo400417h","","","0.71073","MoKα","","0.2527","0.1269","","","0.223","0.3782","","","","","","0.786","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028329","7.57","0.017","14.2","0.03","10.9","0.02","90","","106.63","0.05","90","","1123","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H27 B F2 N2 O2 -","- C27 H27 B F2 N2 O2 -","- C54 H54 B2 F4 N4 O4 -","2","1","","Juan O. Flores-Rizo; Ixone Esnal; Carlos A. Osorio-Martínez; César F. A. Gómez-Durán; Jorge Bañuelos; Iñigo López Arbeloa; Keith H. Pannell; Alejandro J. Metta-Magaña; Eduardo Peña-Cabrera","8-Alkoxy- and 8-Aryloxy-BODIPYs: Straightforward Fluorescent Tagging of Alcohols and Phenols","Journal of Organic Chemistry","2013","78","","5867","5877","10.1021/jo400417h","","","0.71073","MoKα","","0.1366","0.0692","","","0.1508","0.1833","","","","","","0.855","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028330","9.8209","0.0013","11.2394","0.0016","13.1369","0.0018","90","","107.284","0.01","90","","1384.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H41 N O5 S -","- C30 H41 N O5 S -","- C60 H82 N2 O10 S2 -","2","1","","Remya Ramesh; Pandrangi Siva Swaroop; Rajesh G. Gonnade; Choppari Thirupathi; Rebeccah A. Waterworth; Jocelyn G. Millar; D. Srinivasa Reddy","Syntheses and Determination of Absolute Configurations and Biological Activities of the Enantiomers of the Longtailed Mealybug Pheromone","Journal of Organic Chemistry","2013","78","","6281","6284","10.1021/jo400491n","","","0.71073","MoKα","","0.0954","0.0524","","","0.0902","0.1053","","","","","","0.996","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028331","16.8116","0.001","10.7857","0.0004","35.2377","0.0017","90","","90","","90","","6389.5","0.5","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C75 H53 B2 Cl3 F4 N10 O6 -","- C74 H52 B2 F4 N10 O6 -","- C296 H208 B8 F16 N40 O24 -","4","0.5","","Hemanta Kalita; Way-Zen Lee; Mangalampalli Ravikanth","Synthesis and Functionalization of BF2-Complexes of meso-Free 25-Oxasmaragdyrin","Journal of Organic Chemistry","2013","78","","6285","6290","10.1021/jo400540u","","","0.71073","MoKα","","0.1387","0.0662","","","0.1279","0.1504","","","","","","0.933","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028332","7.1373","0.0014","8.67","0.0017","11.027","0.002","106.43","0.003","91.316","0.004","103.592","0.003","633.2","0.2","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C28 H30 N6 O4 -","2","1","","Wei-Jen Lo; Yi-Hui Chen; Kuangsen Sung","Twisting-Based Spectroscopic Measure of Solvent Polarity: The PT Scale","Journal of Organic Chemistry","2013","78","","5925","5931","10.1021/jo400586w","","","0.71073","MoKα","","0.0995","0.055","","","0.1355","0.1534","","","","","","1.044","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028333","7.313","0.004","13.882","0.009","13.112","0.007","90","","98.647","0.001","90","","1316","1.3","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C60 H44 N12 O12 -","4","1","","Wei Zhang; Shaojie Lou; Yunkui Liu; Zhenyuan Xu","Palladium-Catalyzed Chelation-Assisted Aromatic C-H Nitration: Regiospecific Synthesis of Nitroarenes Free from the Effect of the Orientation Rules","Journal of Organic Chemistry","2013","78","","5932","5948","10.1021/jo400594j","","","0.71073","MoKα","","0.0744","0.0375","","","0.0892","0.1333","","","","","","1.001","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028334","9.6961","0.0005","11.2455","0.0006","12.1837","0.0006","104.865","0.004","92.658","0.004","100.365","0.004","1257.07","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 O3 P -","- C31 H27 O3 P -","- C62 H54 O6 P2 -","2","1","","Maozhong Miao; Jian Cao; Xian Huang; Luling Wu","Hydroxyphosphinylation Reaction of 3-Cyclopropylideneprop-2-en-1-ones via C-P σ-Bond Cleavage","Journal of Organic Chemistry","2013","78","","5999","6007","10.1021/jo400610q","","","0.71073","MoKα","","0.0771","0.0486","","","0.1081","0.1265","","","","","","1.03","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028335","9.8264","0.0006","9.845","0.0006","14.8604","0.0009","86.15","0.005","71.839","0.006","81.718","0.005","1351.37","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 O P -","- C34 H33 O P -","- C68 H66 O2 P2 -","2","1","","Maozhong Miao; Jian Cao; Xian Huang; Luling Wu","Hydroxyphosphinylation Reaction of 3-Cyclopropylideneprop-2-en-1-ones via C-P σ-Bond Cleavage","Journal of Organic Chemistry","2013","78","","5999","6007","10.1021/jo400610q","","","0.71073","MoKα","","0.0645","0.0443","","","0.0936","0.1042","","","","","","1.03","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028336","9.4609","0.0007","16.387","0.0014","16.619","0.0011","90","","102.115","0.007","90","","2519.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 O4 P -","- C31 H25 O4 P -","- C124 H100 O16 P4 -","4","1","","Maozhong Miao; Jian Cao; Xian Huang; Luling Wu","Hydroxyphosphinylation Reaction of 3-Cyclopropylideneprop-2-en-1-ones via C-P σ-Bond Cleavage","Journal of Organic Chemistry","2013","78","","5999","6007","10.1021/jo400610q","","","0.71073","MoKα","","0.1014","0.0586","","","0.1241","0.1474","","","","","","1.045","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028337","13.6406","0.0018","10.3114","0.0013","11.6169","0.0016","90","","94.785","0.004","90","","1628.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","0.5","","Claudio Martínez; Yichen Wu; Adam B. Weinstein; Shannon S. Stahl; Guosheng Liu; Kilian Muñiz","Palladium-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and the Influence of PhI(OAc)2 on Aminopalladation Stereoselectivity","Journal of Organic Chemistry","2013","78","","6309","6315","10.1021/jo400671q","","","0.71073","MoKα","","0.0688","0.055","","","0.1438","0.1503","","","","","","1.183","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028338","8.7085","0.0016","12.512","0.002","31.644","0.007","90","","90","","90","","3448","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","1","","Claudio Martínez; Yichen Wu; Adam B. Weinstein; Shannon S. Stahl; Guosheng Liu; Kilian Muñiz","Palladium-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and the Influence of PhI(OAc)2 on Aminopalladation Stereoselectivity","Journal of Organic Chemistry","2013","78","","6309","6315","10.1021/jo400671q","","","0.71073","MoKα","","0.1396","0.1143","","","0.226","0.2346","","","","","","1.285","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028339","20.8483","0.0016","10.69","0.0008","13.6039","0.0011","90","","107.394","0.001","90","","2893.2","0.4","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3aS*,4R*,7aS*)-4-(naphthalen-1-yl)hexahydro-2H-thieno[3,2-c]thiopyran","","- C17 H18 S2 -","- C17 H18 S2 -","- C136 H144 S16 -","8","2","","B. V. Subba Reddy; A. Venkateswarlu; Prashant Borkar; J. S. Yadav; M. Kanakaraju; A. C. Kunwar; B. Sridhar","Thia-Prins Bicyclization Approach for the Stereoselective Synthesis of Dithia- and Azathia-Bicycles","Journal of Organic Chemistry","2013","78","","6303","6308","10.1021/jo400680w","","","0.71073","MoKα","","0.0433","0.0357","","","0.0939","0.1003","","","","","","1.033","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028340","10.348","0.009","14.739","0.007","18.51","0.007","98.69","0.03","100.69","0.03","99.92","0.03","2683","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 S12 Si4 -","- C46 H40 S12 Si4 -","- C92 H80 S24 Si8 -","2","1","","Xinming Liu; Panpan Yu; Li Xu; Juanjuan Yang; Jianwu Shi; Zhihua Wang; Yanxiang Cheng; Hua Wang","Synthesis for the Mesomer and Racemate of Thiophene-Based Double Helicene under Irradiation","Journal of Organic Chemistry","2013","78","","6316","6321","10.1021/jo400691s","","","0.71073","MoKα","","0.1988","0.0825","","","0.157","0.1985","","","","","","1.087","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028341","9.3785","0.0004","14.7508","0.0005","18.4375","0.0008","90","","90.833","0.003","90","","2550.38","0.18","100","","100","","","","","","","","Synthesized by the authors. See text","3","C 1 c 1","C -2yc","9","","","","- C12 H24 O3 -","- C12 H24 O3 -","- C96 H192 O24 -","8","2","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.058","0.0507","","","0.1283","0.1329","","","","","","1.108","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028342","18.8892","0.0014","5.0802","0.0003","24.1881","0.0018","90","","99.713","0.004","90","","2287.8","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Br N O4 -","- C24 H30 Br N O4 -","- C96 H120 Br4 N4 O16 -","4","1","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.1471","0.0888","","","0.2211","0.2509","","","","","","1.034","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028343","15.8103","0.0008","5.1284","0.0003","30.3621","0.0017","90","","95.038","0.002","90","","2452.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Br N O4 -","- C26 H34 Br N O4 -","- C104 H136 Br4 N4 O16 -","4","1","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.0476","0.0388","","","0.1069","0.1116","","","","","","1.026","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028344","5.0201","0.0002","14.0677","0.0006","17.2224","0.0008","91.016","0.002","92.727","0.002","98.655","0.002","1200.67","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C25 H32 Br N O4 -","- C25 H32 Br N O4 -","- C50 H64 Br2 N2 O8 -","2","1","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.0327","0.0318","","","0.0853","0.0863","","","","","","1.045","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028345","5.6775","0.0002","25.0538","0.0008","10.3034","0.0003","90","","103.315","0.001","90","","1426.19","0.08","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","- C52 H92 N12 O12 -","4","1","","Amandine Altmayer-Henzien; Valérie Declerck; Denis Merlet; Jean-Pierre Baltaze; Jonathan Farjon; Régis Guillot; David J. Aitken","Solution State Conformational Preferences of Dipeptides Derived from N-Aminoazetidinecarboxylic Acid: An Assessment of the Hydrazino Turn","Journal of Organic Chemistry","2013","78","","6031","6039","10.1021/jo400736t","","x-ray","0.71073","MoKα","","0.0695","0.0432","","","0.1042","0.1169","","","","","","1.037","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028346","6.0714","0.0003","9.9275","0.0004","29.0711","0.0011","90","","90","","90","","1752.23","0.13","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N3 O5 -","- C15 H25 N3 O5 -","- C60 H100 N12 O20 -","4","1","","Amandine Altmayer-Henzien; Valérie Declerck; Denis Merlet; Jean-Pierre Baltaze; Jonathan Farjon; Régis Guillot; David J. Aitken","Solution State Conformational Preferences of Dipeptides Derived from N-Aminoazetidinecarboxylic Acid: An Assessment of the Hydrazino Turn","Journal of Organic Chemistry","2013","78","","6031","6039","10.1021/jo400736t","","","0.71073","MoKα","","0.0492","0.039","","","0.095","0.0999","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028347","5.9436","0.0004","24.018","0.002","5.9435","0.0005","90","","93.857","0.002","90","","846.53","0.12","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N3 O5 -","- C15 H25 N3 O5 -","- C30 H50 N6 O10 -","2","1","","Amandine Altmayer-Henzien; Valérie Declerck; Denis Merlet; Jean-Pierre Baltaze; Jonathan Farjon; Régis Guillot; David J. Aitken","Solution State Conformational Preferences of Dipeptides Derived from N-Aminoazetidinecarboxylic Acid: An Assessment of the Hydrazino Turn","Journal of Organic Chemistry","2013","78","","6031","6039","10.1021/jo400736t","","x-ray","0.71073","MoKα","","0.0378","0.0363","","","0.0908","0.0916","","","","","","1.062","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028348","7.657","0.0015","5.566","0.0011","16.401","0.003","90","","99.53","0.03","90","","689.3","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Jing Wang; Xiaohua Liu; Shunxi Dong; Lili Lin; Xiaoming Feng","Asymmetric Organocatalytic Cyclopropanation of Cinnamone Derivatives with Stabilized Sulfonium Ylides","Journal of Organic Chemistry","2013","78","","6322","6327","10.1021/jo400743b","","","1.54186","CuKα","","0.0492","0.048","","","0.1098","0.1103","","","","","","1.276","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028349","7.6397","0.0002","9.8963","0.0002","20.2534","0.0004","90","","90.154","0.001","90","","1531.25","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 I N5 -","- C15 H14 I N5 -","- C60 H56 I4 N20 -","4","1","","Pradeep Sadhu; Santhosh Kumar Alla; Tharmalingam Punniyamurthy","Pd(II)-Catalyzed Aminotetrazole-directed Ortho-Selective Halogenation of Arenes","Journal of Organic Chemistry","2013","78","","6104","6111","10.1021/jo400755q","","","0.71073","MoKα","","0.0396","0.0362","","","0.092","0.0938","","","","","","1.156","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028350","7.7724","0.0013","7.417","0.0006","12.6426","0.0013","90","","104.774","0.014","90","","704.72","0.16","297.1","0.1","297.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C30 H36 O12 -","2","1","","Bowen Fang; Xingang Xie; Changgui Zhao; Peng Jing; Huilin Li; Zhengshen Wang; Jixiang Gu; Xuegong She","Asymmetric Total Synthesis of Fusarentin 6-Methyl Ether and Its Biomimetic Transformation into Fusarentin 6,7-Dimethyl Ether, 7-O-Demethylmonocerin, and (+)-Monocerin","Journal of Organic Chemistry","2013","78","","6338","6343","10.1021/jo400760q","","","0.7107","MoKα","","0.0689","0.0475","","","0.0989","0.1137","","","","","","1.055","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028351","7.2522","0.0009","8.037","0.001","16.347","0.002","82.145","0.004","85.415","0.004","75.178","0.004","911.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O6 -","- C22 H16 N2 O6 -","- C44 H32 N4 O12 -","2","1","","Partha Pratim Ghosh; Asish R. Das","Nanocrystalline and Reusable ZnO Catalyst for the Assembly of Densely Functionalized 4H-Chromenes in Aqueous Medium via One-Pot Three Component Reactions: A Greener ""NOSE"" Approach","Journal of Organic Chemistry","2013","78","","6170","6181","10.1021/jo400763z","","","0.71073","MoKα","","0.0737","0.0567","","","0.2046","0.2164","","","","","","1.466","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028352","7.7696","0.0004","12.8766","0.0007","21.506","0.001","93.162","0.004","93.844","0.005","90.531","0.005","2143.3","0.19","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H56 O12 -","- C48 H56 O12 -","- C96 H112 O24 -","2","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0508","0.0434","","0.0799","0.0736","0.0799","","","","","","1.0325","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028353","11.3285","0.0005","12.499","0.0005","25.8161","0.0008","78.786","0.003","82.948","0.003","63.226","0.004","3198.6","0.2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H42 O9 -","- C36 H42 O9 -","- C144 H168 O36 -","4","2","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.044","0.0396","","0.0754","0.0716","0.0754","","","","","","0.9222","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028354","21.2637","0.0002","13.1046","0.0001","21.9793","0.0002","90","","102.336","0.0008","90","","5983.17","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H63 Cl9 O15 -","- C60 H63 Cl9 O15 -","- C240 H252 Cl36 O60 -","4","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0569","0.0543","","0.1514","0.1485","0.1514","","","","","","0.9885","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028355","12.429","0.001","12.697","0.001","20.361","0.001","84.869","0.006","82.376","0.006","61.765","0.008","2804.5","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H68 Cl2 O18 -","- C61 H68 Cl2 O18 -","- C122 H136 Cl4 O36 -","2","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0761","0.0637","","0.2174","0.1835","0.2174","","","","","","1.0827","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028356","18.7181","0.0004","12.5131","0.0003","21.9113","0.0006","90","","90.932","0.002","90","","5131.4","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cl2 O15 -","- C58 H62 Cl2 O15 -","- C232 H248 Cl8 O60 -","4","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0931","0.0783","","0.2487","0.2186","0.2487","","","","","","1.0159","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028357","11.919","0.002","14.984","0.003","16.757","0.003","90","","101.78","0.03","90","","2929.7","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Cl N2 O10 -","- C31 H31 Cl N2 O10 -","- C124 H124 Cl4 N8 O40 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.1409","0.1297","","","0.3429","0.3524","","","","","","1.193","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028358","12.278","0.003","14.793","0.003","16.961","0.003","90","","101.51","0.03","90","","3018.6","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl N2 O10 -","- C33 H33 Cl N2 O10 -","- C132 H132 Cl4 N8 O40 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.1012","0.0905","","","0.2036","0.2106","","","","","","1.207","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028359","12.096","0.002","16.361","0.003","15.6","0.003","90","","104.3","0.03","90","","2991.6","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl N2 O9 -","- C33 H33 Cl N2 O9 -","- C132 H132 Cl4 N8 O36 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.1121","0.0976","","","0.2352","0.2465","","","","","","1.147","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028360","12.346","0.003","16.964","0.003","15.303","0.003","90","","106.25","0.03","90","","3077","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl N2 O9 -","- C35 H35 Cl N2 O9 -","- C140 H140 Cl4 N8 O36 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","1.54178","CuKα","","0.1249","0.0923","","","0.2432","0.2611","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028361","11.2476","0.0005","11.9832","0.0006","12.3358","0.0004","81.865","0.003","76.573","0.003","63.038","0.005","1440.16","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 O4 S -","- C31 H30 N2 O4 S -","- C62 H60 N4 O8 S2 -","2","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.0576","0.0473","","","0.1357","0.142","","","","","","1.086","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028362","8.72","0.002","13.383","0.003","15.606","0.003","115.17","0.03","96.03","0.03","98.19","0.03","1603.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 N O4 -","- C12 H23.2 N0.8 O3.2 -","- C60 H116 N4 O16 -","5","2.5","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1377","0.0538","","","0.1069","0.1291","","","","","","1.069","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028363","30.456","0.006","8.4737","0.0017","13.944","0.003","90","","106.162","0.002","90","","3456.4","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C136 H200 N8 O40 -","8","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1175","0.0748","","","0.1888","0.2145","","","","","","1.038","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028364","8.41","0.005","8.707","0.006","10.62","0.007","101.173","0.006","103.851","0.006","90.396","0.006","739.6","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C30 H50 N2 O8 -","2","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.0758","0.0462","","","0.1094","0.1266","","","","","","1.048","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028365","8.186","0.016","23.09","0.05","8.398","0.017","90","","118.853","0.018","90","","1390","5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1266","0.0813","","","0.2102","0.2517","","","","","","1.055","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028366","15.235","0.016","7.7","0.008","14.339","0.015","90","","108.123","0.011","90","","1599","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.0921","0.0491","","","0.1167","0.139","","","","","","1.031","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028367","9.978","0.006","8.194","0.005","17.056","0.01","90","","95.767","0.007","90","","1387.4","1.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","2","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1468","0.077","","","0.1708","0.2098","","","","","","0.988","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028368","9.884","0.002","10.805","0.002","28.083","0.006","90","","90","","90","","2999.2","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl4 O3 P Ru -","- C30 H29 Cl4 O3 P Ru -","- C120 H116 Cl16 O12 P4 Ru4 -","4","1","","Ke Li; Naifu Hu; Renshi Luo; Weicheng Yuan; Wenjun Tang","A Chiral Ruthenium-Monophosphine Catalyst for Asymmetric Addition of Arylboronic Acids to Aryl Aldehydes","Journal of Organic Chemistry","2013","78","","6350","6355","10.1021/jo400850m","","","1.54178","CuKα","","0.031","0.0293","","","0.0704","0.0713","","","","","","1.043","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4028369","14.9082","0.0003","18.0949","0.0003","20.7986","0.0015","90","","90","","90","","5610.7","0.4","153.1","","153.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37.36 N O6.18 -","- C30 H37.36 N O6.18 -","- C240 H298.88 N8 O49.44 -","8","2","","Yuta Hashimoto; Kennosuke Itoh; Akikazu Kakehi; Motoo Shiro; Hiroyuki Suga","Diastereoselective Synthesis of Tetrahydrofurans by Lewis Acid Catalyzed Intermolecular Carbenoid-Carbonyl Reaction-Cycloaddition Sequences: Unusual Diastereoselectivity of Lewis Acid Catalyzed Cycloadditions","Journal of Organic Chemistry","2013","78","","6182","6195","10.1021/jo400858u","","","1.54187","CuKα","","","0.0619","","","","0.1601","","","","","","1.02","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028370","19.9063","0.0004","6.7658","0.0002","17.8716","0.0004","90","","101.317","0.0001","90","","2360.18","0.1","100","1","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 O2 -","- C12 H10 Cl2 O2 -","- C96 H80 Cl16 O16 -","8","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.059","0.0454","","","0.1151","0.1289","","","","","","1.07","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028371","7.4703","0.0004","20.2714","0.0011","9.2951","0.0004","90","","124.22","0.003","90","","1163.91","0.11","100","1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0474","0.0405","","","0.1183","0.125","","","","","","1.057","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028372","7.3159","0.0007","7.9854","0.0007","14.9576","0.0014","81.674","0.002","81.146","0.002","64.453","0.002","775.98","0.12","100","1","100","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C44 H40 O4 -","2","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0463","0.0421","","","0.1208","0.1254","","","","","","1.039","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028373","18.333","0.004","10.937","0.002","31.096","0.006","90","","90","","90","","6235","2","100","1","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C304 H320 O48 -","16","2","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0664","0.0451","","","0.1096","0.1256","","","","","","1.039","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028374","8.7207","0.0016","11.945","0.002","41.474","0.007","90","","90.02","0.003","90","","4320.3","1.3","100","1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C240 H192 O24 -","12","3","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.159","0.0587","","","0.1413","0.191","","","","","","0.962","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028375","7.4789","0.0001","8.308","0.0001","14.567","0.0003","91.789","0.001","95.857","0.001","102.457","0.001","877.87","0.02","100","1","100","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O5 -","- C22 H20 O5 -","- C44 H40 O10 -","2","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0742","0.0517","","","0.115","0.1304","","","","","","1.024","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028376","9.6495","0.0004","9.9895","0.0004","12.536","0.0005","72.726","0.001","82.333","0.001","81.619","0.001","1136.36","0.08","100","1","100","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H22 O4 -","- C31 H22 O4 -","- C62 H44 O8 -","2","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0421","0.036","","","0.0939","0.0995","","","","","","1.041","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028377","16.6507","0.0003","8.3279","0.0001","30.7761","0.0005","90","","90","","90","","4267.58","0.12","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 H58 -","- C60 H58 -","- C240 H232 -","4","0.5","","Koichi Murayama; Yayoi Sawada; Keiichi Noguchi; Ken Tanaka","Synthesis of Triphenylene Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition: Application to the Synthesis of Highly Fluorescent Triphenylene-Based Long Ladder Molecules","Journal of Organic Chemistry","2013","78","","6202","6210","10.1021/jo4008892","","","1.54187","CuKα","","0.0561","0.0432","","","0.1069","0.1181","","","","","","1.106","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028378","29.1077","0.0005","14.1829","0.0003","31.4298","0.0006","90","","92.468","0.001","90","","12963.2","0.4","193","2","193","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C82 H93 -","- C82 H93 -","- C656 H744 -","8","1","","Koichi Murayama; Yayoi Sawada; Keiichi Noguchi; Ken Tanaka","Synthesis of Triphenylene Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition: Application to the Synthesis of Highly Fluorescent Triphenylene-Based Long Ladder Molecules","Journal of Organic Chemistry","2013","78","","6202","6210","10.1021/jo4008892","","","1.54187","CuKα","","0.0968","0.0791","","","0.2445","0.2726","","","","","","1.122","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028379","6.6358","0.0003","6.8047","0.0004","25.913","0.001","90","","90","","90","","1170.09","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 O3 S -","- C12 H13 O3 S -","- C48 H52 O12 S4 -","4","1","","Gang Wang; Xia Chen; Gaohan Miao; Weijun Yao; Cheng Ma","Divergent NHC-Catalyzed Oxidative Transformations of 3-Bromoenal: Selective Synthesis of 2H-Pyran-2-ones and Chiral Dihydropyranones","Journal of Organic Chemistry","2013","78","","6223","6232","10.1021/jo400950j","","","0.71073","MoKα","","0.0704","0.0602","","","0.1813","0.1921","","","","","","1.104","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028380","14.8975","0.0016","7.3862","0.0004","30.776","0.003","90","","97.729","0.008","90","","3355.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16.375 H23.375 Cl1.125 N O2 -","- C16.375 H23.375 Cl1.125 N O2 -","- C131 H187 Cl9 N8 O16 -","8","2","","Mario Uosis-Martin; G. Dan Pantoş; Mary F. Mahon; Simon E. Lewis","A Model System for the Synthesis of Complanadine Alkaloids by ""Diverted Kondrat'eva"" Oxazole-Olefin Cycloaddition","Journal of Organic Chemistry","2013","78","","6253","6263","10.1021/jo401014n","","","1.54184","CuKα","","0.1397","0.1043","","","0.2796","0.3348","","","","","","1.108","","","","has coordinates,has disorder","302841","2025-10-09","10:02:19",""
"4028381","12.8334","0.0002","7.98785","0.00014","20.8843","0.0004","90","","99.1302","0.0009","90","","2113.75","0.06","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 N2 O3 S -","- C24 H18 F4 N2 O3 S -","- C96 H72 F16 N8 O12 S4 -","4","1","","Hidetsugu Tabata; Tetsuya Yoneda; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Stereochemistry of 1,5-Benzothiazepin-4-oneS-Oxide: Insight into the Stereogenic Elements at the Sulfur Atom and Axis","Journal of Organic Chemistry","2013","78","","6264","6270","10.1021/jo401020y","","","1.54187","CuKα","","","0.0429","","","","0.1198","","","","","","1.585","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028382","12.4476","0.0002","25.601","0.0004","8.0385","0.0001","90","","94.393","","90","","2554.11","0.07","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F4 N2 O4 S -","- C24 H18 F4 N2 O4 S -","- C96 H72 F16 N8 O16 S4 -","4","1","","Hidetsugu Tabata; Tetsuya Yoneda; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Stereochemistry of 1,5-Benzothiazepin-4-oneS-Oxide: Insight into the Stereogenic Elements at the Sulfur Atom and Axis","Journal of Organic Chemistry","2013","78","","6264","6270","10.1021/jo401020y","","","1.54187","CuKα","","","0.1517","","","","0.3664","","","","","","3.496","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028383","17.2631","0.0012","35.327","0.003","8.9843","0.0006","90","","90","","90","","5479.1","0.7","200","2","200","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C30 H32 N4 O3 -","- C30 H32 N4 O3 -","- C240 H256 N32 O24 -","8","","","Shokoofeh Maghari; Sorour Ramezanpour; Saeed Balalaie; Fatemeh Darvish; Frank Rominger; Hamid Reza Bijanzadeh","Synthesis of Functionalized Pseudopeptides through Five-Component Sequential Ugi/Nucleophilic Reaction of N-Substituted 2-Alkynamides with Hydrazides","Journal of Organic Chemistry","2013","78","","6450","6456","10.1021/jo4003294","","","0.71073","MoKα","","0.0459","0.0376","","","0.0951","0.1","","","","","","1.075","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028384","24.0196","0.0012","7.2186","0.0004","9.3086","0.0005","90","","99.49","0.001","90","","1591.91","0.15","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Chitra R. Edwankar; Rahul V. Edwankar; Ojas A. Namjoshi; Xuebin Liao; James M. Cook","Stereospecific Approach to the Synthesis of Ring-A Oxygenated Sarpagine Indole Alkaloids. Total Synthesis of the Dimeric Indole Alkaloid P-(+)-Dispegatrine and Six Other Monomeric Indole Alkaloids","Journal of Organic Chemistry","2013","78","","6471","6487","10.1021/jo400469t","","","0.71073","MoKα","","0.0345","0.0339","","","0.0928","0.0934","","","","","","0.861","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028385","8.2247","0.0004","12.0571","0.0006","26.649","0.001","90","","90","","90","","2642.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I N2 O5 -","- C27 H31 I N2 O5 -","- C108 H124 I4 N8 O20 -","4","1","","Chitra R. Edwankar; Rahul V. Edwankar; Ojas A. Namjoshi; Xuebin Liao; James M. Cook","Stereospecific Approach to the Synthesis of Ring-A Oxygenated Sarpagine Indole Alkaloids. Total Synthesis of the Dimeric Indole Alkaloid P-(+)-Dispegatrine and Six Other Monomeric Indole Alkaloids","Journal of Organic Chemistry","2013","78","","6471","6487","10.1021/jo400469t","","","0.71073","MoKα","","0.0315","0.0301","","","0.075","0.0756","","","","","","1.071","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028386","18.5929","0.0017","18.5929","0.0017","14.0338","0.0005","90","","90","","120","","4201.5","0.6","292","0.2","292","0.2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C21 H19 Br2 N O6 -","- C21 H19 Br2 N O6 -","- C126 H114 Br12 N6 O36 -","6","1","","Zhen-Xin Jia; Yong-Chun Luo; Xi-Na Cheng; Peng-Fei Xu; Yu-Cheng Gu","Organocatalyzed Michael-Michael Cascade Reaction: Asymmetric Synthesis of Polysubstituted Chromans","Journal of Organic Chemistry","2013","78","","6488","6494","10.1021/jo400476b","","","1.5418","CuKα","","0.0488","0.0366","","","0.1032","0.113","","","","","","0.938","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028387","10.7896","0.0003","8.387","0.0002","21.8671","0.0005","90","","96.133","0.002","90","","1967.48","0.09","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 O P -","- C27 H19 O P -","- C108 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0782","0.0459","","","0.1203","0.1406","","","","","","1.03","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028388","21.6911","0.0005","11.2523","0.0003","7.7378","0.0002","90","","102.734","0.002","90","","1842.15","0.08","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C25 H19 O P -","- C25 H19 O P -","- C100 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0335","0.0301","","","0.0738","0.076","","","","","","1.042","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028389","7.8304","0.0001","22.5042","0.0002","21.5517","0.0003","90","","91.894","0.001","90","","3795.7","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 O2 P -","- C23 H21 O2 P -","- C184 H168 O16 P8 -","8","2","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0995","0.0724","","","0.1756","0.19","","","","","","1.096","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028390","7.9797","0.0003","10.5497","0.0003","20.7707","0.0007","100.503","0.002","91.237","0.002","90.268","0.002","1718.79","0.1","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C23 H17 O P -","- C23 H17 O P -","- C92 H68 O4 P4 -","4","2","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.1006","0.0591","","","0.1298","0.1466","","","","","","1.072","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028391","12.9383","0.0003","9.6592","0.0003","14.2936","0.0004","90","","100.965","0.001","90","","1753.71","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H19 O P -","- C24 H19 O P -","- C96 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0688","0.0563","","","0.1309","0.1367","","","","","","1.101","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028392","9.0028","0.0009","22.187","0.002","9.7931","0.001","90","","110.278","0.002","90","","1834.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","2","","Xiao-Fei Yang; Wei-Hua Yu; Chang-Hua Ding; Qiu-Ping Ding; Shi-Li Wan; Xue-Long Hou; Li-Xin Dai; Pin-Jie Wang","Palladium-Catalyzed Regio-, Diastereo-, and Enantioselective Allylation of Nitroalkanes with Monosubstituted Allylic Substrates","Journal of Organic Chemistry","2013","78","","6503","6509","10.1021/jo400663d","","","0.71073","MoKα","","0.0932","0.0463","","","0.1067","0.1265","","","","","","0.978","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028393","5.8114","0.0005","10.6834","0.0009","32.091","0.003","90","","90","","90","","1992.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Fe2 O2 S2 -","- C22 H22 Fe2 O2 S2 -","- C88 H88 Fe8 O8 S8 -","4","1","","Noureddine Khiar; Álvaro Salvador; Victoria Valdivia; Ahmed Chelouan; Ana Alcudia; Eleuterio Álvarez; Inmaculada Fernández","Flexible C2-Symmetric Bis-Sulfoxides as Ligands in Enantioselective 1,4-Addition of Boronic Acids to Electron-Deficient Alkenes","Journal of Organic Chemistry","2013","78","","6510","6521","10.1021/jo400700m","","","0.71073","MoKα","","0.027","0.0241","","","0.0571","0.0584","","","","","","1.052","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028394","11.118","0.003","11.118","0.003","34.896","0.013","90","","90","","90","","4313","2","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C44 H44 Cl2 Fe4 O4 Rh2 S4 -","- C44 H44 Cl2 Fe4 O4 Rh2 S4 -","- C176 H176 Cl8 Fe16 O16 Rh8 S16 -","4","0.5","","Noureddine Khiar; Álvaro Salvador; Victoria Valdivia; Ahmed Chelouan; Ana Alcudia; Eleuterio Álvarez; Inmaculada Fernández","Flexible C2-Symmetric Bis-Sulfoxides as Ligands in Enantioselective 1,4-Addition of Boronic Acids to Electron-Deficient Alkenes","Journal of Organic Chemistry","2013","78","","6510","6521","10.1021/jo400700m","","","0.71073","MoKα","","0.0631","0.0362","","","0.0652","0.0878","","","","","","1.146","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028395","11.2336","0.0007","6.569","0.0005","23.8716","0.0019","90","","102.137","0.003","90","","1722.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Cl N O4 -","- C17 H24 Cl N O4 -","- C68 H96 Cl4 N4 O16 -","4","2","","Sarvesh Kumar; Paul D. Thornton; Thomas O. Painter; Prashi Jain; Jared Downard; Justin T. Douglas; Conrad Santini","Synthesis of a Family of Spirocyclic Scaffolds: Building Blocks for the Exploration of Chemical Space","Journal of Organic Chemistry","2013","78","","6529","6539","10.1021/jo400738b","","","1.54178","CuKα","","0.0597","0.0454","","","0.1029","0.109","","","","","","1.05","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028396","6.0662","0.0002","8.1707","0.0002","16.892","0.0005","103.88","0.002","92.202","0.002","95.783","0.002","806.97","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cl N O4 -","- C16 H22 Cl N O4 -","- C32 H44 Cl2 N2 O8 -","2","1","","Sarvesh Kumar; Paul D. Thornton; Thomas O. Painter; Prashi Jain; Jared Downard; Justin T. Douglas; Conrad Santini","Synthesis of a Family of Spirocyclic Scaffolds: Building Blocks for the Exploration of Chemical Space","Journal of Organic Chemistry","2013","78","","6529","6539","10.1021/jo400738b","","","1.54178","CuKα","","0.0372","0.0341","","","0.089","0.0914","","","","","","1.041","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028397","7.9645","0.0005","10.1854","0.0007","11.7036","0.0008","83.261","0.001","79.546","0.001","78.393","0.001","911.34","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-Fluoro-3,3-dimethyl-1,3-dihydro-1λ^3^-benzo[<i>d</i>][1,2]iodoxole","","- C9 H10 F I O -","- C9 H10 F I O -","- C36 H40 F4 I4 O4 -","4","2","","Václav Matoušek; Ewa Pietrasiak; Rino Schwenk; Antonio Togni","One-Pot Synthesis of Hypervalent Iodine Reagents for Electrophilic Trifluoromethylation","Journal of Organic Chemistry","2013","78","","6763","6768","10.1021/jo400774u","","","0.71073","MoKα","","0.0341","0.0226","","","0.0445","0.0474","","","","","","1.02","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028398","13.1415","0.0013","11.408","0.0011","9.324","0.0009","90","","107.601","0.002","90","","1332.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N6 O6 S -","- C12 H4 N6 O6 S -","- C48 H16 N24 O24 S4 -","4","1","","Leticia A. Montoya; Taylor F. Pearce; Ryan J. Hansen; Lev N. Zakharov; Michael D. Pluth","Development of Selective Colorimetric Probes for Hydrogen Sulfide Based on Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","6550","6557","10.1021/jo4008095","","","0.71073","MoKα","","0.036","0.0319","","","0.0825","0.0863","","","","","","1.054","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028399","9.663","0.003","10.404","0.003","24.867","0.006","90.607","0.004","90.794","0.004","99.582","0.004","2464.6","1.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H52 Cl4 N4 S2 -","- C54 H52 Cl4 N4 S2 -","- C108 H104 Cl8 N8 S4 -","2","1","","Ramachandra Reddy Donthiri; Venkatanarayana Pappula; Darapaneni Chandra Mohan; Hiren H. Gaywala; Subbarayappa Adimurthy","Sodium Hydroxide Catalyzed N-Alkylation of (Hetero) Aromatic Primary Amines and N1,C5-Dialkylation of 4-Phenyl-2-aminothiazoles with Benzyl Alcohols","Journal of Organic Chemistry","2013","78","","6775","6781","10.1021/jo400834h","","","0.71073","MoKα","","0.0752","0.0655","","","0.165","0.1719","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028400","12.9484","0.0006","9.9797","0.0003","11.131","0.0004","90","","113.437","0.005","90","","1319.69","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N O4 S -","- C10 H20 N O4 S -","- C40 H80 N4 O16 S4 -","4","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0508","0.0405","","","0.1059","0.1126","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028401","6.3108","0.0003","21.6752","0.0008","11.2066","0.0005","90","","119.167","0.003","90","","1338.56","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H21 N2 O3 S -","- C10 H21 N2 O3 S -","- C40 H84 N8 O12 S4 -","4","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0412","0.0383","","","0.1241","0.1269","","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028402","7.8821","0.0008","11.6183","0.0007","10.8273","0.0008","90","","111.059","0.01","90","","925.3","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H33 N3 O2 -","- C17 H33 N3 O2 -","- C34 H66 N6 O4 -","2","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0427","0.0386","","","0.1015","0.1046","","","","","","1.046","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028403","11.8431","0.0001","11.8431","0.0001","19.1284","0.0004","90","","90","","90","","2682.93","0.06","293","2","293","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C20 H39 N3 O4 -","- C10 H19.5 N1.5 O2 -","- C80 H156 N12 O16 -","8","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","1.54184","CuKα","","0.0397","0.037","","","0.1086","0.1114","","","","","","1.095","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028404","41.4219","0.0012","21.0998","0.0006","10.1443","0.0003","90","","90","","90","","8866.1","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C19 H37 N3 O4 S -","- C19 H37 N3 O4 S -","- C304 H592 N48 O64 S16 -","16","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0357","0.0351","","","0.0961","0.0967","","","","","","1.043","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028405","7.0843","0.0005","8.9087","0.0006","24.7678","0.0018","88.059","0.0008","89.276","0.0009","88.0016","0.0009","1561.19","0.19","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H44 N4 O7 Si2 -","- C25 H44 N4 O7 Si2 -","- C50 H88 N8 O14 Si4 -","2","2","","Vi Tuong Tran; K. A. Woerpel","Nucleophilic Addition to Silyl-Protected Five-Membered Ring Oxocarbenium Ions Governed by Stereoelectronic Effects","Journal of Organic Chemistry","2013","78","","6609","6621","10.1021/jo400945j","","","0.71073","MoKα","","0.0498","0.0464","","","0.1216","0.1251","","","","","","1.018","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028406","24.0157","0.0013","8.1309","0.0004","16.5638","0.0009","90","","100.094","0.001","90","","3184.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 N4 O7 Si2 -","- C26.0016 H46.0036 N4 O7 Si2 -","- C104.006 H184.014 N16 O28 Si8 -","4","1","","Vi Tuong Tran; K. A. Woerpel","Nucleophilic Addition to Silyl-Protected Five-Membered Ring Oxocarbenium Ions Governed by Stereoelectronic Effects","Journal of Organic Chemistry","2013","78","","6609","6621","10.1021/jo400945j","","","0.71073","MoKα","","0.0511","0.0436","","","0.1115","0.1167","","","","","","1.067","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028407","22.418","0.006","7.659","0.0019","18.298","0.005","90","","100.87","0.004","90","","3085.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 N4 O8 Si2 -","- C26 H44 N4 O8 Si2 -","- C104 H176 N16 O32 Si8 -","4","1","","Vi Tuong Tran; K. A. Woerpel","Nucleophilic Addition to Silyl-Protected Five-Membered Ring Oxocarbenium Ions Governed by Stereoelectronic Effects","Journal of Organic Chemistry","2013","78","","6609","6621","10.1021/jo400945j","","","0.71073","MoKα","","0.1617","0.0933","","","0.2181","0.2357","","","","","","1.033","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028408","11.3784","0.0019","5.7382","0.0008","13.148","0.003","90","","114.27","0.02","90","","782.6","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","aminopropenol","Heterocycles","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Akhilesh K. Verma; Deepak Choudhary; Rakesh K. Saunthwal; Vineeta Rustagi; Monika Patel; Rakesh K. Tiwari","On Water: Silver-Catalyzed Domino Approach for the Synthesis of Benzoxazine/Oxazine-Fused Isoquinolines and Naphthyridines from o-Alkynyl Aldehydes","Journal of Organic Chemistry","2013","78","","6657","6669","10.1021/jo4009639","","","0.71073","MoKα","","0.0664","0.0503","","","0.105","0.1157","","","","","","1.055","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028409","9.0484","0.0002","12.2605","0.0004","11.764","0.0003","90","","100.383","0.003","90","","1283.7","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Compound-9","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Pravat Mondal; Narshinha P. Argade","Enantioselective Total Synthesis of Desbromoarborescidines A-C and the Formal Synthesis of (S)-Deplancheine","Journal of Organic Chemistry","2013","78","","6802","6808","10.1021/jo401079v","","","0.7107","MoKα","","0.0606","0.0509","","","0.1604","0.1717","","","","","","1.168","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028410","8.1929","0.0012","12.7166","0.0019","12.7229","0.0019","108.994","0.002","94.057","0.002","96.092","0.002","1238.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl N3 O -","- C12 H14 Cl N3 O -","- C48 H56 Cl4 N12 O4 -","4","2","","Tjøstil Vlaar; Pieter Mampuys; Madeleine Helliwell; Bert U. W. Maes; Romano V. A. Orru; Eelco Ruijter","Multicomponent Synthesis of 4-Aminophthalazin-1(2H)-ones by Palladium-Catalyzed Isocyanide Insertion","Journal of Organic Chemistry","2013","78","","6735","6745","10.1021/jo401131p","","","0.71073","MoKα","","0.0413","0.0377","","","0.0966","0.0993","","","","","","1.074","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028412","6.2411","0.0004","15.4844","0.0009","22.3655","0.0015","90","","90","","90","","2161.4","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F2 N O4 -","- C24 H23 F2 N O4 -","- C96 H92 F8 N4 O16 -","4","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.062","0.0407","","","0.0923","0.1053","","","","","","1.038","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028413","7.845","0.0002","11.3855","0.0003","27.6202","0.0007","90","","90","","90","","2467.02","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 F2 N O3 -","- C31 H25 F2 N O3 -","- C124 H100 F8 N4 O12 -","4","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.044","0.0349","","","0.0881","0.0944","","","","","","1.041","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028414","10.7715","0.0005","9.7199","0.0005","12.6088","0.0007","90","","104.709","0.004","90","","1276.85","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H25 F2 N O4 -","- C31 H25 F2 N O4 -","- C62 H50 F4 N2 O8 -","2","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.1011","0.0699","","","0.1645","0.1896","","","","","","1.245","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028415","5.5792","0.0007","7.6582","0.0004","14.7901","0.0014","90","","90","","90","","631.93","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","","Tatyana S. Shestakova; Zakhar O. Shenkarev; Sergey L. Deev; Oleg N. Chupakhin; Igor A. Khalymbadzha; Vladimir L. Rusinov; Alexander S. Arseniev","Long-Range 1H-15N J Couplings Providing a Method for Direct Studies of the Structure and Azide-Tetrazole Equilibrium in a Series of Azido-1,2,4-triazines and Azidopyrimidines","Journal of Organic Chemistry","2013","78","","6975","6982","10.1021/jo4008207","","","0.71073","MoKα","","0.0423","0.0292","","","0.0711","0.073","","","","","","1","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028416","10.4","0.001","19.0495","0.0017","7.6075","0.0007","90","","90","","90","","1507.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H27 Li N2 O2 -","- C12 H27 Li N2 O2 -","- C48 H108 Li4 N8 O8 -","4","1","","Chicheung Su; Russell Hopson; Paul G. Williard","Crystal Structure and Solution State Characterization of Lithium (S)-(1-(Bis(2-methoxyethyl)amino)-3-methylbutan-2-yl)(methyl)amide","Journal of Organic Chemistry","2013","78","","7288","7292","10.1021/jo400839q","","","0.71073","","","0.0448","0.0388","","","0.1005","0.1069","","","","","","1.054","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028417","7.643","0.0015","11.316","0.002","15.823","0.003","90","","90","","90","","1368.5","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C52 H80 O20 -","4","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0354","0.0347","","","0.0913","0.0923","","","","","","1.09","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028418","7.2552","0.0015","5.7296","0.0011","14.708","0.003","90","","98.35","0.03","90","","604.9","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C24 H36 O10 -","2","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0584","0.0576","","","0.1474","0.1496","","","","","","1.058","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028419","5.336","","25.071","","29.472","","90","","90","","90","","3942.73","","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C144 H240 O48 -","12","3","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.144","0.075","","","0.1743","0.2226","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028420","8.535","0.001","5.571","0.001","13.141","0.001","90","","91.78","0.001","90","","624.53","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C24 H40 O8 -","2","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0733","0.0707","","","0.2167","0.223","","","","","","1.082","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028421","10.0993","0.0011","9.4276","0.0009","14.6656","0.0011","90","","90.076","0.006","90","","1396.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-ethoxy-1,2-oxaphosphinan-3-ol","","- C28 H36 B O6 P -","- C28 H36 B O6 P -","- C56 H72 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.0412","0.0354","","","0.0873","0.0976","","","","","","1.09","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028422","11.0937","0.001","10.0847","0.0009","12.7293","0.0011","90","","105.853","0.007","90","","1369.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3R,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-methoxy-1,2-oxaphosphinan-3-ol","","- C27 H34 B O6 P -","- C27 H34 B O6 P -","- C54 H68 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.1022","0.0669","","","0.1492","0.201","","","","","","1.137","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028423","9.9154","0.0007","9.5092","0.0006","14.515","0.0011","90","","91.09","0.006","90","","1368.34","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-methoxy-1,2-oxaphosphinan-3-ol","","- C27 H34 B O6 P -","- C27 H34 B O6 P -","- C54 H68 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.0681","0.0427","","","0.0982","0.1322","","","","","","1.142","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028424","10.7117","0.0004","7.4436","0.0002","13.429","0.0005","90","","99.092","0.002","90","","1057.29","0.06","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 F N O5 S -","- C21 H24 F N O5 S -","- C42 H48 F2 N2 O10 S2 -","2","1","","Mari Fe Flores; Pilar García-García; Narciso M. Garrido; Isidro S. Marcos; Francisca Sanz-González; David Díez","Domino Elimination/Nucleophilic Addition in the Synthesis of Chiral Pyrrolidines","Journal of Organic Chemistry","2013","78","","7068","7075","10.1021/jo400873c","","","1.54178","CuKα","","0.034","0.0317","","","0.0722","0.0738","","","","","","1.079","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028425","10.3409","0.0003","10.4801","0.0004","15.8279","0.0005","85.762","0.003","88.992","0.003","73.461","0.003","1639.85","0.1","115","0.2","115","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 B F4 Ir N4 O2 -","- C36 H36 B F4 Ir N4 O2 -","- C72 H72 B2 F8 Ir2 N8 O4 -","2","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","0.7107","MoKα","","0.0376","0.0337","","","0.0807","0.0831","","","","","","1.039","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028426","5.8521","0.0002","8.9267","0.0003","13.1255","0.0005","98.92","0.003","91.029","0.003","96.137","0.003","673.08","0.04","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C36 H24 N4 O4 -","2","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","1.5418","CuKα","","0.0334","0.0324","","","0.0867","0.0878","","","","","","1.048","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028427","13.547","0.0002","14.1554","0.0002","19.7922","0.0003","90","","96.101","0.002","90","","3773.92","0.1","130","0.2","130","0.2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 B Cl2 F4 Ir N4 O2 -","- C41 H30 B Cl2 F4 Ir N4 O2 -","- C164 H120 B4 Cl8 F16 Ir4 N16 O8 -","4","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","0.7107","MoKα","","0.0421","0.0295","","","0.0607","0.0664","","","","","","1.018","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028428","21.8354","0.0007","12.8132","0.0004","7.0674","0.0002","90","","92.155","0.003","90","","1975.93","0.1","130","0.2","130.2","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br N2 O5 Re -","- C21 H12 Br N2 O5 Re -","- C84 H48 Br4 N8 O20 Re4 -","4","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","1.5418","CuKα","","0.047","0.0431","","","0.1173","0.1193","","","","","","1.087","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028429","7.409","0.002","9.477","0.002","16.798","0.004","90","","93.504","0.015","90","","1177.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 B Cl F2 N2 O -","- C12 H8 B Cl F2 N2 O -","- C48 H32 B4 Cl4 F8 N8 O4 -","4","1","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.0771","0.0495","","","0.1131","0.1274","","","","","","1.055","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028430","8.092","0.003","18.482","0.005","10.059","0.004","90","","109.344","0.015","90","","1419.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 B Cl F5 N2 O -","- C13 H7 B Cl F5 N2 O -","- C52 H28 B4 Cl4 F20 N8 O4 -","4","1","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.0779","0.0609","","","0.1538","0.167","","","","","","1.069","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028431","6.6641","0.0009","9.977","0.003","11.0105","0.0019","88.7","0.03","78.29","0.02","89.33","0.02","716.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H13 B Cl F2 N3 O -","- C14 H13 B Cl F2 N3 O -","- C28 H26 B2 Cl2 F4 N6 O2 -","2","1","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.056","0.0406","","","0.095","0.1039","","","","","","1.034","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028432","7.175","0.007","7.22","0.007","17.702","0.017","90","","94.824","0.013","90","","913.8","1.5","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H14 B2 F4 N2 O2 -","- C20 H14 B2 F4 N2 O2 -","- C40 H28 B4 F8 N4 O4 -","2","0.5","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.0774","0.0513","","","0.1155","0.1294","","","","","","1.044","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028433","9.0559","0.0003","6.2328","0.0001","12.1773","0.0003","90","","103.658","0.0015","90","","667.9","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0326","0.0282","","0.0693","0.068","0.0693","","","","","","0.9277","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028434","8.6862","0.0001","11.1107","0.0002","26.1274","0.0004","90","","90","","90","","2521.55","0.07","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","2","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0429","0.0356","","0.0901","0.0876","0.0901","","","","","","0.9581","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028435","7.825","0.0002","8.9113","0.0002","18.7892","0.0005","90","","90","","90","","1310.19","0.06","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0415","0.0332","","0.0823","0.0806","0.0823","","","","","","0.9131","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028436","6.2161","0.0001","11.6949","0.0002","9.3974","0.0002","90","","105.481","0.0013","90","","658.37","0.02","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C26 H38 N6 O4 -","2","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.038","0.0295","","0.0677","0.0658","0.0677","","","","","","0.8683","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028437","19.18","0.05","9.99","0.03","7.58","0.02","90","","94.11","0.03","90","","1449","7","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Shou-Jie Shen; Wei-Dong Z. Li","Formal Homoiodo Allylsilane Annulations: Dual Total Syntheses of (\±)-Hirsutene and (\±)-Capnellene","Journal of Organic Chemistry","2013","78","","7112","7120","10.1021/jo4009854","","","0.71073","MoKα","","0.1573","0.1117","","","0.3156","0.3815","","","","","","0.96","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028438","11.002","0.004","24.264","0.008","9.485","0.003","90","","123.324","0.014","90","","2115.7","1.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H28 Br N O2 -","- C22 H28 Br N O2 -","- C88 H112 Br4 N4 O8 -","4","1","","Shou-Jie Shen; Wei-Dong Z. Li","Formal Homoiodo Allylsilane Annulations: Dual Total Syntheses of (\±)-Hirsutene and (\±)-Capnellene","Journal of Organic Chemistry","2013","78","","7112","7120","10.1021/jo4009854","","","0.71073","MoKα","","0.0605","0.0358","","","0.0692","0.0766","","","","","","0.985","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028439","11.473","0.007","13.103","0.005","13.176","0.006","60.725","0.004","77.663","0.006","73.088","0.005","1647","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H43 N O6 S Si -","- C31 H43 N O6 S Si -","- C62 H86 N2 O12 S2 Si2 -","2","1","","Manas K. Ghorai; Deo Prakash Tiwari; Nikita Jain","Lewis Acid Catalyzed SN2-Type Ring Opening of N-Activated Aziridines with Electron-Rich Arenes/Heteroarenes","Journal of Organic Chemistry","2013","78","","7121","7130","10.1021/jo401028j","","","0.71073","MoKα","","0.1272","0.1054","","","0.2721","0.2989","","","","","","1.084","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028440","5.86578","0.00013","14.3542","0.0004","12.3044","0.0003","90","","98.1422","0.0015","90","","1025.57","0.04","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O S -","- C13 H9 N O S -","- C52 H36 N4 O4 S4 -","4","1","","Zhen Wang; Yoichiro Kuninobu; Motomu Kanai","Copper-Catalyzed Intramolecular N-S Bond Formation by Oxidative Dehydrogenative Cyclization","Journal of Organic Chemistry","2013","78","","7337","7342","10.1021/jo401056g","","","1.54187","CuKα","","","0.0552","","","","0.1423","","","","","","1.115","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028441","5.7853","0.0002","12.5191","0.0004","15.3075","0.0005","78.699","0.001","88.466","0.001","84.409","0.001","1081.97","0.06","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C23 H25 I O3 -","- C23 H25 I O3 -","- C46 H50 I2 O6 -","2","1","","Maiwenn Jacolot; Mickael Jean; Naresh Tumma; Arnaud Bondon; Srivari Chandrasekhar; Pierre van de Weghe","Synthesis of Stachybotrin C and All of Its Stereoisomers: Structure Revision","Journal of Organic Chemistry","2013","78","","7169","7175","10.1021/jo401116r","","x-ray","0.71073","MoKα","","0.127","0.0691","","","0.1213","0.1438","","","","","","1.076","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028442","9.5784","0.0004","12.4773","0.0005","17.9818","0.0008","73.87","0.002","78.263","0.002","77.712","0.002","1993.18","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H20 Cl3 N O3 -","- C20 H20 Cl3 N O3 -","- C80 H80 Cl12 N4 O12 -","4","2","","Mark W. Grafton; Louis J. Farrugia; Andrew Sutherland","Synthesis of Amino-Substituted Indanes and Tetralins via Consecutive Multibond-Forming Tandem Processes","Journal of Organic Chemistry","2013","78","","7199","7207","10.1021/jo401182r","","x-ray","0.71073","MoKα","","0.0697","0.0544","","","0.146","0.1541","","","","","","1.033","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028443","19.19","0.003","13.797","0.002","19.557","0.002","90","","120.635","0.011","90","","4455.3","1.2","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C85 H14 S2 -","- C85 H14 S2 -","- C340 H56 S8 -","4","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.2668","0.1412","","","0.2409","0.2877","","","","","","1.188","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028444","50.558","0.003","10.0753","0.0006","20.1387","0.0012","90","","90","","90","","10258.4","1.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C86 H12 Br2 S4 -","- C86 H12 Br2 S4 -","- C688 H96 Br16 S32 -","8","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.1158","0.0717","","","0.1791","0.2041","","","","","","1.053","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028445","14.002","0.0008","10.9052","0.0005","30.6099","0.0016","90","","98.829","0.001","90","","4618.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C85 H12 Br2 S2 -","- C85 H12 Br2 S2 -","- C340 H48 Br8 S8 -","4","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.1481","0.0857","","","0.2337","0.2714","","","","","","1.104","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028446","10.7742","0.0008","11.1529","0.0009","20.303","0.0016","98.824","0.001","104.7","0.001","101.071","0.001","2262.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C84.5 H12 Br2 S -","- C84.5 H12 Br2 S -","- C169 H24 Br4 S2 -","2","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.1063","0.0641","","","0.1638","0.186","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028447","8.526","0.005","7.988","0.005","13.822","0.005","90","0.005","102.748","0.005","90","0.005","918.2","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C40 H38 N2 O8 S2 -","2","1","","S. Vijay Kumar; G. Parameshwarappa; H. Ila","Synthesis of 2,4,5-Trisubstituted Thiazoles via Lawesson's Reagent-Mediated Chemoselective Thionation-Cyclization of Functionalized Enamides","Journal of Organic Chemistry","2013","78","","7362","7369","10.1021/jo401208u","","","0.71073","MoKα","","0.0452","0.0335","","","0.0734","0.078","","","","","","0.814","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028448","6.1709","0.0002","10.0287","0.0003","29.5929","0.0007","90","","94.779","0.001","90","","1825.02","0.09","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F2 N2 O S -","- C22 H14 F2 N2 O S -","- C88 H56 F8 N8 O4 S4 -","4","1","","S. Vijay Kumar; G. Parameshwarappa; H. Ila","Synthesis of 2,4,5-Trisubstituted Thiazoles via Lawesson's Reagent-Mediated Chemoselective Thionation-Cyclization of Functionalized Enamides","Journal of Organic Chemistry","2013","78","","7362","7369","10.1021/jo401208u","","","0.71073","MoKα","","0.0767","0.0435","","","0.1231","0.1533","","","","","","1.075","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028449","10.162","0.003","9.184","0.0003","14.8983","0.0011","90","","109.542","0.009","90","","1310.3","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C52 H80 O20 -","4","1","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0523","0.0429","","","0.1076","0.1122","","","","","","1.111","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028450","7.1037","0.0003","19.0334","0.0008","10.0969","0.0007","90","","107.43","0.008","90","","1302.49","0.13","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C52 H80 O20 -","4","0.5","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0392","0.0368","","","0.0992","0.1017","","","","","","1.102","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028451","13.6486","0.0004","9.0116","0.0003","10.8608","0.0008","90","","99.909","0.007","90","","1315.9","0.12","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","0.5","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0394","0.0373","","","0.1014","0.1033","","","","","","1.073","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028452","7.9072","0.0004","8.6722","0.0004","11.1569","0.0008","106.68","0.007","99.245","0.007","111.357","0.008","651.69","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C26 H40 O8 -","2","1","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0551","0.0511","","","0.1338","0.137","","","","","","1.105","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028453","11.5447","0.0008","21.013","0.0014","22.4743","0.0015","90","","101.771","0.001","90","","5337.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N8 O4 Pd2 -","- C60 H48 N8 O4 Pd2 -","- C240 H192 N32 O16 Pd8 -","4","1","","Raghu Ram Chamala; Damon Parrish; Padmanava Pradhan; Mahesh K. Lakshman","Purinyl N1-Directed Aromatic C-H Oxidation in 6-Arylpurines and 6-Arylpurine Nucleosides","Journal of Organic Chemistry","2013","78","","7423","7435","10.1021/jo4008282","","","0.71073","MoKα","","0.0998","0.0645","","","0.1663","0.1925","","","","","","1.039","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028454","8.102","0.002","10.608","0.003","12.154","0.003","84.335","0.005","84.569","0.005","70.466","0.005","977.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(9-benzyl-9H-purin-6-yl)naphthalen-2-yl acetate","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Raghu Ram Chamala; Damon Parrish; Padmanava Pradhan; Mahesh K. Lakshman","Purinyl N1-Directed Aromatic C-H Oxidation in 6-Arylpurines and 6-Arylpurine Nucleosides","Journal of Organic Chemistry","2013","78","","7423","7435","10.1021/jo4008282","","","0.71073","MoKα","","0.0706","0.0457","","","0.1177","0.1363","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028455","9.349","0.004","14.881","0.007","13.437","0.006","90","","92.751","0.006","90","","1867.2","1.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","","Michael E. Jung; Mikhail Guzaev","Studies Toward the Enantiospecific Total Synthesis of Rhodexin A","Journal of Organic Chemistry","2013","78","","7518","7526","10.1021/jo400909t","","","0.71073","MoKα","","0.0697","0.0475","","","0.1092","0.1182","","","","","","1.047","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028456","7.067","0.004","20.412","0.01","14.737","0.008","90","","98.1","0.005","90","","2104.6","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H74 O5 Si3 -","- C38 H74 O5 Si3 -","- C76 H148 O10 Si6 -","2","1","","Michael E. Jung; Mikhail Guzaev","Studies Toward the Enantiospecific Total Synthesis of Rhodexin A","Journal of Organic Chemistry","2013","78","","7518","7526","10.1021/jo400909t","","","0.71073","MoKα","","0.0703","0.0471","","","0.0908","0.1001","","","","","","1.001","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028457","5.9362","0.0003","7.6173","0.0003","23.4584","0.0012","90","","90","","90","","1060.74","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 P S -","- C13 H9 P S -","- C52 H36 P4 S4 -","4","1","","Joshua C. Worch; Danielle N. Chirdon; Andrew B. Maurer; Yunyan Qiu; Steven J. Geib; Stefan Bernhard; Kevin J. T. Noonan","Synthetic Tuning of Electronic and Photophysical Properties of 2-Aryl-1,3-Benzothiaphospholes","Journal of Organic Chemistry","2013","78","","7462","7469","10.1021/jo400947u","","","1.54178","CuKα","","0.0768","0.0721","","","0.2075","0.2114","","","","","","2.185","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028458","7.795","0.005","18.924","0.011","9.785","0.006","90","","107.907","0.006","90","","1373.5","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dimethylsulfonium diazoacetate triflate","(1-diazo-2-ethoxy-2-oxoethyl)dimethylsulfonium triflate","","- C7 H11 F3 N2 O5 S2 -","- C7 H11 F3 N2 O5 S2 -","- C28 H44 F12 N8 O20 S8 -","4","1","","Christian Schnaars; Martin Hennum; Tore Bonge-Hansen","Nucleophilic Halogenations of Diazo Compounds, a Complementary Principle for the Synthesis of Halodiazo Compounds: Experimental and Theoretical Studies","Journal of Organic Chemistry","2013","78","","7488","7497","10.1021/jo401050c","","","0.71073","MoKα","","0.0577","0.0431","","","0.1149","0.1242","","","","","","1.067","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028459","8.9478","0.0014","14.984","0.002","12.673","0.002","90","","91.953","0.002","90","","1698.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","triethylammonium diazoacetate triflate","1-diazo-2-ethoxy-N,N,N-triethyl-2-oxoethanaminium","","- C11 H20 F3 N3 O5 S -","- C11 H20 F3 N3 O5 S -","- C44 H80 F12 N12 O20 S4 -","4","1","","Christian Schnaars; Martin Hennum; Tore Bonge-Hansen","Nucleophilic Halogenations of Diazo Compounds, a Complementary Principle for the Synthesis of Halodiazo Compounds: Experimental and Theoretical Studies","Journal of Organic Chemistry","2013","78","","7488","7497","10.1021/jo401050c","","","0.71073","MoKα","","0.0577","0.0487","","","0.1319","0.1391","","","","","","1.074","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028460","18.7732","0.0006","15.9334","0.0005","20.2459","0.0007","90","","104.18","0.002","90","","5871.5","0.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38.5 Au F2 N2 O2.25 P -","- C28 H38.5 Au F2 N2 O2.25 P -","- C224 H308 Au8 F16 N16 O18 P8 -","8","2","","Wan Teng Teo; Weidong Rao; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Domino Aminocyclization/1,3-Sulfonyl Migration of N-Substituted N-Sulfonyl-aminobut-3-yn-2-ols to 1-Substituted 3-Sulfonyl-1H-pyrroles","Journal of Organic Chemistry","2013","78","","7508","7517","10.1021/jo401083m","","","0.71073","MoKα","","0.0932","0.0434","","","0.0933","0.1193","","","","","","1.065","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028461","10.6441","0.0009","7.9916","0.0007","17.1445","0.0013","90","","106.912","0.002","90","","1395.3","0.2","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O3 S -","- C33 H31 N O3 S -","- C66 H62 N2 O6 S2 -","2","1","","Wan Teng Teo; Weidong Rao; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Domino Aminocyclization/1,3-Sulfonyl Migration of N-Substituted N-Sulfonyl-aminobut-3-yn-2-ols to 1-Substituted 3-Sulfonyl-1H-pyrroles","Journal of Organic Chemistry","2013","78","","7508","7517","10.1021/jo401083m","","","0.71073","MoKα","","0.0787","0.0508","","","0.1149","0.1281","","","","","","1.03","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028462","9.8047","0.0011","15.1178","0.0019","19.35","0.003","102.154","0.003","90.787","0.004","103.19","0.004","2724.1","0.6","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.25 H29.5 Cl0.5 N O2 S -","- C33.25 H29.5 Cl0.5 N O2 S -","- C133 H118 Cl2 N4 O8 S4 -","4","2","","Wan Teng Teo; Weidong Rao; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Domino Aminocyclization/1,3-Sulfonyl Migration of N-Substituted N-Sulfonyl-aminobut-3-yn-2-ols to 1-Substituted 3-Sulfonyl-1H-pyrroles","Journal of Organic Chemistry","2013","78","","7508","7517","10.1021/jo401083m","","","0.71073","MoKα","","0.1211","0.0646","","","0.1601","0.2165","","","","","","0.987","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028463","21.9821","0.0016","4.1296","0.0003","14.4511","0.0011","90","","103.816","0.008","90","","1273.88","0.17","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Br2 S2 -","- C14 H8 Br2 S2 -","- C56 H32 Br8 S8 -","4","0.5","","Christian Ruzié; Jolanta Karpinska; Alan R. Kennedy; Yves H. Geerts","Synthesis of 1,6-, 2,7-, 3,8-, and 4,9-Isomers of Didodecyl[1]benzothieno[3,2-b][1]benzothiophenes","Journal of Organic Chemistry","2013","78","","7741","7748","10.1021/jo401134c","","","1.5418","CuKα","","0.0439","0.0423","","","0.1198","0.1217","","","","","","1.154","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028464","12.1734","0.0004","5.0975","0.0002","13.3805","0.0004","90","","97.547","0.002","90","","823.12","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N3 O -","- C8 H11 N3 O -","- C32 H44 N12 O4 -","4","1","","Borys Ośmiałowski; Karina Mroczyńska; Erkki Kolehmainen; Magdalena Kowalska; Arto Valkonen; Marek Pietrzak; Kari Rissanen","Association of N-(Pyridin-2-yl),N'-substituted Ureas with 2-Amino-1,8-naphthyridines and Benzoates: NMR and Quantum Chemical Studies of the Substituent Effect on Complexation","Journal of Organic Chemistry","2013","78","","7582","7593","10.1021/jo4011393","","","0.71073","MoKα","","0.0702","0.0447","","","0.0855","0.0952","","","","","","1.052","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028465","12.8161","0.0003","5.1702","0.0001","15.4402","0.0003","90","","92.666","0.001","90","","1021.99","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N3 O -","- C10 H15 N3 O -","- C40 H60 N12 O4 -","4","1","","Borys Ośmiałowski; Karina Mroczyńska; Erkki Kolehmainen; Magdalena Kowalska; Arto Valkonen; Marek Pietrzak; Kari Rissanen","Association of N-(Pyridin-2-yl),N'-substituted Ureas with 2-Amino-1,8-naphthyridines and Benzoates: NMR and Quantum Chemical Studies of the Substituent Effect on Complexation","Journal of Organic Chemistry","2013","78","","7582","7593","10.1021/jo4011393","","","0.71073","MoKα","","0.044","0.0371","","","0.0919","0.096","","","","","","1.063","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028466","13.4019","0.0006","5.5613","0.0002","15.169","0.0007","90","","111.952","0.003","90","","1048.61","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Borys Ośmiałowski; Karina Mroczyńska; Erkki Kolehmainen; Magdalena Kowalska; Arto Valkonen; Marek Pietrzak; Kari Rissanen","Association of N-(Pyridin-2-yl),N'-substituted Ureas with 2-Amino-1,8-naphthyridines and Benzoates: NMR and Quantum Chemical Studies of the Substituent Effect on Complexation","Journal of Organic Chemistry","2013","78","","7582","7593","10.1021/jo4011393","","","0.71073","MoKα","","0.0979","0.0542","","","0.0981","0.1131","","","","","","1.017","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028467","15.679","0.009","16.496","0.01","8.969","0.005","90","","95.185","0.011","90","","2310","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F6 N2 O3 -","- C25 H24 F6 N2 O3 -","- C100 H96 F24 N8 O12 -","4","1","","Joseph E. Banning; Jacob Gentillon; Pavel G. Ryabchuk; Anthony R. Prosser; Andrew Rogers; Andrew Edwards; Andrew Holtzen; Ivan A. Babkov; Marina Rubina; Michael Rubin","Formal Substitution of Bromocyclopropanes with Nitrogen Nucleophiles","Journal of Organic Chemistry","2013","78","","7601","7616","10.1021/jo4011798","","","0.71073","MoKα","","0.1127","0.0893","","","0.2258","0.2443","","","","","","1.031","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028468","9.8452","0.0016","12.615","0.002","17.535","0.003","70.29","0.004","75.181","0.005","85.869","0.004","1981.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H30 N2 O3 S -","- C19 H30 N2 O3 S -","- C76 H120 N8 O12 S4 -","4","2","","Joseph E. Banning; Jacob Gentillon; Pavel G. Ryabchuk; Anthony R. Prosser; Andrew Rogers; Andrew Edwards; Andrew Holtzen; Ivan A. Babkov; Marina Rubina; Michael Rubin","Formal Substitution of Bromocyclopropanes with Nitrogen Nucleophiles","Journal of Organic Chemistry","2013","78","","7601","7616","10.1021/jo4011798","","","1.54178","CuKα","","0.0326","0.0324","","","0.085","0.0852","","","","","","1.044","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028469","13.1836","0.0003","5.4727","0.0001","8.6078","0.0002","90","","92.362","0.002","90","","620.52","0.02","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C28 H30 N6 O2 -","2","1","","Joseph E. Banning; Jacob Gentillon; Pavel G. Ryabchuk; Anthony R. Prosser; Andrew Rogers; Andrew Edwards; Andrew Holtzen; Ivan A. Babkov; Marina Rubina; Michael Rubin","Formal Substitution of Bromocyclopropanes with Nitrogen Nucleophiles","Journal of Organic Chemistry","2013","78","","7601","7616","10.1021/jo4011798","","","1.54178","CuKα","","0.0283","0.0266","","","0.0673","0.0682","","","","","","1.036","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028470","15.0672","0.0003","16.1877","0.0003","33.1869","0.0006","89.496","0.006","77.803","0.005","64.751","0.005","7125.5","0.4","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C86 H83.25 O6 -","- C86 H83.25 O6 -","- C344 H333 O24 -","4","2","","Shin-ichiro Kato; Nobutaka Takahashi; Yosuke Nakamura","Hexadecadehydrodibenzo[20]-, Tetracosadehydrotribenzo[30]-, and Dotriacontadehydrotetrabenzo[40]annulenes: Syntheses, Characterizations, Electronic Properties, and Self-Associations","Journal of Organic Chemistry","2013","78","","7658","7663","10.1021/jo401200m","","","1.54187","CuKα","","0.1341","0.0864","","","0.2522","0.2877","","","","","","1.036","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028471","8.4251","0.0002","10.9245","0.0003","20.7242","0.0004","90","","100.747","0.0015","90","","1874","0.08","200","","200","","","","","","","","from U of Wollongong","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 O2 -","- C25 H16 N2 O2 -","- C100 H64 N8 O8 -","4","1","","Alireza Shakoori; John B. Bremner; Anthony C. Willis; Rachada Haritakun; Paul A. Keller","Rapid Cascade Synthesis of Poly-Heterocyclic Architectures from Indigo","Journal of Organic Chemistry","2013","78","","7639","7647","10.1021/jo401210r","","","0.71073","MoKα","","0.0482","0.039","","0.104","0.0961","0.104","","","","","","0.9935","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028472","8.8893","0.0002","21.6743","0.0004","10.0894","0.0002","90","","106.018","0.0009","90","","1868.45","0.07","200","","200","","","","","","","","from U of Wollongong","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 O2 -","- C25 H16 N2 O2 -","- C100 H64 N8 O8 -","4","1","","Alireza Shakoori; John B. Bremner; Anthony C. Willis; Rachada Haritakun; Paul A. Keller","Rapid Cascade Synthesis of Poly-Heterocyclic Architectures from Indigo","Journal of Organic Chemistry","2013","78","","7639","7647","10.1021/jo401210r","","","0.71073","MoKα","","0.0625","0.0395","","0.0981","0.0896","0.0981","","","","","","0.9556","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028473","7.5927","0.0002","9.4172","0.0003","16.2992","0.0005","76.3835","0.0014","88.6282","0.0018","78.0391","0.0019","1107.7","0.06","200","","200","","","","","","","","from U of Wollongong","4","P -1","-P 1","2","","","","- C29 H18 N2 O4 -","- C29 H18 N2 O4 -","- C58 H36 N4 O8 -","2","1","","Alireza Shakoori; John B. Bremner; Anthony C. Willis; Rachada Haritakun; Paul A. Keller","Rapid Cascade Synthesis of Poly-Heterocyclic Architectures from Indigo","Journal of Organic Chemistry","2013","78","","7639","7647","10.1021/jo401210r","","","0.71073","MoKα","","0.0594","0.0464","","0.1252","0.1173","0.1252","","","","","","0.9891","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028474","6.8899","0.0001","9.0638","0.0001","11.7741","0.0002","90.773","0.001","101.424","0.001","111.34","0.001","668.341","0.018","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H3 Br2 Cl2 I N2 -","- C10 H3 Br2 Cl2 I N2 -","- C20 H6 Br4 Cl4 I2 N4 -","2","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","0.7107","MoKα","","0.0289","0.0282","","","0.0711","0.0718","","","","","","1.045","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028475","26.6463","0.0003","8.8622","0.0001","13.5771","0.0001","90","","119.908","0.001","90","","2779.19","0.06","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H3 Br Cl2 I2 N2 -","- C10 H3 Br Cl2 I2 N2 -","- C80 H24 Br8 Cl16 I16 N16 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","0.7107","MoKα","","0.0158","0.0152","","","0.0348","0.035","","","","","","1.08","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028476","9.3313","0.0001","13.9522","0.0001","25.8239","0.0001","90","","90","","90","","3362.07","0.05","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br2 Cl2 N2 Si -","- C13 H12 Br2 Cl2 N2 Si -","- C104 H96 Br16 Cl16 N16 Si8 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0187","0.0187","","","0.0484","0.0484","","","","","","1.124","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028477","9.36","0.0001","14.3708","0.0001","26.1227","0.0002","90","","90","","90","","3513.78","0.05","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br2 Cl2 N2 Sn -","- C13 H12 Br2 Cl2 N2 Sn -","- C104 H96 Br16 Cl16 N16 Sn8 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.54184","CuKα","","0.0303","0.0302","","","0.0795","0.0796","","","","","","1.071","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028478","8.6743","0.0001","10.3483","0.0001","17.3438","0.0002","90","","90","","90","","1556.85","0.03","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5,5'-Dibromo-2,2'-dichloro-3-phenyl-[4,4']bipyridinyl","","- C16 H8 Br2 Cl2 N2 -","- C16 H8 Br2 Cl2 N2 -","- C64 H32 Br8 Cl8 N8 -","4","1","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","0.7107","MoKα","","0.0159","0.0152","","","0.0363","0.0366","","","","","","1.07","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028479","8.4324","0.0001","10.3748","0.0001","17.2945","0.0002","90","","90","","90","","1513","0.03","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H7 Br2 Cl2 N3 -","- C15 H7 Br2 Cl2 N3 -","- C60 H28 Br8 Cl8 N12 -","4","1","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0175","0.0173","","","0.0467","0.0467","","","","","","1.092","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028480","7.1636","0.0001","29.2923","0.0002","8.4859","0.0001","90","","94.362","0.001","90","","1775.51","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H8 Br2 Cl2 N2 -","- C18 H8 Br2 Cl2 N2 -","- C72 H32 Br8 Cl8 N8 -","4","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0326","0.0325","","","0.0814","0.0815","","","","","","1.064","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028481","6.6202","0.0002","11.2051","0.0005","28.4745","0.0012","90","","90.7","0.002","90","","2112.08","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 O7 -","- C23 H26 O7 -","- C92 H104 O28 -","4","1","","Soumik Mondal; Annamalai Prathap; Kana M. Sureshan","Vinylogy in Orthoester Hydrolysis: Total Syntheses of Cyclophellitol, Valienamine, Gabosine K, Valienone, Gabosine G, 1-epi-Streptol, Streptol, and Uvamalol A","Journal of Organic Chemistry","2013","78","","7690","7700","10.1021/jo401272j","","","0.71073","MoKα","","0.1029","0.0573","","","0.1698","0.2083","","","","","","1.077","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028482","12.7467","0.0008","25.7775","0.0017","8.1981","0.0004","90","","101.632","0.004","90","","2638.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N O5 S -","- C31 H25 N O5 S -","- C124 H100 N4 O20 S4 -","4","1","","Yancheng Hu; Ruxia Yi; Fan Wu; Boshun Wan","Synthesis of Functionalized Oxazoles via Silver-Catalyzed Cyclization of Propargylamides and Allenylamides","Journal of Organic Chemistry","2013","78","","7714","7726","10.1021/jo401330t","","","0.71073","MoKα","","0.1075","0.0494","","","0.0965","0.1116","","","","","","1.039","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028483","10.5504","0.0007","12.7378","0.0009","12.8597","0.0009","90","","90","","90","","1728.2","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br N2 O6 -","- C16 H17 Br N2 O6 -","- C64 H68 Br4 N8 O24 -","4","1","","Artur Noole; Kaja Ilmarinen; Ivar Järving; Margus Lopp; Tõnis Kanger","Asymmetric Synthesis of Congested Spiro-cyclopentaneoxindoles via an Organocatalytic Cascade Reaction","Journal of Organic Chemistry","2013","78","","8117","8122","10.1021/jo4008223","","","0.71073","MoKα","","0.0242","0.0216","","","0.0472","0.0478","","","","","","1.019","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028484","9.667","0.0002","11.1719","0.0002","19.3587","0.0004","90","","90","","90","","2090.72","0.07","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O3 -","- C23 H24 Br N O3 -","- C92 H96 Br4 N4 O12 -","4","1","","Khanh Hung Nguyen; Sophie Tomasi; Myriam Le Roch; Loïc Toupet; Jacques Renault; Philippe Uriac; Nicolas Gouault","Gold-Mediated Synthesis and Functionalization of Chiral Halopyridones","Journal of Organic Chemistry","2013","78","","7809","7815","10.1021/jo400827b","","","0.71073","MoKα","","0.0382","0.0274","","","0.0461","0.0473","","","","","","0.826","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028485","12.0501","0.0002","9.3407","0.0002","19.3246","0.0005","90","","98.772","0.002","90","","2149.66","0.08","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 I N O3 -","- C23 H24 I N O3 -","- C92 H96 I4 N4 O12 -","4","2","","Khanh Hung Nguyen; Sophie Tomasi; Myriam Le Roch; Loïc Toupet; Jacques Renault; Philippe Uriac; Nicolas Gouault","Gold-Mediated Synthesis and Functionalization of Chiral Halopyridones","Journal of Organic Chemistry","2013","78","","7809","7815","10.1021/jo400827b","","","0.71069","MoKα","","0.042","0.0309","","","0.0457","0.0473","","","","","","0.908","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028486","13.5058","0.0013","4.6253","0.0003","18.357","0.002","90","","93.274","0.004","90","","1144.86","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Subhadip De; Sourabh Mishra; Badrinath N. Kakde; Dhananjay Dey; Alakesh Bisai","Expeditious Approach to Pyrrolophenanthridones, Phenanthridines, and Benzo[c]phenanthridines via Organocatalytic Direct Biaryl-Coupling Promoted by Potassium tert-Butoxide","Journal of Organic Chemistry","2013","78","","7823","7844","10.1021/jo400890k","","","0.71073","MoKα","","0.112","0.0472","","","0.106","0.1313","","","","","","0.975","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028487","8.4402","0.0004","12.1368","0.0006","14.9524","0.0008","90","","90.817","0.002","90","","1531.52","0.13","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","1","","Subhadip De; Sourabh Mishra; Badrinath N. Kakde; Dhananjay Dey; Alakesh Bisai","Expeditious Approach to Pyrrolophenanthridones, Phenanthridines, and Benzo[c]phenanthridines via Organocatalytic Direct Biaryl-Coupling Promoted by Potassium tert-Butoxide","Journal of Organic Chemistry","2013","78","","7823","7844","10.1021/jo400890k","","","0.71073","MoKα","","0.0729","0.0507","","","0.1406","0.1572","","","","","","1.026","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028488","10.9095","0.0006","12.0094","0.0007","13.3449","0.0007","72.715","0.002","80.074","0.003","78.396","0.002","1623.43","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","2","","Subhadip De; Sourabh Mishra; Badrinath N. Kakde; Dhananjay Dey; Alakesh Bisai","Expeditious Approach to Pyrrolophenanthridones, Phenanthridines, and Benzo[c]phenanthridines via Organocatalytic Direct Biaryl-Coupling Promoted by Potassium tert-Butoxide","Journal of Organic Chemistry","2013","78","","7823","7844","10.1021/jo400890k","","","0.71073","MoKα","","0.0735","0.0467","","","0.121","0.1367","","","","","","1.062","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028489","10.9448","0.0006","15.4733","0.0009","13.881","0.0008","90","","104.966","0.001","90","","2271","0.2","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br F N O3 S -","- C25 H23 Br F N O3 S -","- C100 H92 Br4 F4 N4 O12 S4 -","4","1","","B.V. Subba Reddy; Durgaprasad Medaboina; B. Sridhar; Kiran Kumar Singarapu","Stereoselective Synthesis of Hexahydro-1H-pyrano- and thiopyrano[3,4-c]quinoline Derivatives through a Prins Cascade Cyclization","Journal of Organic Chemistry","2013","78","","8161","8168","10.1021/jo4009657","","","0.71073","MoKα","","0.0451","0.0369","","","0.0954","0.101","","","","","","1.037","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028490","14.6611","0.0005","15.1611","0.0006","20.8261","0.0008","90","","90","","90","","4629.2","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C208 H216 N8 O24 S8 -","8","1","","B.V. Subba Reddy; Durgaprasad Medaboina; B. Sridhar; Kiran Kumar Singarapu","Stereoselective Synthesis of Hexahydro-1H-pyrano- and thiopyrano[3,4-c]quinoline Derivatives through a Prins Cascade Cyclization","Journal of Organic Chemistry","2013","78","","8161","8168","10.1021/jo4009657","","","0.71073","MoKα","","0.0692","0.0577","","","0.1304","0.1372","","","","","","1.181","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028491","8.5849","0.0005","10.9787","0.0008","26.2197","0.0016","90","","90","","90","","2471.2","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 S2 -","- C24 H27 N O4 S2 -","- C96 H108 N4 O16 S8 -","4","1","","Akio Kamimura; Koichiro Miyazaki; Yu Yamane; Ryuichiro Yo; Shingo Ishikawa; Hidemitsu Uno; Michinori Sumimoto","A Radical Cascade Cyclization To Prepare Dihydrothiophenes Induced by Thiyl Radicals as Sulfur Biradical Equivalents","Journal of Organic Chemistry","2013","78","","7816","7822","10.1021/jo400975t","","","0.71075","MoKα","","","0.0386","","","","0.1143","","","","","","1.044","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028492","12.5942","0.0008","7.418","0.0005","12.6348","0.0013","90","","90.76","0.003","90","","1180.29","0.16","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N3 O4 S2 -","- C24 H27 N O4 S2 -","- C48 H54 N2 O8 S4 -","2","1","","Akio Kamimura; Koichiro Miyazaki; Yu Yamane; Ryuichiro Yo; Shingo Ishikawa; Hidemitsu Uno; Michinori Sumimoto","A Radical Cascade Cyclization To Prepare Dihydrothiophenes Induced by Thiyl Radicals as Sulfur Biradical Equivalents","Journal of Organic Chemistry","2013","78","","7816","7822","10.1021/jo400975t","","","0.71075","MoKα","","","0.0354","","","","0.1051","","","","","","1.087","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028493","20.1281","0.0017","14.9938","0.0016","8.0453","0.0007","90","","90","","90","","2428","0.4","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C104 H136 N24 O8 -","8","2","","Manman Sun; Tianshui Zhang; Weiliang Bao","FeCl3-Catalyzed Cascade Cyclization in One Pot: Synthesis of Ring-Fused Tetrahydroquinoline Derivatives from Arylamines and N-Substituted Lactams","Journal of Organic Chemistry","2013","78","","8155","8160","10.1021/jo400979h","","","0.71073","MoKα","","0.1181","0.0928","","","0.2086","0.2376","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028494","5.8867","0.0012","17.738","0.004","9.807","0.002","90","","90.84","0.03","90","","1023.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C48 H54 N2 O6 -","2","1","","Hui Zhao; Atsushi Kato; Kasumi Sato; Yue-Mei Jia; Chu-Yi Yu","Total Synthesis and Glycosidase Inhibition of Broussonetine I and J2","Journal of Organic Chemistry","2013","78","","7896","7902","10.1021/jo4010553","","","0.71073","MoKα","","0.0641","0.0578","","","0.0908","0.0935","","","","","","1.134","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028495","13.992","0.0009","8.9084","0.0001","8.6286","0.0001","90","","90","","90","","1075.52","0.07","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee","Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach","Journal of Organic Chemistry","2013","78","","7912","7929","10.1021/jo401105q","","","1.54187","CuKα","","0.0427","0.0405","","","0.0963","0.0984","","","","","","1.15","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028496","12.636","0.0002","7.0137","0.0001","14.3915","0.001","90","","114.714","0.008","90","","1158.62","0.11","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee","Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach","Journal of Organic Chemistry","2013","78","","7912","7929","10.1021/jo401105q","","","1.54178","CuKα","","0.0571","0.0507","","","0.1252","0.133","","","","","","1.164","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028497","13.4787","0.0002","13.3407","0.0002","14.214","0.001","90","","90","","90","","2555.89","0.19","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","1","","Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee","Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach","Journal of Organic Chemistry","2013","78","","7912","7929","10.1021/jo401105q","","","1.54187","CuKα","","0.0519","0.0451","","","0.1209","0.1282","","","","","","1.093","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028498","13.155","0.002","14.57","0.002","27.548","0.004","90","","90.26","0.02","90","","5280","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-1-(4-iodo-2,6-bis(trifluoromethyl)phenyl)-3,3-diisopropyl- triaz-1-ene","","- C14 H16 F6 I N3 -","- C14 H16 F6 I N3 -","- C168 H192 F72 I12 N36 -","12","3","","Andreas Hafner; Angela Bihlmeier; Martin Nieger; Wim Klopper; Stefan Bräse","ortho-Perfluoroalkylation and Ethoxycarbonyldifluoromethylation of Aromatic Triazenes","Journal of Organic Chemistry","2013","78","","7938","7948","10.1021/jo401145g","","","0.71073","MoKα","","0.0525","0.0403","","","0.0754","0.0801","","","","","","1.058","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028499","36.8738","0.0028","7.8936","0.0006","17.0218","0.0013","90","","102.531","0.001","90","","4836.5","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-diethyl 2,2'-(2-(3,3-diisopropyltriaz-1-en-1-yl)-5-iodo- 1,3-phenylene)bis(2,2-difluoroacetate)","","- C20 H26 F4 I N3 O4 -","- C20 H26 F4 I N3 O4 -","- C160 H208 F32 I8 N24 O32 -","8","2","","Andreas Hafner; Angela Bihlmeier; Martin Nieger; Wim Klopper; Stefan Bräse","ortho-Perfluoroalkylation and Ethoxycarbonyldifluoromethylation of Aromatic Triazenes","Journal of Organic Chemistry","2013","78","","7938","7948","10.1021/jo401145g","","","0.71073","MoKα","","0.0588","0.043","","","0.0802","0.0855","","","","","","1.079","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028500","9.3223","0.0005","10.8288","0.0005","11.3948","0.0006","61.996","0.001","85.235","0.001","68.67","0.001","940.65","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N O2 S -","- C19 H25 N O2 S -","- C38 H50 N2 O4 S2 -","2","1","","Hsiao-Hua Hung; Yi-Ching Liao; Rai-Shung Liu","Oxidant-Dependent Chemoselectivity in the Gold-Catalyzed Oxidative Cyclizations of 3,4,6,6-Tetrasubstituted 3,5-Dien-1-ynes","Journal of Organic Chemistry","2013","78","","7970","7976","10.1021/jo401161h","","","0.71073","MoKα","","0.0951","0.0534","","","0.1356","0.1575","","","","","","1.032","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028501","11.2827","0.0011","19.8394","0.0019","14.7376","0.0014","90","","90.385","0.003","90","","3298.8","0.5","174","2","174","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl2 F7 Ir N6 -","- C34 H24 Cl2 F7 Ir N6 -","- C136 H96 Cl8 F28 Ir4 N24 -","4","1","","Hea Jung Park; Ji Na Kim; Hyun-Ji Yoo; Kyung-Ryang Wee; Sang Ook Kang; Dae Won Cho; Ung Chan Yoon","Rational Design, Synthesis, and Characterization of Deep Blue Phosphorescent Ir(III) Complexes Containing (4'-Substituted-2'-pyridyl)-1,2,4-triazole Ancillary Ligands","Journal of Organic Chemistry","2013","78","","8054","8064","10.1021/jo4012514","","","0.71073","MoKα","","0.0215","0.0199","","","0.0509","0.0517","","","","","","1.026","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028502","10.6569","0.0001","17.5703","0.0002","22.4981","0.0004","107.328","0.001","94.596","0.001","102.635","0.001","3876.06","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H24 Cl6 F7 Ir N6 O -","- C35 H24 Cl6 F7 Ir N6 O -","- C140 H96 Cl24 F28 Ir4 N24 O4 -","4","2","","Hea Jung Park; Ji Na Kim; Hyun-Ji Yoo; Kyung-Ryang Wee; Sang Ook Kang; Dae Won Cho; Ung Chan Yoon","Rational Design, Synthesis, and Characterization of Deep Blue Phosphorescent Ir(III) Complexes Containing (4'-Substituted-2'-pyridyl)-1,2,4-triazole Ancillary Ligands","Journal of Organic Chemistry","2013","78","","8054","8064","10.1021/jo4012514","","","0.71073","MoKα","","0.0489","0.0367","","","0.0901","0.0969","","","","","","1.032","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028503","10.349","0.0002","11.8478","0.0002","15.8534","0.0002","109.257","0.001","91.904","0.001","97.133","0.001","1815.15","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 Cl2 F13 Ir N6 -","- C36 H22 Cl2 F13 Ir N6 -","- C72 H44 Cl4 F26 Ir2 N12 -","2","1","","Hea Jung Park; Ji Na Kim; Hyun-Ji Yoo; Kyung-Ryang Wee; Sang Ook Kang; Dae Won Cho; Ung Chan Yoon","Rational Design, Synthesis, and Characterization of Deep Blue Phosphorescent Ir(III) Complexes Containing (4'-Substituted-2'-pyridyl)-1,2,4-triazole Ancillary Ligands","Journal of Organic Chemistry","2013","78","","8054","8064","10.1021/jo4012514","","","0.71073","MoKα","","0.0501","0.0451","","","0.1246","0.1289","","","","","","1.054","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028504","9.5195","0.0017","8.2289","0.0014","11.0119","0.0019","90","","98.595","0.003","90","","852.9","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0448","0.0405","","","0.1021","0.1055","","","","","","1.072","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028505","7.8773","0.001","14.4868","0.0019","8.7034","0.0012","90","","105.377","0.002","90","","957.6","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C50 H40 N4 O4 -","2","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0318","0.03","","","0.0776","0.0791","","","","","","1.054","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028506","7.2135","0.0007","10.2319","0.0009","22.864","0.002","90","","90","","90","","1687.5","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0404","0.0392","","","0.0997","0.1007","","","","","","1.099","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028507","13.2591","0.0004","25.5247","0.0007","10.0154","0.0003","90","","90","","90","","3389.56","0.17","296","2","296","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C23 H19 N -","- C23 H19 N -","- C184 H152 N8 -","8","","","Keith Ramig; Edyta M. Greer; David J. Szalda; Sasan Karimi; Allen Ko; Laura Boulos; Jiansan Gu; Nathan Dvorkin; Hema Bhramdat; Gopal Subramaniam","NMR Spectroscopic and Computational Study of Conformational Isomerism in Substituted 2-Aryl-3H-1-benzazepines: Toward Isolable Atropisomeric Benzazepine Enantiomers","Journal of Organic Chemistry","2013","78","","8028","8036","10.1021/jo4013089","","","0.71073","MoKα","","0.0421","0.0346","","","0.0891","0.0943","","","","","","1.055","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028508","11.80816","0.00009","9.10166","0.00006","12.70852","0.00009","90","","103.658","0.0007","90","","1327.21","0.017","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C64 H44 F12 O8 -","4","1","","Roderick C. Jones; Michał Gałęzowski; Donal F. O'Shea","Synthesis of Trisubstituted Alkenes via Direct Oxidative Arene-Alkene Coupling","Journal of Organic Chemistry","2013","78","","8044","8053","10.1021/jo401326f","","","1.54184","CuKα","","0.0321","0.031","","","0.0789","0.08","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028509","17.14511","0.00005","15.82328","0.00006","19.53876","0.00007","90","","90","","90","","5300.71","0.03","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C256 H176 F48 O32 -","16","2","","Roderick C. Jones; Michał Gałęzowski; Donal F. O'Shea","Synthesis of Trisubstituted Alkenes via Direct Oxidative Arene-Alkene Coupling","Journal of Organic Chemistry","2013","78","","8044","8053","10.1021/jo401326f","","","1.54184","CuKα","","0.0331","0.0317","","","0.0817","0.0831","","","","","","1.025","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028510","8.0808","0.0018","10.686","0.004","14.044","0.005","86.22","0.03","75.19","0.02","79.31","0.02","1151.9","0.7","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C26 H27 N O5 S -","- C26 H27 N O5 S -","- C52 H54 N2 O10 S2 -","2","2","","Philip C. Bulman Page; Louise F. Appleby; Yohan Chan; David P. Day; Benjamin R. Buckley; Alexandra M. Z. Slawin; Steven M. Allin; Michael J. McKenzie","Kinetic Resolution in Asymmetric Epoxidation using Iminium Salt Catalysis","Journal of Organic Chemistry","2013","78","","8074","8082","10.1021/jo401345m","","","0.71075","MoKα","","","0.0683","","","","0.1993","","","","","","0.804","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028511","8.1835","0.0013","7.9979","0.0012","13.072","0.002","90","","103.357","0.002","90","","832.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B2 F8 N2 O2 -","- C14 H12 B2 F8 N2 O2 -","- C28 H24 B4 F16 N4 O4 -","2","0.5","","Arumugam Thangavel; Ian A. Elder; Chariklia Sotiriou-Leventis; Richard Dawes; Nicholas Leventis","Breaking Aggregation and Driving the Keto-to-gem-Diol Equilibrium of the N,N'-Dimethyl-2,6-diaza-9,10-anthraquinonediium Dication to the Keto Form by Intercalation in Cucurbit[7]uril","Journal of Organic Chemistry","2013","78","","8297","8304","10.1021/jo3027577","","","0.71073","MoKα","","0.1113","0.0936","","","0.2589","0.2878","","","","","","1.185","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028512","13.625","0.009","4.904","0.003","11.031","0.007","90","","112.012","0.009","90","","683.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F6 O2 -","- C16 H8 F6 O2 -","- C32 H16 F12 O4 -","2","0.5","","Yunus E. Türkmen; Viresh H. Rawal","Exploring the Potential of Diarylacetylenediols as Hydrogen Bonding Catalysts","Journal of Organic Chemistry","2013","78","","8340","8353","10.1021/jo400926n","","","0.71073","MoKα","","0.0585","0.0522","","","0.1368","0.1434","","","","","","0.943","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028513","9.797","0.002","6.1428","0.0012","35.557","0.007","90","","93.51","0.03","90","","2135.8","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Fenghai Guo; Ramesh C. Dhakal; R. Karl Dieter","Conjugate Addition Reactions of N-Carbamoyl-4-pyridones and 2,3-Dihydropyridones with Grignard Reagents in the Absence of Cu(I) Salts","Journal of Organic Chemistry","2013","78","","8451","8464","10.1021/jo400936z","","","0.71073","MoKα","","0.1263","0.0876","","","0.2368","0.294","","","","","","1.042","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028514","10.207","0.005","11.783","0.005","19.638","0.009","84.53","0.006","78.165","0.006","73.602","0.006","2215.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H40 F2 N2 O7 -","- C49 H40 F2 N2 O7 -","- C98 H80 F4 N4 O14 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.0772","0.0558","","","0.14","0.1535","","","","","","1.081","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028515","10.642","0.003","14.408","0.004","24.489","0.007","90","","101.997","0.004","90","","3672.9","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Cl2 N2 O5 -","- C33 H24 Cl2 N2 O5 -","- C132 H96 Cl8 N8 O20 -","4","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1238","0.0621","","","0.1422","0.1624","","","","","","0.853","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028516","10.438","0.002","12.642","0.003","17.628","0.004","81.504","0.003","80.904","0.003","88.886","0.003","2271.7","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H40 Cl2 N2 O5 -","- C49 H40 Cl2 N2 O5 -","- C98 H80 Cl4 N4 O10 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1341","0.0621","","","0.1493","0.1776","","","","","","0.898","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028517","10.2295","0.0011","16.6807","0.0018","22.423","0.003","90","","98.328","0.002","90","","3785.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 F2 N2 O5 -","- C44 H46 F2 N2 O5 -","- C176 H184 F8 N8 O20 -","4","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1","0.0549","","","0.1164","0.1393","","","","","","1.004","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028518","10.326","0.004","15.052","0.006","16.253","0.007","97.534","0.006","99.983","0.005","94.847","0.006","2451.5","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H50 Cl5 N3 O4 -","- C50 H50 Cl5 N3 O4 -","- C100 H100 Cl10 N6 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.2128","0.1389","","","0.3204","0.3482","","","","","","1.073","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028519","10.2599","0.0017","12.206","0.002","20.525","0.004","95.768","0.002","104.41","0.002","102.815","0.002","2394.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H45 Cl2 N3 O5 -","- C52 H45 Cl2 N3 O5 -","- C104 H90 Cl4 N6 O10 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1547","0.0611","","","0.1385","0.1688","","","","","","0.858","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028520","11.996","0.002","14.028","0.002","14.829","0.004","104.425","0.003","104.884","0.003","106.77","0.002","2163.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H41 Cl3 N2 O4 -","- C49 H41 Cl3 N2 O4 -","- C98 H82 Cl6 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1273","0.0686","","","0.1779","0.2174","","","","","","1.038","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028521","10.2274","0.001","12.2634","0.0012","17.1688","0.0017","90","","94.869","0.001","90","","2145.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H32 Cl4 N2 O4 -","- C46 H32 Cl4 N2 O4 -","- C92 H64 Cl8 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.0441","0.0381","","","0.0993","0.1039","","","","","","1","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028522","10.3188","0.0013","11.8802","0.0015","15.944","0.002","91.334","0.004","104.48","0.004","103.952","0.003","1829.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Cl2 N2 O4 -","- C42 H42 Cl2 N2 O4 -","- C84 H84 Cl4 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1597","0.0662","","","0.128","0.1567","","","","","","1.017","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028523","11.2621","0.0009","16.9401","0.0015","14.7831","0.0013","90","","100.165","0.003","90","","2776.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl2 N2 O4 -","- C34 H26 Cl2 N2 O4 -","- C136 H104 Cl8 N8 O16 -","4","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1679","0.1204","","","0.2526","0.2937","","","","","","1.132","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028524","11.308","0.002","11.459","0.002","12.459","0.002","69.744","0.002","88.758","0.003","81.088","0.003","1495.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1591","0.1082","","","0.3381","0.3683","","","","","","1.068","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028525","7.5283","0.0006","10.4136","0.0008","12.1829","0.0009","114.304","0.007","97.336","0.006","90.168","0.006","861.7","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C36 H36 N4 O8 S2 -","2","1","","Jinjin Wang; Jing Wang; Ping Lu; Yanguang Wang","Copper-Catalyzed Cascade Preparation of Dihydropyrimidin-4-ones from N-(Prop-2-yn-1-yl)amides and Azides","Journal of Organic Chemistry","2013","78","","8816","8820","10.1021/jo401094j","","","0.71073","MoKα","","0.0508","0.0385","","","0.087","0.0964","","","","","","1.036","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028526","9.546","0.0003","5.8393","0.0002","14.1047","0.0004","90","","96.805","0.002","90","","780.68","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Se-Mi Son; Hyeon-Kyu Lee","Dynamic Kinetic Resolution-Based Asymmetric Transfer Hydrogenation of 2-Benzoylmorpholinones and Its Use in Concise Stereoselective Synthesis of All Four Stereoisomers of the Antidepressant Reboxetine","Journal of Organic Chemistry","2013","78","","8396","8404","10.1021/jo401102d","","","0.71073","MoKα","","0.0363","0.0347","","","0.0912","0.0928","","","","","","1.067","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028527","12.808","0.003","11.901","0.002","24.056","0.007","90","","112.72","0.03","90","","3382.3","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C152 H136 N8 O40 S8 -","8","2","","Hao Yu; Lei Zhang; Zhilin Yang; Zhen Li; Yan Zhao; Yumei Xiao; Hongchao Guo","Phosphine-Catalyzed [3 + 2] Cycloaddition of Sulfamate-Derived Cyclic Imines with Allenoate: Synthesis of Sulfamate-Fused Dihydropyrroles","Journal of Organic Chemistry","2013","78","","8427","8436","10.1021/jo401107v","","","0.71073","MoKα","","0.0964","0.0811","","","0.1472","0.1538","","","","","","1.286","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028528","8.3672","0.0007","8.7128","0.0007","12.731","0.0011","90","","98.037","0.001","90","","919","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N3 O5 S -","- C18 H19 N3 O5 S -","- C36 H38 N6 O10 S2 -","2","1","","Bao-Dong Cui; Wen-Yong Han; Zhi-Jun Wu; Xiao-Mei Zhang; Wei-Cheng Yuan","Enantioselective Synthesis of Quaternary 3-Aminooxindoles via Organocatalytic Asymmetric Michael Addition of 3-Monosubstituted 3-Aminooxindoles to Nitroolefins","Journal of Organic Chemistry","2013","78","","8833","8839","10.1021/jo401154b","","","0.71073","MoKα","","0.045","0.0357","","","0.0806","0.0844","","","","","","1.063","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028529","7.996","0.002","8.27","0.002","28.609","0.007","90","","90","","90","","1891.8","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br O2 -","- C21 H25 Br O2 -","- C84 H100 Br4 O8 -","4","1","","Douglass F. Taber; James F. Berry","Construction of the Tricyclic A-B-C Core of the Veratrum Alkaloids","Journal of Organic Chemistry","2013","78","","8437","8441","10.1021/jo401158d","","","0.71073","MoKα","","0.0265","0.0241","","","0.067","0.0684","","","","","","1.025","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028530","5.4454","0.0015","8.372","0.002","9.793","0.003","84.238","0.005","83.54","0.004","78.233","0.005","432.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H23 N O8 -","- C16 H23 N O8 -","- C16 H23 N O8 -","1","1","","Suresh Dharuman; Preeti Gupta; Pavan K. Kancharla; Yashwant D. Vankar","Synthesis of 2-Nitroglycals from Glycals Using the Tetrabutylammonium Nitrate-Trifluoroacetic Anhydride-Triethylamine Reagent System and Base-Catalyzed Ferrier Rearrangement of Acetylated 2-Nitroglycals","Journal of Organic Chemistry","2013","78","","8442","8450","10.1021/jo401165y","","","0.71073","MoKα","","0.0687","0.0507","","","0.1065","0.1438","","","","","","1.111","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028531","9.0945","0.0013","11.1936","0.0009","21.398","0.003","90","","120.027","0.018","90","","1886","0.5","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl2 N2 O5 P -","- C15 H19 Cl2 N2 O5 P -","- C60 H76 Cl8 N8 O20 P4 -","4","1","","Wouter Debrouwer; Thomas S. A. Heugebaert; Kristof Van Hecke; Christian V. Stevens","Synthetic Entry into 1-Phosphono-3-azabicyclo[3.1.0]hexanes","Journal of Organic Chemistry","2013","78","","8232","8241","10.1021/jo401185u","","","1.5418","CuKα","","0.106","0.0702","","","0.174","0.2166","","","","","","1.008","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028532","9.6158","0.0004","11.3767","0.0005","17.5776","0.0007","90","","98.092","0.004","90","","1903.77","0.14","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl2 N2 O3 P -","- C16 H19 Cl2 N2 O3 P -","- C64 H76 Cl8 N8 O12 P4 -","4","1","","Wouter Debrouwer; Thomas S. A. Heugebaert; Kristof Van Hecke; Christian V. Stevens","Synthetic Entry into 1-Phosphono-3-azabicyclo[3.1.0]hexanes","Journal of Organic Chemistry","2013","78","","8232","8241","10.1021/jo401185u","","","1.5418","CuKα","","0.0707","0.0452","","","0.1177","0.1342","","","","","","1.027","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028533","11.812","0.005","12.254","0.005","16.871","0.005","86.203","0.005","72.152","0.005","63.842","0.005","2079.6","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H27 F5 N2 S -","- C45 H27 F5 N2 S -","- C90 H54 F10 N4 S2 -","2","1","","Ganesan Karthik; Pallavee Vitti Krushna; A. Srinivasan; Tavarekere K. Chandrashekar","Calix[2]thia[4]phyrin: An Expanded Calixphyrin with Aggregation-Induced Enhanced Emission and Anion Receptor Properties","Journal of Organic Chemistry","2013","78","","8496","8501","10.1021/jo401232a","","","0.71073","MoKα","","0.1209","0.0692","","","0.1815","0.2111","","","","","","0.945","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028534","17.6848","0.0016","21.47","0.002","20.6857","0.0018","90","","99.421","0.005","90","","7748.3","1.2","296","2","296","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C90.5 H56.5 Cl3.5 F10 N4 O9.5 S2 -","- C90.5 H56.5 Cl3.5 F10 N4 O9.5 S2 -","- C362 H226 Cl14 F40 N16 O38 S8 -","4","2","","Ganesan Karthik; Pallavee Vitti Krushna; A. Srinivasan; Tavarekere K. Chandrashekar","Calix[2]thia[4]phyrin: An Expanded Calixphyrin with Aggregation-Induced Enhanced Emission and Anion Receptor Properties","Journal of Organic Chemistry","2013","78","","8496","8501","10.1021/jo401232a","","","0.71073","MoKα","","0.1112","0.0814","","","0.2186","0.2455","","","","","","1.031","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028535","7.89551","0.00009","17.34558","0.00016","22.8169","0.0002","90","","90","","90","","3124.82","0.05","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 N3 O7 -","- C32 H43 N3 O7 -","- C128 H172 N12 O28 -","4","1","","Suvendu Biswas; Nader E. Abo-Dya; Alexander Oliferenko; Amir Khiabani; Peter J. Steel; Khalid A. Alamry; Alan R. Katritzky","Oxyazapeptides: Synthesis, Structure Determination, and Conformational Analysis","Journal of Organic Chemistry","2013","78","","8502","8509","10.1021/jo401234g","","","1.54184","CuKα","","0.0385","0.0354","","","0.0895","0.0925","","","","","","1.026","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028536","8.132","0.003","12.16","0.005","15.703","0.006","90","","90","","90","","1552.8","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Chao Cheng; Zongwei Cai; Xiao-Shui Peng; Henry N. C. Wong","Enantiomeric Recognition of Amino Acid Salts by Macrocyclic Crown Ethers Derived from Enantiomerically Pure 1,8,9,16-Tetrahydroxytetraphenylenes","Journal of Organic Chemistry","2013","78","","8562","8573","10.1021/jo401240k","","","0.71073","MoKα","","0.0728","0.0561","","","0.1488","0.1596","","","","","","1.023","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028537","7.2906","0.0005","13.4966","0.0008","16.3088","0.001","90","","90","","90","","1604.76","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 I2 O2 -","- C16 H14 I2 O2 -","- C64 H56 I8 O8 -","4","1","","Chao Cheng; Zongwei Cai; Xiao-Shui Peng; Henry N. C. Wong","Enantiomeric Recognition of Amino Acid Salts by Macrocyclic Crown Ethers Derived from Enantiomerically Pure 1,8,9,16-Tetrahydroxytetraphenylenes","Journal of Organic Chemistry","2013","78","","8562","8573","10.1021/jo401240k","","","0.71073","MoKα","","0.026","0.0252","","","0.0612","0.0617","","","","","","1.307","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028538","16.677","0.003","9.9746","0.0015","15.086","0.002","90","","113.85","0.003","90","","2295.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl N3 O5 -","- C24 H30 Cl N3 O5 -","- C96 H120 Cl4 N12 O20 -","4","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0563","0.0426","","","0.0879","0.0914","","","","","","1.076","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028539","14.227","0.002","13.112","0.002","23.405","0.003","90","","117.331","0.007","90","","3878.7","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl4 N3 O8 -","- C37 H41 Cl4 N3 O8 -","- C148 H164 Cl16 N12 O32 -","4","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0845","0.0452","","","0.0797","0.0874","","","","","","0.82","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028540","16.928","0.006","9.845","0.003","31.117","0.011","90","","90","","90","","5186","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28.75 H32 N4 O5 -","- C28.5 H32 N4 O5 -","- C228 H256 N32 O40 -","8","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.1867","0.1285","","","0.3529","0.3882","","","","","","1.253","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028541","10.752","0.003","22.282","0.007","12.459","0.004","90","","90.181","0.005","90","","2984.9","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Cl3 N4 O5 -","- C28 H37 Cl3 N4 O5 -","- C112 H148 Cl12 N16 O20 -","4","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0862","0.0637","","","0.1825","0.1937","","","","","","1.012","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028542","14.162","0.005","11.289","0.004","33.764","0.011","90","","90","","90","","5398","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C224 H320 N32 O48 -","8","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0778","0.0612","","","0.1626","0.1719","","","","","","0.976","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028543","10.152","0.003","17.836","0.005","23.318","0.007","101.848","0.005","93.41","0.005","95.553","0.005","4099","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 Cl4 N4 O4 -","- C29 H36 Cl4 N4 O4 -","- C116 H144 Cl16 N16 O16 -","4","2","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0997","0.0566","","","0.1739","0.1882","","","","","","0.972","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028544","8.6888","0.0003","9.189","0.0003","9.4216","0.0003","79.235","0.002","65.4","0.002","78.023","0.002","664.79","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N2 O4 -","- C13 H13 Br N2 O4 -","- C26 H26 Br2 N4 O8 -","2","1","","Mustafa J. Raihan; R. R. Rajawinslin; Veerababurao Kavala; Chun-Wei Kuo; Ting-Shen Kuo; Chiu-Hui He; Hsiu-Ni Huang; Ching-Fa Yao","Halonium Ion Mediated Synthesis of 2-Halomethylene-3-oxoketoxime Derivatives from Isoxazoline N-Oxides","Journal of Organic Chemistry","2013","78","","8872","8879","10.1021/jo401283x","","","0.71073","MoKα","","0.03","0.0243","","","0.0733","0.0982","","","","","","1.264","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028545","12.113","0.002","16.639","0.003","4.8589","0.001","90","","90","","90","","979.3","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 F6 N3 -","- C8 H3 F6 N3 -","- C32 H12 F24 N12 -","4","1","","Michael De Rosa; David Arnold; Douglas Hartline","Four Mechanisms in the Reactions of 3-Aminopyrrole with 1,3,5-Triazines: Inverse Electron Demand Diels-Alder Cycloadditions vs SNAr Reactions via Uncatalyzed and Acid-Catalyzed Pathways","Journal of Organic Chemistry","2013","78","","8614","8623","10.1021/jo4012915","","","0.71073","MoKα","","0.1266","0.1039","","","0.3028","0.3289","","","","","","1.247","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028546","12.571","0.007","20.299","0.011","4.706","0.003","90","","90","","90","","1200.9","1.2","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H4 F4 N8 -","- C10 H4 F4 N8 -","- C40 H16 F16 N32 -","4","1","","Michael De Rosa; David Arnold; Douglas Hartline","Four Mechanisms in the Reactions of 3-Aminopyrrole with 1,3,5-Triazines: Inverse Electron Demand Diels-Alder Cycloadditions vs SNAr Reactions via Uncatalyzed and Acid-Catalyzed Pathways","Journal of Organic Chemistry","2013","78","","8614","8623","10.1021/jo4012915","","","0.71073","MoKα","","0.0563","0.0441","","","0.0954","0.1006","","","","","","1.023","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028547","9.024","0.0014","12.568","0.001","21.352","0.0017","90","","104.171","0.001","90","","2347.9","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Sahaj Gupta; Dipankar Koley; Krishnan Ravikumar; Bijoy Kundu","Counter Ion Effect in Au/Ag-Catalyzed Chemoselective 6-endo-dig N- and O-Cyclizations of Enyne-Urea System: Diversity-Oriented Synthesis of Annulated Indoles","Journal of Organic Chemistry","2013","78","","8624","8633","10.1021/jo4013332","","","0.71073","MoKα","","0.0599","0.0477","","","0.1305","0.1426","","","","","","1.025","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028548","6.0699","0.0014","22.271","0.005","17.599","0.004","90","","98.522","0.004","90","","2352.8","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Sahaj Gupta; Dipankar Koley; Krishnan Ravikumar; Bijoy Kundu","Counter Ion Effect in Au/Ag-Catalyzed Chemoselective 6-endo-dig N- and O-Cyclizations of Enyne-Urea System: Diversity-Oriented Synthesis of Annulated Indoles","Journal of Organic Chemistry","2013","78","","8624","8633","10.1021/jo4013332","","","0.71073","MoKα","","0.1474","0.0874","","","0.1542","0.178","","","","","","1.124","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028549","7.7674","0.0001","8.7329","0.0001","8.4874","0.0001","90","","97.962","0.001","90","","570.167","0.012","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 F N O3 -","- C10 H18 F N O3 -","- C20 H36 F2 N2 O6 -","2","1","","Simon J. Shaw; Dane A. Goff; Luke A. Boralsky; Mark Irving; Rajinder Singh","Enantioselective Synthesis of cis-3-Fluoropiperidin-4-ol, a Building Block for Medicinal Chemistry","Journal of Organic Chemistry","2013","78","","8892","8897","10.1021/jo401352z","","","1.54184","CuKα","","0.0305","0.03","","","0.0804","0.0809","","","","","","1.037","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028550","7.7639","0.0004","8.7343","0.0005","8.4835","0.0004","90","","98.013","0.003","90","","569.67","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 F N O3 -","- C10 H18 F N O3 -","- C20 H36 F2 N2 O6 -","2","1","","Simon J. Shaw; Dane A. Goff; Luke A. Boralsky; Mark Irving; Rajinder Singh","Enantioselective Synthesis of cis-3-Fluoropiperidin-4-ol, a Building Block for Medicinal Chemistry","Journal of Organic Chemistry","2013","78","","8892","8897","10.1021/jo401352z","","","1.54184","CuKα","","0.0383","0.0363","","","0.091","0.0925","","","","","","1.041","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028551","6.7212","0.0005","16.922","0.002","25.652","0.003","90","","90","","90","","2917.6","0.5","100.3","0.4","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C144 H88 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0629","0.0541","","","0.1582","0.1703","","","","","","1.082","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028552","23.5138","0.0007","13.2286","0.0004","9.4729","0.0003","90","","90","","90","","2946.59","0.16","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C144 H88 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0432","0.0359","","","0.0934","0.0977","","","","","","1.099","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028553","18.0008","0.0018","12.1839","0.0012","14.6705","0.0019","90","","108.737","0.012","90","","3047","0.6","100.05","0.1","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C152 H104 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0594","0.0538","","","0.1482","0.1536","","","","","","1.041","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028554","8.5353","0.0006","14.8828","0.001","11.7854","0.0008","90","","104.911","0.007","90","","1446.68","0.18","100.05","0.1","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C72 H44 N20 -","4","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","0.71073","MoKα","","0.0536","0.0432","","","0.1093","0.1153","","","","","","1.066","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028555","10.02","0.007","10.25","0.007","18.583","0.013","78.568","0.011","87.828","0.011","75.839","0.012","1814","2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl3 N3 O S -","- C42 H36 Cl3 N3 O S -","- C84 H72 Cl6 N6 O2 S2 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.1228","0.0894","","","0.2226","0.2537","","","","","","0.946","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028556","10.0378","0.0009","10.1977","0.0009","10.4509","0.0009","71.289","0.002","72.671","0.002","65.066","0.001","902.18","0.14","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Br N2 S -","- C21 H15 Br N2 S -","- C42 H30 Br2 N4 S2 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0529","0.0411","","","0.0982","0.1013","","","","","","0.927","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028557","10.2017","0.0014","12.9072","0.0017","17.458","0.002","85.786","0.002","85.243","0.002","73.689","0.002","2195.6","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20.5 N3.5 S -","- C27 H20.5 N3.5 S -","- C108 H82 N14 S4 -","4","2","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0994","0.0654","","","0.1805","0.2037","","","","","","0.973","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028558","10.3933","0.001","12.6851","0.0012","16.6669","0.0016","97.372","0.002","105.335","0.001","98.675","0.002","2062","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 S2 -","- C25 H18 N2 S2 -","- C100 H72 N8 S8 -","4","2","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0887","0.0495","","","0.1338","0.152","","","","","","1.03","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028559","10.237","0.004","11.233","0.004","15.634","0.005","78.122","0.004","85.747","0.005","79.296","0.005","1727.5","1.1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N4 O2 S2 -","- C42 H34 N4 O2 S2 -","- C84 H68 N8 O4 S4 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0849","0.0719","","","0.1948","0.2038","","","","","","1.021","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028560","5.8778","0.0018","7.415","0.002","9.975","0.003","84.049","0.005","87.505","0.005","77.632","0.004","422.3","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 Br N2 S -","- C8 H5 Br N2 S -","- C16 H10 Br2 N4 S2 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0574","0.0526","","","0.1373","0.1404","","","","","","1.009","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028561","10.32","0.013","12.289","0.015","16.52","0.02","100.239","0.015","95.243","0.015","94.028","0.016","2045","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 Cl Ir N P2 -","- C49 H39 Cl Ir N P2 -","- C98 H78 Cl2 Ir2 N2 P4 -","2","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0788","0.0513","","","0.1073","0.1181","","","","","","0.998","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028562","9.653","0.003","14.058","0.005","16.31","0.005","87.728","0.004","78.385","0.004","87.118","0.004","2164.2","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 Fe O -","- C29 H24 Fe O -","- C116 H96 Fe4 O4 -","4","2","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.1054","0.0494","","","0.0805","0.0975","","","","","","1.019","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028563","15.39","0.03","6.159","0.013","21.75","0.04","90","","94.94","0.03","90","","2054","7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Fe O2 -","- C26 H24 Fe O2 -","- C104 H96 Fe4 O8 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.1464","0.0773","","","0.1404","0.1589","","","","","","1.048","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028564","6.3952","0.001","7.5982","0.0012","39.534","0.006","90","","91.28","0.002","90","","1920.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Fe N -","- C26 H21 Fe N -","- C104 H84 Fe4 N4 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0546","0.0433","","","0.1008","0.1063","","","","","","1.073","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028565","6.118","0.0003","11.4661","0.0004","29.4764","0.001","90","","91.952","0.003","90","","2066.56","0.14","291","2","291.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Fe N O2 -","- C27 H21 Fe N O2 -","- C108 H84 Fe4 N4 O8 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.7107","MoKα","","0.0633","0.0442","","","0.0976","0.1053","","","","","","1.042","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028566","29.415","0.004","6.2737","0.0008","10.6309","0.0014","90","","90","","90","","1961.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H21 Fe N -","- C26 H21 Fe N -","- C104 H84 Fe4 N4 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0489","0.0348","","","0.0725","0.0797","","","","","","1.036","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028567","23","0.007","7.545","0.002","11.657","0.004","90","","90.115","0.004","90","","2022.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Fe N3 -","- C26 H23 Fe N3 -","- C104 H92 Fe4 N12 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0716","0.0405","","","0.0886","0.1015","","","","","","1.037","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028568","12.591","0.0007","12.591","0.0007","43.157","0.005","90","","90","","120","","5925.2","0.8","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C37 H49 Cl3 O9 -","- C37 H49 Cl3 O9 -","- C222 H294 Cl18 O54 -","6","0.333333","","Monica Cîrcu; Albert Soran; Niculina Daniela Hădade; Monica Rednic; Anamaria Terec; Ion Grosu","Cryptands with 1,3,5-Tris(1',3'-dioxan-2'-yl)-benzene Units: Synthesis and Structural Investigations","Journal of Organic Chemistry","2013","78","","8722","8729","10.1021/jo401432y","","","0.71073","MoKα","","0.1043","0.0871","","","0.165","0.1734","","","","","","1.15","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028569","11.684","0.004","13.811","0.005","16.664","0.006","106.936","0.012","94.523","0.012","103.162","0.013","2474.2","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H65 N7 O11 -","- C47 H65 N7 O11 -","- C94 H130 N14 O22 -","2","1","","Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh","Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies","Journal of Organic Chemistry","2013","78","","8759","8765","10.1021/jo401504f","","","0.71073","MoKα","","0.1448","0.0853","","","0.2467","0.2988","","","","","","1.048","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028570","20.207","0.0019","16.6727","0.0016","31.039","0.003","90","","90","","90","","10457.2","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H63 Cl2 N8 O16 -","- C47 H63 Cl2 N8 O16 -","- C376 H504 Cl16 N64 O128 -","8","1","","Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh","Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies","Journal of Organic Chemistry","2013","78","","8759","8765","10.1021/jo401504f","","","0.71073","MoKα","","0.0683","0.0477","","","0.1302","0.1482","","","","","","1.09","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028571","14.3205","0.0007","11.8681","0.0006","32.3426","0.0015","90","","113.74","0.002","90","","5031.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H63 Br3 N8 O7 -","- C47 H63 Br3 N8 O7 -","- C188 H252 Br12 N32 O28 -","4","1","","Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh","Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies","Journal of Organic Chemistry","2013","78","","8759","8765","10.1021/jo401504f","","","0.71073","MoKα","","0.1224","0.0795","","","0.1945","0.2172","","","","","","0.972","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028572","13.9515","0.0006","7.4841","0.0003","20.7748","0.0009","90","","98.7267","0.0005","90","","2144.08","0.16","83","2","83","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H56 N4 O10 Si -","- C41 H56 N4 O10 Si -","- C82 H112 N8 O20 Si2 -","2","1","","Salman Y. Jabri; Larry E. Overman","Enantioselective Total Syntheses of Plectosphaeroic Acids B and C","Journal of Organic Chemistry","2013","78","","8766","8788","10.1021/jo4015479","","","0.71073","MoKα","","0.037","0.0358","","","0.0983","0.0993","","","","","","1.048","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028573","7.1493","0.0003","12.2599","0.0005","19.056","0.0008","90","","90","","90","","1670.25","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","1","","Mani Raj Chaulagain; Albert E. Felten; Kevin Gilbert; Zachary D. Aron","Diastereo- and Enantioselective Three-Component Coupling Approach to Highly Substituted Pyrrolidines","Journal of Organic Chemistry","2013","78","","9471","9476","10.1021/jo401015y","","","1.54178","CuKα","","0.0325","0.0316","","","0.0829","0.084","","","","","","1.057","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028574","7.5169","0.0013","16.51","0.003","13.022","0.002","90","","90","","90","","1616.1","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 Br N2 O -","- C19 H17 Br N2 O -","- C76 H68 Br4 N8 O4 -","4","1","","Xiaodong Jia; Yaxin Wang; Fangfang Peng; Congde Huo; Liangliang Yu; Jing Liu; Xicun Wang","Catalytic sp3C-H Oxidation of Peptides and Their Analogues by Radical Cation Salts: From Glycine Amides to Quinolines","Journal of Organic Chemistry","2013","78","","9450","9456","10.1021/jo401018v","","","0.71073","MoKα","","0.0363","0.0314","","","0.0863","0.0904","","","","","","1.028","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028575","4.84198","0.00013","24.6091","0.0006","11.1667","0.0003","90","","97.31","0.003","90","","1319.77","0.06","293.96","0.1","293.96","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","Xiaodong Jia; Yaxin Wang; Fangfang Peng; Congde Huo; Liangliang Yu; Jing Liu; Xicun Wang","Catalytic sp3C-H Oxidation of Peptides and Their Analogues by Radical Cation Salts: From Glycine Amides to Quinolines","Journal of Organic Chemistry","2013","78","","9450","9456","10.1021/jo401018v","","","1.5418","CuKα","","0.0457","0.0426","","","0.1158","0.119","","","","","","1.066","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028576","10.5211","0.0006","19.7827","0.0012","11.4336","0.0005","90","","115.473","0.003","90","","2148.4","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O3 S -","- C23 H28 N2 O3 S -","- C92 H112 N8 O12 S4 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0854","0.0476","","","0.1138","0.1294","","","","","","0.94","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028577","7.4176","0.0002","9.5552","0.0002","10.6426","0.0003","73.5374","0.0012","71.7067","0.0012","89.4121","0.0015","684.26","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O3 S3 -","- C12 H14 N2 O3 S3 -","- C24 H28 N4 O6 S6 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0321","0.0265","","","0.0713","0.0733","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028578","24.7995","0.0005","9.1854","0.0002","15.9469","0.0004","90","","90.6521","0.0012","90","","3632.36","0.14","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O3 S3 -","- C18 H18 N2 O3 S3 -","- C144 H144 N16 O24 S24 -","8","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.1048","0.0392","","","0.0648","0.075","","","","","","0.844","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028579","7.6137","0.0002","10.2745","0.0002","12.3735","0.0004","102.081","0.0011","93.9533","0.001","107.418","0.0011","894.08","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O3 S3 -","- C18 H15 N3 O3 S3 -","- C36 H30 N6 O6 S6 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0495","0.0338","","","0.0801","0.0848","","","","","","0.968","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028580","10.2872","0.0003","10.4831","0.0004","11.0788","0.0004","82.6096","0.0016","85.8594","0.0014","80.255","0.003","1166.18","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 N4 O3 S2 -","- C25 H22 N4 O3 S2 -","- C50 H44 N8 O6 S4 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0594","0.0391","","","0.0932","0.0994","","","","","","1.009","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028581","8.6438","0.0004","20.1707","0.0011","12.4655","0.0007","90","","110.431","0.003","90","","2036.66","0.19","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N3 O4 S2 -","- C21 H23 N3 O4 S2 -","- C84 H92 N12 O16 S8 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.1473","0.0508","","","0.0767","0.0918","","","","","","0.813","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028582","8.2612","0.0003","11.53","0.0004","11.621","0.0005","118.884","0.002","101.288","0.002","97.331","0.002","918.11","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O3 S3 -","- C18 H18 N2 O3 S3 -","- C36 H36 N4 O6 S6 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.059","0.0415","","","0.1146","0.1228","","","","","","1.069","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028583","7.2005","0.0002","7.8115","0.0002","14.1006","0.0004","82.8219","0.0018","87.622","0.002","81.448","0.002","777.93","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O3 S2 -","- C16 H14 N2 O3 S2 -","- C32 H28 N4 O6 S4 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0558","0.0364","","","0.0905","0.0974","","","","","","1.011","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028584","12.106","0.0004","26.2262","0.0009","5.0256","0.0001","90","","90","","90","","1595.6","0.08","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H13 N3 O3 S2 -","- C17 H13 N3 O3 S2 -","- C68 H52 N12 O12 S8 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0351","0.0298","","","0.0709","0.0725","","","","","","1.034","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028585","10.1559","0.0002","9.6338","0.0001","26.2933","0.0006","90","","111.841","0.001","90","","2387.88","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N2 O3 S2 -","- C25 H32 N2 O3 S2 -","- C100 H128 N8 O12 S8 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0514","0.0371","","","0.0974","0.1029","","","","","","1.061","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028586","8.638","0.001","11.502","0.001","9.89","0.001","90","","101.376","0.002","90","","963.31","0.17","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-bis(pentyliminomethyl)-2,6-dihydroxynaphthalene","","","- C22 H30 N2 O2 -","- C22 H30 N2 O2 -","- C44 H60 N4 O4 -","2","0.5","","Hirohiko Houjou; Hajime Shingai; Keisuke Yagi; Isao Yoshikawa; Koji Araki","Mutual Interference between Intramolecular Proton Transfer Sites through the Adjoining π-Conjugated System in Schiff Bases of Double-Headed, Fused Salicylaldehydes","Journal of Organic Chemistry","2013","78","","9021","9031","10.1021/jo401108z","","","1.54184","CuKα","","0.0536","0.0519","","","0.1354","0.1389","","","","","","1.069","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028587","49.85","0.05","4.657","0.005","10.848","0.011","90","","99.408","0.014","90","","2485","4","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,5-bis(octyliminomethyl)-2,6-dihydroxynaphthalene","","","- C28 H42 N2 O2 -","- C28 H42 N2 O2 -","- C112 H168 N8 O8 -","4","0.5","","Hirohiko Houjou; Hajime Shingai; Keisuke Yagi; Isao Yoshikawa; Koji Araki","Mutual Interference between Intramolecular Proton Transfer Sites through the Adjoining π-Conjugated System in Schiff Bases of Double-Headed, Fused Salicylaldehydes","Journal of Organic Chemistry","2013","78","","9021","9031","10.1021/jo401108z","","","0.71075","MoKα","","0.0814","0.0534","","","0.1312","0.1569","","","","","","1.083","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028588","9.168","0.001","10.975","0.001","11.722","0.001","65.579","0.002","70.746","0.002","70.183","0.002","985.28","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","1,5-bis(benzyliminomethyl)-2,6-dihydroxynaphthalene","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","","Hirohiko Houjou; Hajime Shingai; Keisuke Yagi; Isao Yoshikawa; Koji Araki","Mutual Interference between Intramolecular Proton Transfer Sites through the Adjoining π-Conjugated System in Schiff Bases of Double-Headed, Fused Salicylaldehydes","Journal of Organic Chemistry","2013","78","","9021","9031","10.1021/jo401108z","","","1.54184","CuKα","","0.0946","0.088","","","0.3532","0.3657","","","","","","1.826","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028589","6.0534","0.0001","9.3596","0.0002","31.6166","0.0005","90","","90","","90","","1791.31","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","","Stephen Hanessian; Benjamin R. Schroeder; Bradley L. Merner; Bin Chen; Eric E. Swayze; Punit P. Seth","Synthesis of cis- and trans-α-l-[4.3.0]Bicyclo-DNA Monomers for Antisense Technology: Methods for the Diastereoselective Formation of Bicyclic Nucleosides","Journal of Organic Chemistry","2013","78","","9051","9063","10.1021/jo401166q","","","1.54178","CuKα","","0.036","0.0334","","","0.0888","0.0906","","","","","","1.06","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028590","7.6328","0.0004","14.1459","0.0006","41.464","0.0019","90","","90","","90","","4477","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O6 Si -","- C19 H30 N2 O6 Si -","- C152 H240 N16 O48 Si8 -","8","2","","Stephen Hanessian; Jernej Wagger; Bradley L. Merner; Robert D. Giacometti; Michael E. Østergaard; Eric E. Swayze; Punit P. Seth","A constrained Tricyclic Nucleic Acid Analogue of α-l-LNA: Investigating the Effects of Dual Conformational Restriction on Duplex Thermal Stability","Journal of Organic Chemistry","2013","78","","9064","9075","10.1021/jo401170y","","","1.54178","CuKα","","0.1167","0.0763","","","0.2149","0.2389","","","","","","1.017","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028591","6.4711","0.0004","9.5163","0.0006","27.7291","0.0017","90","","90","","90","","1707.58","0.18","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Stephen Hanessian; Jernej Wagger; Bradley L. Merner; Robert D. Giacometti; Michael E. Østergaard; Eric E. Swayze; Punit P. Seth","A constrained Tricyclic Nucleic Acid Analogue of α-l-LNA: Investigating the Effects of Dual Conformational Restriction on Duplex Thermal Stability","Journal of Organic Chemistry","2013","78","","9064","9075","10.1021/jo401170y","","","1.54178","CuKα","","0.0354","0.0338","","","0.0963","0.0977","","","","","","1.075","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028592","5.9908","0.0001","21.9862","0.0006","13.158","0.0004","90","","94.8749","0.001","90","","1726.84","0.08","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C41 H46 O8 -","- C41 H46 O8 -","- C82 H92 O16 -","2","1","","Ananda Kumar Kanduluru; Prabal Banerjee; John A Beutler; Philip L Fuchs","A Convergent Total Synthesis of the Potent Cephalostatin/Ritterazine Hybrid -25-epiRitterostatin GN1N","Journal of Organic Chemistry","2013","78","","9085","9092","10.1021/jo401171q","","","0.71073","MO-Kα","","0.065","0.049","","","0.086","0.094","","","","","","1.061","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028593","11.2106","0.0003","6.3133","0.0002","28.577","0.001","90","","96.8071","0.0012","90","","2008.3","0.11","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H52 O10 -","- C48 H52 O10 -","- C96 H104 O20 -","2","1","","Ananda Kumar Kanduluru; Prabal Banerjee; John A Beutler; Philip L Fuchs","A Convergent Total Synthesis of the Potent Cephalostatin/Ritterazine Hybrid -25-epiRitterostatin GN1N","Journal of Organic Chemistry","2013","78","","9085","9092","10.1021/jo401171q","","","0.71073","MO-Kα","","0.081","0.057","","","0.093","0.103","","","","","","1.104","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028594","8.561","0.004","9.81","0.004","11.971","0.006","111","0.04","101.05","0.05","98.38","0.04","895.6","0.8","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H17 N3 O3 -","- C22 H17 N3 O3 -","- C44 H34 N6 O6 -","2","1","","Belen Batanero; Fructuoso Barba; Avelino Martin","One-Pot Formation of 1,3,4-Oxadiazol-2(3H)-ones and Dibenzo[c,e]azepines by Concomitant Cathodic Reduction of Diazonium Salts and Phenanthrenequinones","Journal of Organic Chemistry","2013","78","","9477","9481","10.1021/jo401264w","","x-ray","0.71073","MoKα","","0.121","0.05","","","0.1156","0.1377","","","","","","0.944","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028595","10.3682","0.0013","20.31","0.005","10.8183","0.0013","90","","103.339","0.018","90","","2216.6","0.7","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl3 N5 O3 -","- C21 H16 Cl3 N5 O3 -","- C84 H64 Cl12 N20 O12 -","4","1","","Belen Batanero; Fructuoso Barba; Avelino Martin","One-Pot Formation of 1,3,4-Oxadiazol-2(3H)-ones and Dibenzo[c,e]azepines by Concomitant Cathodic Reduction of Diazonium Salts and Phenanthrenequinones","Journal of Organic Chemistry","2013","78","","9477","9481","10.1021/jo401264w","","x-ray","0.71073","MoKα","","0.179","0.085","","","0.2324","0.2856","","","","","","1.266","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028596","15.162","0.009","8.812","0.002","16.235","0.009","90","","95.4","0.05","90","","2159.5","1.8","200","2","200","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 O3 -","- C25 H25 N3 O3 -","- C100 H100 N12 O12 -","4","1","","Belen Batanero; Fructuoso Barba; Avelino Martin","One-Pot Formation of 1,3,4-Oxadiazol-2(3H)-ones and Dibenzo[c,e]azepines by Concomitant Cathodic Reduction of Diazonium Salts and Phenanthrenequinones","Journal of Organic Chemistry","2013","78","","9477","9481","10.1021/jo401264w","","x-ray","0.71073","MoKα","","0.1645","0.06","","","0.1207","0.149","","","","","","0.941","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028597","3.827","0.0004","19.9545","0.0012","8.9557","0.0006","90","","90.672","0.006","90","","683.86","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H12 F N O3 -","- C17 H12 F N O3 -","- C34 H24 F2 N2 O6 -","2","1","","Shugao Zhu; Luling Wu; Xian Huang","Gold-Catalyzed Cyclization of 3-(2'-Azidoaryl)-1-arylpropargyl Carbonates or 3-Aryl-1-(2'-azidoaryl)propargyl Carbonates to Produce Quinolines","Journal of Organic Chemistry","2013","78","","9120","9126","10.1021/jo401324k","","","0.71073","MoKα","","0.0634","0.0404","","","0.0737","0.0843","","","","","","1.023","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028598","11.74","0.0005","7.1758","0.0003","13.2748","0.0007","90","","92.215","0.004","90","","1117.49","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F N O -","- C15 H10 F N O -","- C60 H40 F4 N4 O4 -","4","1","","Shugao Zhu; Luling Wu; Xian Huang","Gold-Catalyzed Cyclization of 3-(2'-Azidoaryl)-1-arylpropargyl Carbonates or 3-Aryl-1-(2'-azidoaryl)propargyl Carbonates to Produce Quinolines","Journal of Organic Chemistry","2013","78","","9120","9126","10.1021/jo401324k","","","0.71073","MoKα","","0.042","0.0348","","","0.0918","0.0968","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028599","6.03","0.006","7.997","0.007","39.32","0.04","90","","90","","90","","1896","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-phenylglycinol salt of (+)-Trans-(1R,2R,5S)-3-(tert-butoxy- carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C76 H112 N8 O20 -","4","1","","Bettina Bakonyi; Markus Furegati; Christian Kramer; Luigi La Vecchia; Flavio Ossola","Synthesis of All Four Stereoisomers of 3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid","Journal of Organic Chemistry","2013","78","","9328","9339","10.1021/jo4013282","","","1.54178","CuKα","","0.0323","0.0318","","","0.0802","0.0805","","","","","","1.102","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028600","10.3442","0.0003","29.4631","0.0008","11.8597","0.0003","90","","105.406","0.002","90","","3484.63","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 N3 Pd -","- C42 H37 N3 Pd -","- C168 H148 N12 Pd4 -","4","1","","Timothy D. Lash; Ashley M. Toney; Kylie M. Castans; Gregory M. Ferrence","Synthesis of Benziporphyrins and Heterobenziporphyrins and an Assessment of the Diatropic Characteristics of the Protonated Species","Journal of Organic Chemistry","2013","78","","9143","9152","10.1021/jo401365p","","","0.71073","MoKα","","0.0851","0.0467","","","","0.0929","","","","","","1.023","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028601","6.4739","0.0006","15.5769","0.0015","18.5242","0.0017","90","","90","","90","","1868","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Benito Alcaide; Pedro Almendros; Teresa Martínez del Campo; M. Rosario Torres","Synthesis of Fused-β-Lactams through Selective Gold-Catalyzed Oxycyclization of Dioxolane-Tethered Enynes","Journal of Organic Chemistry","2013","78","","8956","8965","10.1021/jo401390k","","","0.71073","MoKα","","0.135","0.0393","","","0.0798","0.1004","","","","","","0.998","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028602","7.5027","0.0002","20.0377","0.0006","8.6994","0.0003","90","","104.153","0.0005","90","","1268.14","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N5 O6 -","- C24 H35 N5 O6 -","- C48 H70 N10 O12 -","2","1","","Olga I. Shmatova; Valentine G. Nenajdenko","Synthesis of Tetrazole-Derived Organocatalysts via Azido-Ugi Reaction with Cyclic Ketimines","Journal of Organic Chemistry","2013","78","","9214","9222","10.1021/jo401428q","","","0.71073","MoKα","","0.0311","0.0289","","","0.0738","0.0755","","","","","","1.035","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028603","11.462","0.006","5.423","0.003","12.416","0.005","90","","101.315","0.013","90","","756.8","0.7","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br F3 O2 -","- C16 H16 Br F3 O2 -","- C32 H32 Br2 F6 O4 -","2","1","","Alyn T. Davies; James E. Taylor; James Douglas; Christopher J. Collett; Louis C. Morrill; Charlene Fallan; Alexandra M. Z. Slawin; Gwydion Churchill; Andrew D. Smith","Stereospecific Asymmetric N-Heterocyclic Carbene (NHC)-Catalyzed Redox Synthesis of Trifluoromethyl Dihydropyranones and Mechanistic Insights","Journal of Organic Chemistry","2013","78","","9243","9257","10.1021/jo401433q","","","0.71075","MoKα","","","0.0456","","","","0.1091","","","","","","0.805","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028604","9.411","0.015","6.155","0.009","12.59","0.019","90","","104.26","0.03","90","","706.8","1.9","298","1","298","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H20 F N O S -","- C14 H20 F N O S -","- C28 H40 F2 N2 O2 S2 -","2","1","","Óscar Pablo; David Guijarro; Miguel Yus","Synthesis of Nitrogenated Heterocycles by Asymmetric Transfer Hydrogenation of N-(tert-Butylsulfinyl)haloimines","Journal of Organic Chemistry","2013","78","","9181","9189","10.1021/jo4014386","","","0.71073","MoKα","","0.1352","0.0534","","","0.0749","0.0925","","","","","","0.796","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028605","9.0663","0.0017","10.2171","0.0019","17.358","0.003","90","","90","","90","","1607.9","0.5","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O S -","- C16 H25 N O S -","- C64 H100 N4 O4 S4 -","4","1","","Óscar Pablo; David Guijarro; Miguel Yus","Synthesis of Nitrogenated Heterocycles by Asymmetric Transfer Hydrogenation of N-(tert-Butylsulfinyl)haloimines","Journal of Organic Chemistry","2013","78","","9181","9189","10.1021/jo4014386","","","0.71073","MoKα","","0.0564","0.0407","","","0.0931","0.1036","","","","","","1.019","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028606","16.0473","0.0006","8.2489","0.0003","28.1693","0.0011","90","","90","","90","","3728.8","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N6 S2 -","- C18 H18 N6 S2 -","- C144 H144 N48 S16 -","8","1","","Andréanne Bolduc; Abelaziz Al Ouahabi; Charlotte Mallet; W. G. Skene","Insight into the Isoelectronic Character of Azomethines and Vinylenes Using Representative Models: A Spectroscopic and Electrochemical Study","Journal of Organic Chemistry","2013","78","","9258","9269","10.1021/jo401497z","","","1.54178","CuKα","","0.0651","0.0541","","","0.1413","0.1467","","","","","","1.009","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028607","5.3357","0.0005","14.5791","0.0012","27.62","0.002","90","","90","","90","","2148.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0542","0.0521","","","0.1351","0.1372","","","","","","1.03","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028608","5.9321","0.0016","16.378","0.004","22.766","0.006","90","","90","","90","","2211.9","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.1043","0.0879","","","0.1926","0.2144","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028609","5.6081","0.0014","17.574","0.004","23.186","0.006","90","","90","","90","","2285.1","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0755","0.0487","","","0.1017","0.1115","","","","","","0.906","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028610","5.9143","0.0019","16.418","0.005","23.943","0.008","90","","90","","90","","2324.9","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.1067","0.0843","","","0.1903","0.2025","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028611","5.94","0.003","16.522","0.008","23.753","0.012","90","","90","","90","","2331","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0973","0.0722","","","0.1795","0.198","","","","","","1.096","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028612","5.608","0.0011","17.552","0.004","23.94","0.005","90","","90","","90","","2356.5","0.9","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0651","0.0586","","","0.1428","0.1464","","","","","","1.01","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028613","16.429","0.004","5.83","0.0014","25.749","0.006","90","","101.226","0.003","90","","2419.1","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","2","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0996","0.0611","","","0.141","0.162","","","","","","0.928","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028614","5.8548","0.0008","17.17","0.002","22.895","0.003","90","","90","","90","","2301.6","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C104 H124 N4 O24 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.063","0.0582","","","0.1246","0.1281","","","","","","1.005","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028615","9.5257","0.001","10.0665","0.0011","24.832","0.003","90","","90","","90","","2381.2","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C104 H124 N4 O24 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0481","0.0431","","","0.1145","0.1175","","","","","","1.024","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028616","8.585","0.008","8.79","0.008","12.585","0.011","89.579","0.012","82.776","0.011","67.638","0.01","870.5","1.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H47 N O11 -","- C38 H47 N O11 -","- C38 H47 N O11 -","1","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0777","0.0704","","","0.1957","0.2114","","","","","","1.039","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028617","19.0813","0.001","20.9562","0.0011","27.535","0.0013","69.762","0.004","81.598","0.004","74.116","0.005","9920.1","0.9","140","1","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C114 H136 O8 S4 -","- C113.35 H107 O8 S4 -","- C453.4 H428 O32 S16 -","4","2","","Hemant Gopee; Xiangfei Kong; Zhiqun He; Isabelle Chambrier; David L. Hughes; Graham J. Tizzard; Simon J. Coles; Andrew N. Cammidge","Expanded Porphyrin-like Structures Based on Twinned Triphenylenes","Journal of Organic Chemistry","2013","78","","9505","9511","10.1021/jo401551c","","","0.71073","Mo-Kα","","0.2002","0.1344","","","0.349","0.3962","","","","","","1.295","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028618","13.0439","0.0014","14.4112","0.0016","14.9721","0.0016","85.365","0.007","80.789","0.007","89.884","0.006","2768.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C126.66 H154.64 F8 N4 O10.66 -","- C126.66 H154.64 F8 N4 O10.66 -","- C126.66 H154.64 F8 N4 O10.66 -","1","0.5","","Hemant Gopee; Xiangfei Kong; Zhiqun He; Isabelle Chambrier; David L. Hughes; Graham J. Tizzard; Simon J. Coles; Andrew N. Cammidge","Expanded Porphyrin-like Structures Based on Twinned Triphenylenes","Journal of Organic Chemistry","2013","78","","9505","9511","10.1021/jo401551c","","","0.71075","MoKα","","0.2232","0.0835","","","0.1496","0.2041","","","","","","0.932","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028619","8.4971","0.0012","15.548","0.002","22.387","0.003","90","","100.734","0.003","90","","2905.9","0.7","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N2 S3 -","- C12 H20 N2 S3 -","- C96 H160 N16 S24 -","8","2","","Brandon Djukic; Alan J. Lough; Dwight S. Seferos","A Highly Electron-Deficient Analogue of Aniline, Soluble Oligomers, and Their Redox Properties","Journal of Organic Chemistry","2013","78","","9340","9344","10.1021/jo401565f","","","0.71073","MoKα","","0.0946","0.06","","","0.1363","0.155","","","","","","1.027","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028620","35.432","0.007","13.899","0.003","5.4329","0.0013","90","","91.627","0.005","90","","2674.5","1","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H28 N2 O S -","- C9 H14 N2 O S -","- C72 H112 N16 O8 S8 -","8","1","","Brandon Djukic; Alan J. Lough; Dwight S. Seferos","A Highly Electron-Deficient Analogue of Aniline, Soluble Oligomers, and Their Redox Properties","Journal of Organic Chemistry","2013","78","","9340","9344","10.1021/jo401565f","","","0.71073","MoKα","","0.0727","0.0554","","","0.1586","0.167","","","","","","1.189","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028621","9.477","0.004","8.93","0.004","19.082","0.008","90","","92.506","0.008","90","","1613.4","1.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C76 H68 Cl4 N8 O4 -","4","1","","Bin Li; Jianfeng Ma; Weijia Xie; Haibin Song; Shansheng Xu; Baiquan Wang","Ruthenium-Catalyzed Regioselective C2 Alkenylation of Indoles and Pyrroles via C-H Bond Functionalization","Journal of Organic Chemistry","2013","78","","9345","9353","10.1021/jo401579m","","","0.71073","MoKα","","0.0558","0.0459","","","0.1041","0.1099","","","","","","1.085","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028622","9.293","0.007","9.394","0.007","9.908","0.007","100.73","","114.079","0.01","108.951","0.009","694.2","0.9","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C32 H36 N4 O4 -","2","1","","Bin Li; Jianfeng Ma; Weijia Xie; Haibin Song; Shansheng Xu; Baiquan Wang","Ruthenium-Catalyzed Regioselective C2 Alkenylation of Indoles and Pyrroles via C-H Bond Functionalization","Journal of Organic Chemistry","2013","78","","9345","9353","10.1021/jo401579m","","","0.71073","MoKα","","0.0645","0.0366","","","0.079","0.0855","","","","","","1.014","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028623","6.0255","0.0003","16.0531","0.0009","11.7146","0.0006","90","","90.119","0.002","90","","1133.13","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Br N3 O6 -","- C20 H26 Br N3 O6 -","- C40 H52 Br2 N6 O12 -","2","1","","Mei-Xin Zhao; Hong-Lei Bi; Hao Zhou; Hui Yang; Min Shi","Cinchona Alkaloid Squaramide Catalyzed Enantioselective Hydrazination/Cyclization Cascade Reaction of α-Isocyanoacetates and Azodicarboxylates: Synthesis of Optically Active 1,2,4-Triazolines","Journal of Organic Chemistry","2013","78","","9377","9382","10.1021/jo401585v","","","0.71073","MoKα","","0.0671","0.0577","","","0.152","0.1613","","","","","","1.051","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028624","16.8589","0.0008","5.7629","0.0002","17.1929","0.0008","90","","97.666","0.003","90","","1655.47","0.12","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Cl N3 O -","- C19 H18 Cl N3 O -","- C76 H72 Cl4 N12 O4 -","4","1","","Takahiro Sawano; Keiyu Ou; Takahiro Nishimura; Tamio Hayashi","Cobalt-Catalyzed Asymmetric Addition of Silylacetylenes to 1,1-Disubstituted Allenes","Journal of Organic Chemistry","2013","78","","8986","8993","10.1021/jo401604n","","","1.54187","CuKα","","0.1483","0.0734","","","0.1445","0.2062","","","","","","1.087","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028625","10.2955","0.0019","21.256","0.004","8.892","0.0017","90","","91.858","0.005","90","","1944.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O6 -","- C23 H19 N O6 -","- C92 H76 N4 O24 -","4","1","","Yu-Jin Li; Huan-Ming Huang; Hua-Qing Dong; Jian-Hong Jia; Liang Han; Qing Ye; Jian-Rong Gao","The Synthesis of Benzo[f]isoindole-1,3-dicarboxylates via an I2-Induced 1,3-Dipolar Cycloaddition Reaction","Journal of Organic Chemistry","2013","78","","9424","9430","10.1021/jo401652k","","","0.71073","MoKα","","0.078","0.0489","","","0.1367","0.1605","","","","","","1.067","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028626","6.079","0.002","27.279","0.01","41.157","0.015","90","","90","","90","","6825","4","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","frojc03","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C312 H348 N12 O60 -","12","3","","Jennifer Ciesielski; Vincent Gandon; Alison J. Frontier","Cascade Cyclizations of Acyclic and Macrocyclic Alkynones: Studies toward the Synthesis of Phomactin A","Journal of Organic Chemistry","2013","78","","9541","9552","10.1021/jo4007514","","","0.71073","MoKα","","0.1624","0.0642","","","0.0973","0.1257","","","","","","1.004","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028627","11.4553","0.0002","8.5264","0.0001","16.0262","0.0003","90","","104.796","0.001","90","","1513.41","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","","Sandra Milosevic; Antonio Togni","Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines to Unsaturated Nitriles Catalyzed by NiII-Pigiphos","Journal of Organic Chemistry","2013","78","","9638","9646","10.1021/jo401247d","","","0.71073","MoKα","","0.0639","0.0428","","","0.1001","0.1089","","","","","","1.017","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028628","19.3207","0.0008","19.3207","0.0008","8.1719","0.0005","90","","90","","120","","2641.8","0.2","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C114 H96 Br6 N18 O6 -","6","1","","Sandra Milosevic; Antonio Togni","Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines to Unsaturated Nitriles Catalyzed by NiII-Pigiphos","Journal of Organic Chemistry","2013","78","","9638","9646","10.1021/jo401247d","","","0.71073","MoKα","","0.0421","0.0328","","","0.0718","0.0742","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028629","8.3131","0.0013","13.596","0.002","15.136","0.002","90","","90","","90","","1710.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Chih-Hau Chen; Gorakh S. Yellol; Cheng-Hsun Tsai; Prashant B. Dalvi; Chung-Ming Sun","Diastereoselective Synthesis of Bridged Polycyclic Alkaloids via Tandem Acylation/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","9738","9747","10.1021/jo401364s","","","0.71073","MoKα","","0.0419","0.0334","","","0.0797","0.0839","","","","","","1.082","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028630","11.0066","0.0007","10.7812","0.0006","17.4741","0.001","90","","96.936","0.001","90","","2058.4","0.2","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Chih-Hau Chen; Gorakh S. Yellol; Cheng-Hsun Tsai; Prashant B. Dalvi; Chung-Ming Sun","Diastereoselective Synthesis of Bridged Polycyclic Alkaloids via Tandem Acylation/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","9738","9747","10.1021/jo401364s","","x-ray","0.71073","MoKα","","0.05","0.0424","","","0.1351","0.1422","","","","","","1.399","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028631","17.627","0.004","16.321","0.004","5.5951","0.0012","90","","90","","90","","1609.7","0.6","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H19 N -","- C23 H19 N -","- C92 H76 N4 -","4","1","","Estela Álvarez; Patricia García-García; Manuel A. Fernández-Rodríguez; Roberto Sanz","Regioselective Synthesis of Elusive 4,9-Dihydro-1H-Carbazoles by Gold-Catalyzed Cycloisomerization of 3-Allenylmethylindoles","Journal of Organic Chemistry","2013","78","","9758","9771","10.1021/jo401388b","","","0.71073","MoKα","","0.0359","0.0337","","","0.0803","0.0828","","","","","","1.066","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028632","16.1213","0.0019","9.1571","0.0011","16.935","0.002","90","","98.899","0.002","90","","2469.9","0.5","90","2","90","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C46 H76 N8 O11 -","- C46 H76 N8 O11 -","- C92 H152 N16 O22 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0708","0.0695","","","0.185","0.1862","","","","","","1.211","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028633","9.6333","0.0011","35.622","0.004","10.5239","0.0012","90","","93.74","0.002","90","","3603.7","0.7","90","0.2","90","0.2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","","","- C59 H95 Cl9 N10 O13 -","- C59 H95 Cl9 N10 O13 -","- C118 H190 Cl18 N20 O26 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0385","0.0377","","","0.1017","0.1022","","","","","","1.028","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028634","16.235","0.002","9.2834","0.0012","17.084","0.002","90","","98.923","0.002","90","","2543.7","0.5","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C46 H76 N8 O11 -","- C46 H76 N8 O11 -","- C92 H152 N16 O22 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0538","0.0475","","","0.1309","0.1347","","","","","","1.035","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028635","7.4578","0.0007","9.7077","0.0008","50.505","0.004","90","","90","","90","","3656.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl0 N2 O2 -","- C9.06667 H19.2 Cl0.533333 N0.533333 -","- C136 H288 Cl8 N8 -","15","3.75","","Veerle Smout; Aldo Peschiulli; Stefan Verbeeck; Emily A. Mitchell; Wouter Herrebout; Patrick Bultinck; Christophe M. L. Vande Velde; Didier Berthelot; Lieven Meerpoel; Bert U. W. Maes","Removal of the Pyridine Directing Group from α-Substituted N-(Pyridin-2-yl)piperidines Obtained via Directed Ru-Catalyzed sp3 C-H Functionalization","Journal of Organic Chemistry","2013","78","","9803","9814","10.1021/jo401521y","","","0.71073","MoKα","","0.0679","0.0519","","","0.1166","0.1274","","","","","","1.063","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028636","10.5263","0.0012","8.212","0.001","31.305","0.004","90","","97.253","0.002","90","","2684.4","0.6","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Cl N2 O8 -","- C28 H35 Cl N2 O8 -","- C112 H140 Cl4 N8 O32 -","4","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1529","0.0658","","","0.142","0.1663","","","","","","0.99","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028637","6.536","0.001","15.092","0.002","16.092","0.003","114.521","0.003","99.953","0.003","93.66","0.003","1406.1","0.4","120","0.2","120","0.2","","","","","","","","5","P 1","P 1","1","","","","- C29 H37 I N2 O4 -","- C29 H37 I N2 O4 -","- C58 H74 I2 N4 O8 -","2","2","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.0679","0.0619","","","0.149","0.1521","","","","","","1.091","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028638","9.0052","0.0008","10.7537","0.0009","13.4745","0.0012","85.777","0.003","84.127","0.003","85.136","0.003","1290.6","0.2","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H35 I N2 O5 -","- C25 H35 I N2 O5 -","- C50 H70 I2 N4 O10 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.0849","0.0584","","","0.1583","0.1713","","","","","","1.043","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028639","8.9466","0.0008","10.8772","0.0009","13.6319","0.0012","85.65","0.005","84.387","0.005","85.205","0.005","1312.5","0.2","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H35 Cl N2 O9 -","- C25 H35 Cl N2 O9 -","- C50 H70 Cl2 N4 O18 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1807","0.0813","","","0.1898","0.2245","","","","","","0.902","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028640","9.0412","0.0003","20.3132","0.0006","17.2983","0.0005","90","","101.284","0.001","90","","3115.52","0.17","120","0.2","120","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Cl2 Li N2 O13 S -","- C26 H35 Cl2 Li N2 O13 S -","- C104 H140 Cl8 Li4 N8 O52 S4 -","4","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.0638","0.044","","","0.1115","0.1196","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028641","8.7392","0.0008","12.4179","0.0011","17.0087","0.0015","75.226","0.004","80.385","0.004","84.548","0.004","1757.1","0.3","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H37 Ba Cl3 N2 O18 S -","- C26 H37 Ba Cl3 N2 O18 S -","- C52 H74 Ba2 Cl6 N4 O36 S2 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1734","0.0885","","","0.1862","0.2162","","","","","","0.916","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028642","7.091","0.0009","14.0438","0.0015","17.133","0.002","98.366","0.01","93.94","0.007","94.9","0.006","1676.2","0.3","120","0.2","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 Cl2 Li N2 O14 -","- C30 H41 Cl2 Li N2 O14 -","- C60 H82 Cl4 Li2 N4 O28 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","1.54178","CuKα","","0.1819","0.1717","","","0.4619","0.4658","","","","","","1.18","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028643","8.3396","0.0006","9.657","0.0008","21.7107","0.0017","94.045","0.004","99.674","0.004","100.827","0.004","1683.5","0.2","120","0.2","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cl2 N2 Na O13 -","- C30 H39 Cl2 N2 Na O13 -","- C60 H78 Cl4 N4 Na2 O26 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1726","0.1069","","","0.2009","0.2193","","","","","","1.098","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028644","8.8035","0.0003","9.5442","0.0003","23.1098","0.0008","90.879","0.002","98.589","0.002","115.328","0.002","1728.57","0.11","120","0.2","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 K N2 O13.5 -","- C30 H40 Cl2 K N2 O13.5 -","- C60 H80 Cl4 K2 N4 O27 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.166","0.0964","","","0.2698","0.3077","","","","","","1.074","","","","has coordinates,has disorder","301812","2025-08-19","20:48:29",""
"4028645","8.2473","0.0002","10.037","0.0002","13.0591","0.0002","69.311","0.0012","79.7077","0.0014","70.2086","0.0012","949.42","0.03","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C9 H9 Br O4 -","- C9 H9 Br O4 -","- C36 H36 Br4 O16 -","4","2","","Aymeric Cervi; Paul Aillard; Nourallah Hazeri; Laurent Petit; Christina L. L. Chai; Anthony C. Willis; Martin G. Banwell","Total Syntheses of the Coumarin-Containing Natural Products Pimpinellin and Fraxetin Using Au(I)-Catalyzed Intramolecular Hydroarylation (IMHA) Chemistry","Journal of Organic Chemistry","2013","78","","9876","9882","10.1021/jo401583q","","","0.71073","MoKα","","0.0368","0.0298","","0.076","0.0717","0.076","","","","","","1.0162","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028646","8.5088","0.0007","15.6234","0.0015","18.1523","0.0013","112.714","0.004","95.776","0.005","104.045","0.004","2107.9","0.3","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C20 H30 O4 Si -","- C20 H30 O4 Si -","- C80 H120 O16 Si4 -","4","2","","Aymeric Cervi; Paul Aillard; Nourallah Hazeri; Laurent Petit; Christina L. L. Chai; Anthony C. Willis; Martin G. Banwell","Total Syntheses of the Coumarin-Containing Natural Products Pimpinellin and Fraxetin Using Au(I)-Catalyzed Intramolecular Hydroarylation (IMHA) Chemistry","Journal of Organic Chemistry","2013","78","","9876","9882","10.1021/jo401583q","","","0.71073","MoKα","","0.1945","0.0876","","0.2514","0.1886","0.2514","","","","","","0.9392","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028647","12.7674","0.0003","6.7691","0.0002","16.1154","0.0005","90","","99.797","0.002","90","","1372.44","0.07","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Aymeric Cervi; Paul Aillard; Nourallah Hazeri; Laurent Petit; Christina L. L. Chai; Anthony C. Willis; Martin G. Banwell","Total Syntheses of the Coumarin-Containing Natural Products Pimpinellin and Fraxetin Using Au(I)-Catalyzed Intramolecular Hydroarylation (IMHA) Chemistry","Journal of Organic Chemistry","2013","78","","9876","9882","10.1021/jo401583q","","","0.71073","MoKα","","0.073","0.0554","","0.1298","0.1209","0.1298","","","","","","1.0458","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028648","10.878","0.002","9.082","0.0018","16.052","0.003","90","","105.74","0.03","90","","1526.4","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 O2 -","- C17 H28 O2 -","- C68 H112 O8 -","4","1","","A. Fernández-Mateos; S. Encinas Madrazo; P. Herrero Teijón; R. Rabanedo Clemente; R. Rubio González; F. Sanz González","Synthesis of the BCDE Molecular Fragment of Azadiradione Mediated by Titanocene(III)","Journal of Organic Chemistry","2013","78","","9571","9578","10.1021/jo401646g","","","1.5418","CuKα","","0.0459","0.038","","","0.097","0.1015","","","","","","1.068","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028649","6.327","0.0013","16.604","0.003","16.389","0.003","90","","96.42","0.03","90","","1710.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","A. Fernández-Mateos; S. Encinas Madrazo; P. Herrero Teijón; R. Rabanedo Clemente; R. Rubio González; F. Sanz González","Synthesis of the BCDE Molecular Fragment of Azadiradione Mediated by Titanocene(III)","Journal of Organic Chemistry","2013","78","","9571","9578","10.1021/jo401646g","","","1.5418","CuKα","","0.1897","0.0498","","","0.0558","0.0867","","","","","","0.71","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028650","6.715","0.0013","11.402","0.002","13.724","0.003","86.58","0.03","86.95","0.03","74.18","0.03","1008.4","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","1","","A. Fernández-Mateos; S. Encinas Madrazo; P. Herrero Teijón; R. Rabanedo Clemente; R. Rubio González; F. Sanz González","Synthesis of the BCDE Molecular Fragment of Azadiradione Mediated by Titanocene(III)","Journal of Organic Chemistry","2013","78","","9571","9578","10.1021/jo401646g","","","1.5418","CuKα","","0.1318","0.0554","","","0.1337","0.235","","","","","","0.937","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028651","16.3251","0.0004","6.732","0.0002","21.6139","0.0005","90","","90","","90","","2375.38","0.11","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C120 H80 N32 -","8","1","","Styliana I. Mirallai; Manolis J. Manos; Panayiotis A. Koutentis","One-Step Conversion of 2-Amino-N'-arylbenzamidines into 3-Aryl-4-imino-3,4-dihydroquinazoline-2-carbonitriles Using 4,5-Dichloro-1,2,3-dithiazolium Chloride","Journal of Organic Chemistry","2013","78","","9906","9913","10.1021/jo401648t","","","0.71073","MoKα","","0.0425","0.0363","","","0.1096","0.1119","","","","","","1.08","","","","has coordinates","301812","2025-08-19","20:48:29",""
"4028652","14.026","0.003","13.368","0.003","8.2002","0.0016","90","","103.569","0.003","90","","1494.6","0.5","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 I N O5 -","- C14 H14 I N O5 -","- C56 H56 I4 N4 O20 -","4","1","","Anthony J. Pearson; Santanu Panda; Scott D. Bunge","Synthesis of a Potential Intermediate for TMC-95A via an Organocatalyzed Aldol Reaction","Journal of Organic Chemistry","2013","78","","9921","9928","10.1021/jo4017315","","","0.71073","MoKα","","0.0628","0.0592","","","0.2111","0.2162","","","","","","1.873","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028653","8.615","0.0007","10.6071","0.0009","11.8897","0.001","90","","90","","90","","1086.48","0.16","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Br N -","- C10 H18 Br N -","- C40 H72 Br4 N4 -","4","1","","Zachary D. Aron; Tatsuya Ito; Tricia L. May; Larry E. Overman; Jocelyn Wang","Enantioselective Synthesis of Angularly Substituted 1-Azabicylic Rings: Coupled Dynamic Kinetic Epimerization and Chirality Transfer","Journal of Organic Chemistry","2013","78","","9929","9948","10.1021/jo4018099","","","0.71073","MoKα","","0.0225","0.0214","","","0.0573","0.0581","","","","","","1.062","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028654","6.5683","0.0016","13.156","0.003","13.674","0.003","90","","90","","90","","1181.6","0.5","158","2","158","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Br N -","- C11 H20 Br N -","- C44 H80 Br4 N4 -","4","1","","Zachary D. Aron; Tatsuya Ito; Tricia L. May; Larry E. Overman; Jocelyn Wang","Enantioselective Synthesis of Angularly Substituted 1-Azabicylic Rings: Coupled Dynamic Kinetic Epimerization and Chirality Transfer","Journal of Organic Chemistry","2013","78","","9929","9948","10.1021/jo4018099","","","0.71073","MoKα","","0.0349","0.0295","","","0.0718","0.0737","","","","","","1.093","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028655","12.268","0.001","12.573","0.0008","18.1872","0.0011","88.879","0.005","77.687","0.006","63.913","0.007","2452.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H38 Cl6 N6 O2 Zn -","- C54 H38 Cl6 N6 O2 Zn -","- C108 H76 Cl12 N12 O4 Zn2 -","2","1","","Liguo Yang; Yang Zhou; Mengliang Zhu; Luyang Zhao; Liye Wei; Yongzhong Bian","Stereochemistry and Solid-State Structure of an Intrinsically Chiral Meso-Patterned Porphyrin: Case Study by NMR and Single-Crystal X-ray Diffraction Analysis","Journal of Organic Chemistry","2013","78","","9949","9955","10.1021/jo401825k","","","1.54178","CuKα","","0.1106","0.0925","","","0.2593","0.2754","","","","","","1.031","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028656","18.721","0.003","13.4029","0.0011","20.59","0.003","90","","115.365","0.017","90","","4668.3","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H40 Cl3 N5 O4 Zn -","- C53 H40 Cl3 N5 O4 Zn -","- C212 H160 Cl12 N20 O16 Zn4 -","4","2","","Liguo Yang; Yang Zhou; Mengliang Zhu; Luyang Zhao; Liye Wei; Yongzhong Bian","Stereochemistry and Solid-State Structure of an Intrinsically Chiral Meso-Patterned Porphyrin: Case Study by NMR and Single-Crystal X-ray Diffraction Analysis","Journal of Organic Chemistry","2013","78","","9949","9955","10.1021/jo401825k","","","0.71073","MoKα","","0.1872","0.0866","","","0.136","0.1661","","","","","","0.936","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028657","8.3822","0.0002","10.6016","0.0002","12.8429","0.0003","90","","90.375","0.002","90","","1141.26","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 O P -","- C14 H13 O P -","- C56 H52 O4 P4 -","4","2","","Damien J. Carr; Jaya Satyanarayana Kudavalli; Katherine S. Dunne; Helge Müller-Bunz; Declan G. Gilheany","Synthesis of 2,3-Dihydro-1-phenylbenzo[b]phosphole (1-Phenylphosphindane) and Its Use as a Mechanistic Test in the Asymmetric Appel Reaction: Decisive Evidence against Involvement of Pseudorotation in the Stereoselecting Step","Journal of Organic Chemistry","2013","78","","10500","10505","10.1021/jo401318g","","","0.71073","MoKα","","0.0344","0.0314","","","0.068","0.0704","","","","","","1.062","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028658","9.373","0.003","12.019","0.004","13.078","0.004","108.637","0.005","95.801","0.006","95.605","0.004","1375.6","0.8","100","2","100","2","","","101.325","","","","University Of Vienna, Department of Analytical Chemistry","6","P -1","-P 1","2","","Methylhydrogen[2-({2-[(2,6-dimethylphenyl)amino]-2-oxo-1-phenylethyl}amino) propane-2-yl]phosphonate","","- C24 H39 N2 O6 P S2 -","- C24 H39 N2 O6 P S2 -","- C48 H78 N4 O12 P2 S4 -","2","1","","Andrea F. G. Gargano; Stefanie Buchinger; Michal Kohout; Wolfgang Lindner; Michael Lämmerhofer","Single-Step Ugi Multicomponent Reaction for the Synthesis of Phosphopeptidomimetics","Journal of Organic Chemistry","2013","78","","10077","10087","10.1021/jo401372x","","x-ray","0.71073","","","0.1056","0.0691","","","0.1179","0.132","","","","","","1.093","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028659","10.433","0.005","24.96","0.005","8.832","0.005","90","","93.07","0.005","90","","2296.6","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rohanester","","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C112 H120 N8 O8 -","4","1","","Dattatraya H. Dethe; Rohan D. Erande; Alok Ranjan","Biomimetic Total Syntheses of Borreverine and Flinderole Alkaloids","Journal of Organic Chemistry","2013","78","","10106","10120","10.1021/jo4013833","","","0.71069","MoKα","","0.0556","0.0451","","","0.1127","0.121","","","","","","1.042","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028660","16.964","0.003","5.8359","0.001","12.553","0.002","90","","99.922","0.002","90","","1224.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F O2 -","- C17 H11 F O2 -","- C68 H44 F4 O8 -","4","1","","Yan He; Xinying Zhang; Nana Shen; Xuesen Fan","Tunable Synthesis of 3-Acyl-2-naphthols and 3-Substituted Isocoumarins via Jones Reagent Promoted Cascade Reactions of 2-(4-Hydroxy-but-1-ynyl)benzaldehydes","Journal of Organic Chemistry","2013","78","","10178","10191","10.1021/jo401502k","","","0.71073","MoKα","","0.0577","0.0382","","","0.0859","0.0979","","","","","","1.043","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028661","9.5226","0.0007","7.2796","0.0006","14.9337","0.0011","90","","98.656","0.003","90","","1023.42","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C50 H46 N2 O10 -","2","1","","Zhijie Mao; Aijun Lin; Yan Shi; Haibin Mao; Weipeng Li; Yixiang Cheng; Chengjian Zhu","Chiral Tertiary Amine Thiourea-Catalyzed Asymmetric Inverse-Electron-Demand Diels-Alder Reaction of Chromone Heterodienes Using 3-Vinylindoles as Dienophiles","Journal of Organic Chemistry","2013","78","","10233","10239","10.1021/jo401592w","","","1.54178","CuKα","","0.0321","0.0316","","","0.0875","0.0881","","","","","","1.063","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028662","11.9456","0.0011","12.2757","0.0012","18.78","0.002","90","","90","","90","","2753.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Jing Long; Ya-Hui Ding; Pan-Pan Wang; Quan Zhang; Yue Chen","Protection-Group-Free Semisyntheses of Parthenolide and Its Cyclopropyl Analogue","Journal of Organic Chemistry","2013","78","","10512","10518","10.1021/jo401606q","","","1.54187","CuKα","","0.0737","0.0683","","","0.1403","0.1499","","","","","","1.085","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028663","6.8519","0.0015","13.52","0.003","14.696","0.003","90","","90","","90","","1361.4","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Jing Long; Ya-Hui Ding; Pan-Pan Wang; Quan Zhang; Yue Chen","Protection-Group-Free Semisyntheses of Parthenolide and Its Cyclopropyl Analogue","Journal of Organic Chemistry","2013","78","","10512","10518","10.1021/jo401606q","","","0.71073","MoKα","","0.0362","0.032","","","0.071","0.0723","","","","","","1.037","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028664","10.0155","0.0009","12.2702","0.0011","17.6705","0.0015","90","","98.496","0","90","","2147.7","0.3","293","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3-diphenyl-4-(phenylethynyl)-3,4-dihydroquinazoline.","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","2","","R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy","Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy","Journal of Organic Chemistry","2013","78","","10240","10250","10.1021/jo401622r","","","0.71073","MoKα","","0.0311","0.0291","","","0.0752","0.0773","","","","","","1.101","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028665","11.7756","0.0007","14.3426","0.0008","18.5462","0.0011","90","","90","","90","","3132.3","0.3","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(5-nitro-1H-indol-3-yl)-2,3-diphenyl-3,4-dihydroquinazoline","","- C30 H22 Cl6 N4 O2 -","- C30 H22 Cl6 N4 O2 -","- C120 H88 Cl24 N16 O8 -","4","1","","R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy","Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy","Journal of Organic Chemistry","2013","78","","10240","10250","10.1021/jo401622r","","","0.71073","MoKα","","0.0939","0.0797","","","0.2195","0.2342","","","","","","1.035","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028666","9.7121","0.0011","14.0265","0.0015","18.387","0.002","102.35","0.002","105.074","0.002","107.157","0.002","2193.4","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(2,3-diphenyl-3,4-dihydroquinazolin-4-yl)-1-phenylethanone","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C112 H88 N8 O4 -","4","2","","R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy","Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy","Journal of Organic Chemistry","2013","78","","10240","10250","10.1021/jo401622r","","","0.71073","MoKα","","0.0684","0.0432","","","0.1083","0.1251","","","","","","1.016","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028667","15.6578","0.0002","9.2645","0.0001","26.7527","0.0003","90","","141.126","0.001","90","","2435.62","0.07","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 N O5 P -","- C21 H38 N O5 P -","- C84 H152 N4 O20 P4 -","4","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.081","0.0623","","","0.1645","0.1805","","","","","","1.032","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028668","8.5099","0.0002","10.6736","0.0003","14.6871","0.0005","93.028","0.001","105.023","0.001","92.048","0.002","1284.96","0.06","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C22 H40 N O5 P -","- C22 H40 N O5 P -","- C44 H80 N2 O10 P2 -","2","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.114","0.0678","","","0.1512","0.1784","","","","","","1.027","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028669","8.5111","0.0002","11.5511","0.0003","14.0074","0.0004","90.043","0.0008","97.5179","0.0009","103.211","0.002","1328.46","0.06","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H40 N O6 P -","- C23 H40 N O6 P -","- C46 H80 N2 O12 P2 -","2","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.0883","0.0624","","","0.1737","0.2046","","","","","","1.141","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028670","11.6028","0.0006","33.574","0.002","12.8315","0.0008","90","","99.94","0.002","90","","4923.5","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 N O5 P -","- C21 H38 N O5 P -","- C168 H304 N8 O40 P8 -","8","2","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.3037","0.1465","","","0.3201","0.421","","","","","","1.047","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028671","8.1829","0.0002","37.5161","0.0008","8.6128","0.0002","90","","108.326","0.001","90","","2509.95","0.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 N O5 P -","- C22 H40 N O5 P -","- C88 H160 N4 O20 P4 -","4","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.0976","0.0682","","","0.1849","0.2131","","","","","","1.149","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028672","9.8626","0.0002","12.0215","0.0003","12.6871","0.0004","83.195","0.001","70.494","0.001","69.459","0.001","1327.74","0.06","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H40 N O6 P -","- C23 H40 N O6 P -","- C46 H80 N2 O12 P2 -","2","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.1365","0.0764","","","0.2049","0.2643","","","","","","1.124","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028673","34.8838","0.0004","9.9827","0.0002","20.1591","0.0003","90","","121.084","0.001","90","","6012.09","0.18","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 N O6 P -","- C28 H42 N O6 P -","- C224 H336 N8 O48 P8 -","8","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.1181","0.0743","","","0.1898","0.2265","","","","","","1.019","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028674","8.411","0.002","10.24","0.003","30.534","0.008","90","","90","","90","","2629.9","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O8 -","- C24 H40 N2 O8 -","- C96 H160 N8 O32 -","4","1","","Jian-She Zhu; Shinpei Nakagawa; Wei Chen; Isao Adachi; Yue-Mei Jia; Xiang-Guo Hu; George W. J. Fleet; Francis X. Wilson; Teruhiko Nitoda; Graeme Horne; Renate van Well; Atsushi Kato; Chu-Yi Yu","Synthesis of Eight Stereoisomers of Pochonicine: Nanomolar Inhibition of β-N-Acetylhexosaminidases","Journal of Organic Chemistry","2013","78","","10298","10309","10.1021/jo401694e","","","0.71073","MoKα","","0.0418","0.0398","","","0.1056","0.1136","","","","","","1.172","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028675","20.32","0.003","20.32","0.003","8.7899","0.0018","90","","90","","90","","3629.4","1.1","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C19 H18 Br Cl N2 -","- C19 H18 Br Cl N2 -","- C152 H144 Br8 Cl8 N16 -","8","1","","Bifu Liu; Hanling Gao; Yue Yu; Wanqing Wu; Huanfeng Jiang","Palladium-Catalyzed Intermolecular Aerobic Oxidative Cyclization of 2-Ethynylanilines with Isocyanides: Regioselective Synthesis of 4-Halo-2-aminoquinolines","Journal of Organic Chemistry","2013","78","","10319","10328","10.1021/jo401707j","","","0.71073","MoKα","","0.0726","0.0506","","","0.1456","0.159","","","","","","1.017","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028676","9.806","0.003","15.377","0.005","24.836","0.008","88.03","0.004","88.733","0.004","82.218","0.004","3708","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O0 -","- C33 H26 N2 -","- C198 H156 N12 -","6","3","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.3235","0.0769","","","0.1007","0.15","","","","","","0.976","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028677","10.872","0.01","38.16","0.04","11.993","0.011","90","","103.084","0.014","90","","4846","8","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N3 -","- C32 H25 N3 -","- C256 H200 N24 -","8","2","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.1467","0.0521","","","0.0935","0.1147","","","","","","1.006","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028678","9.488","0.005","9.065","0.005","29.064","0.005","90","0.005","98.599","0.005","90","0.005","2471.7","1.9","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- C32 H25 N3 -","- C32 H25 N3 -","- C128 H100 N12 -","4","4","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71069","MoKα","","0.0731","0.0517","","","0.1368","0.1558","","","","","","1.081","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028679","9.7586","0.0012","15.4226","0.0019","24.439","0.003","88.839","0.002","89.37","0.002","82.413","0.002","3645.1","0.8","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 N3 -","- C32 H25 N3 -","- C192 H150 N18 -","6","3","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.1438","0.0535","","","0.1265","0.1875","","","","","","0.93","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028680","10.453","","15.215","","24.84","","98.78","","97.42","","95.99","","3840.47","","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O -","- C33 H26 N2 O -","- C198 H156 N12 O6 -","6","3","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.2291","0.1109","","","0.2977","0.3433","","","","","","1.485","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028681","9.289","0.005","9.45","0.005","17.389","0.005","83.091","0.005","89.713","0.005","74.588","0.005","1460.3","1.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H35 N3 -","- C37 H35 N3 -","- C74 H70 N6 -","2","1","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71069","MoKα","","0.0569","0.0447","","","0.1429","0.1589","","","","","","1.146","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028682","9.2815","0.001","9.4972","0.001","17.4636","0.0019","83.778","0.001","89.848","0.002","74.469","0.001","1473.9","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H35 N3 O -","- C37 H35 N3 O -","- C74 H70 N6 O2 -","2","1","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.0869","0.0508","","","0.1353","0.1703","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028683","24.174","0.005","9.8145","0.0019","11.092","0.002","90","","99.977","0.003","90","","2591.8","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O -","- C34 H28 N2 O -","- C136 H112 N8 O4 -","4","1","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.1302","0.0691","","","0.2151","0.2915","","","","","","0.95","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028684","6.965","0.0003","8.1765","0.0003","8.7646","0.0003","90","","99.001","0.001","90","","492.99","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 Br2 O3 -","- C9 H8 Br2 O3 -","- C18 H16 Br4 O6 -","2","1","","Michael D. VanHeyst; E. Zachary Oblak; Dennis L. Wright","Stereodivergent Resolution of Oxabicyclic Ketones: Preparation of Key Intermediates for Platensimycin and Other Natural Products","Journal of Organic Chemistry","2013","78","","10555","10559","10.1021/jo4017502","","","1.54178","CuKα","","0.044","0.044","","","0.1144","0.1144","","","","","","1.16","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028685","6.094","0.0005","16.4155","0.0018","19.6133","0.0012","90","","90","","90","","1962","0.3","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N O4 P S -","- C19 H22 N O4 P S -","- C76 H88 N4 O16 P4 S4 -","4","1","","Wen-Yong Han; Jian-Qiang Zhao; Zhi-Jun Wu; Xiao-Mei Zhang; Wei-Cheng Yuan","Asymmetric Synthesis of β-Hydroxy-α-amino Phosphonic Acid Derivatives via Organocatalytic Direct Aldol Reaction of α-Isothiocyanato Phosphonates with Aldehydes","Journal of Organic Chemistry","2013","78","","10541","10547","10.1021/jo401779x","","","0.71073","MoKα","","0.1007","0.0611","","","0.1313","0.158","","","","","","1.019","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028686","10.9516","0.0007","7.0293","0.0004","21.4714","0.0013","90","","99.065","0.004","90","","1632.27","0.17","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Seema Dhiman; S. S. V. Ramasastry","Acid Catalyzed Ring Transformation of Benzofurans to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2013","78","","10427","10436","10.1021/jo4018233","","","0.71073","MoKα","","0.1336","0.0799","","","0.2048","0.2358","","","","","","1.031","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028687","7.3627","0.001","16.577","0.002","11.7672","0.0016","90","","93.907","0.007","90","","1432.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Seema Dhiman; S. S. V. Ramasastry","Acid Catalyzed Ring Transformation of Benzofurans to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2013","78","","10427","10436","10.1021/jo4018233","","","0.71073","MoKα","","0.087","0.067","","","0.2004","0.2224","","","","","","1.045","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028688","10.4834","0.0005","10.8984","0.0005","11.9384","0.0006","63.43","0.003","69.213","0.003","73.77","0.003","1128.57","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N O3 -","- C31 H19 N O3 -","- C62 H38 N2 O6 -","2","1","","Jin-Wei Sun; Xiang-Shan Wang; Yun Liu","Copper(II)-Catalyzed Sequential C,N-Difunctionalization of 1,4-Naphthoquinone for the Synthesis of Benzo[f]indole-4,9-diones under Base-Free Condition","Journal of Organic Chemistry","2013","78","","10560","10566","10.1021/jo401842d","","","0.71073","MoKα","","0.0504","0.0363","","","0.1111","0.1247","","","","","","0.941","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028689","8.7295","0.0003","9.9483","0.0002","13.9369","0.0004","96.205","0.002","104.131","0.003","100.355","0.002","1139.85","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N O4 S -","- C12 H11 N O4 S -","- C48 H44 N4 O16 S4 -","4","2","","Kimberly Geoghegan; Shaun Smullen; Paul Evans","Halonium Ion Triggered Rearrangement of Unsaturated Benzo-Annulated Bi- and Tricyclic Sulfonamides","Journal of Organic Chemistry","2013","78","","10443","10451","10.1021/jo401888f","","","1.54184","CuKα","","0.0585","0.0557","","","0.1371","0.1388","","","","","","1.092","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028690","11.8097","0.0002","18.801","0.0003","7.3495","0.0001","90","","102.774","0.002","90","","1591.45","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br2 N O4 S -","- C15 H13 Br2 N O4 S -","- C60 H52 Br8 N4 O16 S4 -","4","1","","Kimberly Geoghegan; Shaun Smullen; Paul Evans","Halonium Ion Triggered Rearrangement of Unsaturated Benzo-Annulated Bi- and Tricyclic Sulfonamides","Journal of Organic Chemistry","2013","78","","10443","10451","10.1021/jo401888f","","","0.71073","MoKα","","0.0342","0.0303","","","0.0654","0.0672","","","","","","1.056","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028691","10.519","0.006","14.773","0.007","8.352","0.004","90","","97.208","0.01","90","","1287.6","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","Chia-Wei Chang; Chi-Cheng Wu; Yung-Yu Chang; Chia-Chi Lin; Tun-Cheng Chien","Synthesis and Unexpected Oxidization of the Tricyclic Core of Ugibohlin, Isophakellin, and Styloguanidine","Journal of Organic Chemistry","2013","78","","10459","10468","10.1021/jo401911a","","","0.71073","MoKα","","0.1482","0.0599","","","0.1352","0.1716","","","","","","0.935","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028692","17.561","0.004","7.9588","0.0016","13.637","0.003","90","","91.7","0.03","90","","1905.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N O4 -","- C22 H18 Cl N O4 -","- C88 H72 Cl4 N4 O16 -","4","1","","Rong Zhou; Jianfang Wang; Jia Yu; Zhengjie He","Highly Chemoselective Rauhut-Currier Reaction between Maleimides and Enones and Dual Phosphine-Mediated One-Pot Synthesis of Bicyclic and Polycyclic Skeletons","Journal of Organic Chemistry","2013","78","","10596","10604","10.1021/jo401363u","","","0.71073","MoKα","","0.099","0.0604","","","0.1419","0.1634","","","","","","1.068","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028693","7.091","0.003","9.47","0.004","23.278","0.009","90","","98.522","0.003","90","","1545.9","1.1","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Rong Zhou; Jianfang Wang; Jia Yu; Zhengjie He","Highly Chemoselective Rauhut-Currier Reaction between Maleimides and Enones and Dual Phosphine-Mediated One-Pot Synthesis of Bicyclic and Polycyclic Skeletons","Journal of Organic Chemistry","2013","78","","10596","10604","10.1021/jo401363u","","","0.71073","MoKα","","0.047","0.0377","","","0.0947","0.1001","","","","","","1.008","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028694","26.627","0.005","10.341","0.002","19.766","0.004","90","","105.09","0.03","90","","5254.9","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl N O3 S -","- C31 H26 Cl N O3 S -","- C248 H208 Cl8 N8 O24 S8 -","8","2","","Li-Rong Wen; Tao He; Ming-Chao Lan; Ming Li","Three-Component Cascade Annulation of β-Ketothioamides Promoted by CF3CH2OH: A Regioselective Synthesis of Tetrasubstituted Thiophenes","Journal of Organic Chemistry","2013","78","","10617","10628","10.1021/jo401397d","","","0.71073","MoKα","","0.1031","0.0856","","","0.1414","0.1477","","","","","","1.283","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028695","14.0817","0.0014","9.5974","0.001","23.03","0.002","90","","90","","90","","3112.5","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C136 H176 N16 O16 -","8","1","","Kiran Indukuri; R. Unnava; Manash J. Deka; Anil K. Saikia","Stereoselective Synthesis of Amido and Phenyl Azabicyclic Derivatives via a Tandem Aza Prins-Ritter/Friedel-Crafts Type Reaction of Endocyclic N-Acyliminium Ions","Journal of Organic Chemistry","2013","78","","10629","10641","10.1021/jo401450j","","","0.71073","MoKα","","0.0558","0.043","","","0.1363","0.1489","","","","","","1.137","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028696","10.493","0.002","19.484","0.004","11.334","0.002","90","","122.064","0.014","90","","1963.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Kiran Indukuri; R. Unnava; Manash J. Deka; Anil K. Saikia","Stereoselective Synthesis of Amido and Phenyl Azabicyclic Derivatives via a Tandem Aza Prins-Ritter/Friedel-Crafts Type Reaction of Endocyclic N-Acyliminium Ions","Journal of Organic Chemistry","2013","78","","10629","10641","10.1021/jo401450j","","","0.71073","MoKα","","0.0683","0.0425","","","0.0605","0.0632","","","","","","1.695","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028697","8.5555","0.0003","10.1638","0.0004","19.309","0.0008","90","","90","","90","","1679.04","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 F3 O2 S -","- C18 H15 F3 O2 S -","- C72 H60 F12 O8 S4 -","4","1","","Yu Su; Jun-Bing Ling; Shuang Zhang; Peng-Fei Xu","Organocatalytic Cascade Sulfa-Michael/Aldol Reaction of β,β-Disubstituted Enones: Enantioselective Synthesis of Tetrahydrothiophenes with a Trifluoromethylated Quaternary Center","Journal of Organic Chemistry","2013","78","","11053","11058","10.1021/jo4016024","","","0.7107","MoKα","","0.079","0.0504","","","0.1357","0.1707","","","","","","0.931","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028698","12.2436","0.0004","14.2193","0.0004","14.3945","0.0004","86.147","0.002","66.914","0.003","69.377","0.003","2150.27","0.13","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H50 N4 O3 -","- C54 H50 N4 O3 -","- C108 H100 N8 O6 -","2","1","","Zhanqian Yu; Marcin Ptaszek","Near-IR Emissive Chlorin-Bacteriochlorin Energy-Transfer Dyads with a Common Donor and Acceptors with Tunable Emission Wavelength","Journal of Organic Chemistry","2013","78","","10678","10691","10.1021/jo4016858","","","0.71073","MoKα","","0.0563","0.0422","","","0.1156","0.1226","","","","","","1.052","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028699","21.212","","13.035","","8.79","","90","","105.71","","90","","2339.63","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H29 N O4 -","- C27 H29 N O4 -","- C108 H116 N4 O16 -","4","1","","Antonio Salomone; Filippo Maria Perna; Francesca Claudia Sassone; Aurelia Falcicchio; Jure Bezenšek; Jurij Svete; Branko Stanovnik; Saverio Florio; Vito Capriati","Preparation of Polysubstituted Isochromanes by Addition of ortho-Lithiated Aryloxiranes to Enaminones","Journal of Organic Chemistry","2013","78","","11059","11065","10.1021/jo401689e","","","0.71073","MoKα","","0.1773","0.0768","","","0.1435","0.1827","","","","","","0.99","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028700","10.7365","0.0016","12.0629","0.0018","15.643","0.002","71.062","0.002","84.577","0.002","67.378","0.002","1767.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H56 N4 O2 -","- C37 H56 N4 O2 -","- C74 H112 N8 O4 -","2","1","","Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han","Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines","Journal of Organic Chemistry","2013","78","","10692","10704","10.1021/jo4016908","","","0.71073","MoKα","","0.0668","0.0472","","","0.1447","0.1737","","","","","","1.169","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028701","10.7783","0.0006","31.1615","0.0016","11.9415","0.0007","90","","113.234","0.007","90","","3685.5","0.4","121.16","0.1","121.16","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H59 N4 O2 -","- C39 H59 N4 O2 -","- C156 H236 N16 O8 -","4","1","","Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han","Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines","Journal of Organic Chemistry","2013","78","","10692","10704","10.1021/jo4016908","","","0.7107","MoKα","","0.1414","0.0747","","","0.1524","0.1875","","","","","","1.033","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028702","8.1683","0.0002","29.6471","0.0007","15.348","0.0004","90","","102.95","0.002","90","","3622.24","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H59 N2 O2 -","- C39 H58 N4 O2 -","- C156 H232 N16 O8 -","4","1","","Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han","Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines","Journal of Organic Chemistry","2013","78","","10692","10704","10.1021/jo4016908","","","1.54184","CuKα","","0.0644","0.0566","","","0.1606","0.1691","","","","","","1.07","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028703","11.281","0.002","8.8295","0.0018","17.148","0.003","90","","95.77","0.03","90","","1699.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-bis[(4-benzyl)imidazo-pyridinium]ethane triflate","2,2'-(ethane-1,2-diyl)bis(4-benzyl-3H-imidazo[4,5-c]pyridin-4-ium) triflate","","- C30 H30 F6 N6 O8 S2 -","- C30 H30 F6 N6 O8 S2 -","- C60 H60 F12 N12 O16 S4 -","2","0.5","","Surisadai I. Moreno-Olivares; Ruy Cervantes; Jorge Tiburcio","Complexation of Imidazopyridine-Based Cations with a 24-Crown-8 Ether Host: [2]Pseudorotaxane and Partially Threaded Structures","Journal of Organic Chemistry","2013","78","","10724","10731","10.1021/jo401701m","","","0.71073","MoKα","","0.203","0.1207","","","0.2045","0.2448","","","","","","1.194","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028704","12.368","0.003","10.385","0.002","25.353","0.005","90","","90.87","0.03","90","","3256","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[2]pseudorotaxane: 1,2-bis[(4-benzyl)imidazo-pyridinium]ethane DB24C8 triflate","[2]pseudorotaxane","","- C56 H60 F12 N6 O20 S4 -","- C56 H60 F12 N6 O20 S4 -","- C112 H120 F24 N12 O40 S8 -","2","0.5","","Surisadai I. Moreno-Olivares; Ruy Cervantes; Jorge Tiburcio","Complexation of Imidazopyridine-Based Cations with a 24-Crown-8 Ether Host: [2]Pseudorotaxane and Partially Threaded Structures","Journal of Organic Chemistry","2013","78","","10724","10731","10.1021/jo401701m","","","0.71073","MoKα","","0.1949","0.0939","","","0.2417","0.2958","","","","","","1.058","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028705","9.925","0.0012","12.232","0.0012","25.401","0.0012","90","","97.864","0.001","90","","3054.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-bis[(3-benzyl)imidazo-pyridinium]ethane bromide","2,2'-(ethane-1,2-diyl)bis(4-benzyl-3H-imidazo[4,5-b]pyridin-4-ium) bromide","","- C29 H27 Br2 Cl3 N6 -","- C29 H27 Br2 Cl3 N6 -","- C116 H108 Br8 Cl12 N24 -","4","1","","Surisadai I. Moreno-Olivares; Ruy Cervantes; Jorge Tiburcio","Complexation of Imidazopyridine-Based Cations with a 24-Crown-8 Ether Host: [2]Pseudorotaxane and Partially Threaded Structures","Journal of Organic Chemistry","2013","78","","10724","10731","10.1021/jo401701m","","","0.71073","MoKα","","0.1652","0.0746","","","0.1652","0.2026","","","","","","1.031","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028706","13.3203","0.0003","13.3203","0.0003","18.4658","0.0003","90","","90","","90","","3276.39","0.12","173","2","173","2","","","","","","","","3","P 43","P 4cw","78","","","","- C34 H36 O10 -","- C34 H36 O10 -","- C136 H144 O40 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.08","0.0606","","","0.1585","0.1727","","","","","","1.021","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028707","13.1405","0.0005","9.1003","0.0003","14.1366","0.0004","90","","97.09","0.003","90","","1677.56","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 Br O7 -","- C14 H21 Br O7 -","- C56 H84 Br4 O28 -","4","2","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0617","0.0397","","","0.0757","0.0788","","","","","","0.869","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028708","10.7518","0.0003","17.896","0.0006","16.0933","0.0004","90","","90.165","0.002","90","","3096.57","0.16","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O9 -","- C20 H30 O9 -","- C120 H180 O54 -","6","3","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0436","0.0289","","","0.0532","0.0554","","","","","","0.878","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028709","6.0447","0.0003","6.9522","0.0004","7.2801","0.0005","72.905","0.004","71.641","0.003","69.728","0.004","266.45","0.03","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C10 H16 O5 -","1","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0411","0.0387","","","0.1038","0.1066","","","","","","1.059","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028710","8.4976","0.0005","5.2988","0.0003","11.0339","0.0007","90","","93.476","0.005","90","","495.91","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0464","0.033","","","0.0595","0.062","","","","","","0.957","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028711","14.6591","0.0006","5.2307","0.0002","18.5204","0.0008","90","","105.576","0.002","90","","1367.94","0.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H38 O8 -","- C29 H38 O8 -","- C58 H76 O16 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0766","0.0484","","","0.0945","0.1048","","","","","","1.055","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028712","7.1089","0.0003","7.2805","0.0003","20.2476","0.0008","90","","90","","90","","1047.94","0.07","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0521","0.0339","","","0.0686","0.0717","","","","","","0.878","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028713","8.785","0.0003","10.6361","0.0004","38.731","0.0019","90","","90","","90","","3619","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H56 O5 Si2 -","- C35 H56 O5 Si2 -","- C140 H224 O20 Si8 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0866","0.0509","","","0.0933","0.1001","","","","","","0.928","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028714","10.6997","0.0006","9.6647","0.0007","10.9106","0.0006","90","","91.772","0.005","90","","1127.72","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H28 O5 -","- C27 H28 O5 -","- C54 H56 O10 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0864","0.04","","","0.0639","0.07","","","","","","0.782","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028715","6.56651","0.00013","11.1912","0.0003","22.4202","0.0005","90","","90","","90","","1647.6","0.07","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O2 S -","- C17 H20 N2 O2 S -","- C68 H80 N8 O8 S4 -","4","1","","Yuka Amako; Hiroto Hori; Shigeru Arai; Atsushi Nishida","Regioselective Hydronickelation of Allenes and Its Application to the Hydrocyanative Carbocyclization Reaction of Allene-Ynes and Bis-Allenes","Journal of Organic Chemistry","2013","78","","10763","10775","10.1021/jo401758v","","","1.54187","CuKα","","0.0591","0.0536","","","0.1317","0.1365","","","","","","1.11","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028716","11.9965","0.0008","11.3182","0.0008","11.3721","0.0008","90","","97.065","0.001","90","","1532.37","0.18","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Yuka Amako; Hiroto Hori; Shigeru Arai; Atsushi Nishida","Regioselective Hydronickelation of Allenes and Its Application to the Hydrocyanative Carbocyclization Reaction of Allene-Ynes and Bis-Allenes","Journal of Organic Chemistry","2013","78","","10763","10775","10.1021/jo401758v","","","0.71073","MoKα","","0.0451","0.0349","","","0.1102","0.1249","","","","","","0.867","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028717","11.0701","0.0017","10.7138","0.0016","15.567","0.002","90","","91.745","0.002","90","","1845.4","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O4 S -","- C19 H24 N2 O2 S -","- C76 H96 N8 O8 S4 -","4","1","","Yuka Amako; Hiroto Hori; Shigeru Arai; Atsushi Nishida","Regioselective Hydronickelation of Allenes and Its Application to the Hydrocyanative Carbocyclization Reaction of Allene-Ynes and Bis-Allenes","Journal of Organic Chemistry","2013","78","","10763","10775","10.1021/jo401758v","","","0.71073","MoKα","","0.0626","0.0578","","","0.2085","0.2187","","","","","","1.783","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028718","14.0247","0.0006","7.4097","0.0003","14.5049","0.0007","90","","94.837","0.003","90","","1501.96","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3aa","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Zeng Li; Jing Li; Nan Yang; Ying Chen; Yu Zhou; Xun Ji; Lei Zhang; Jinfang Wang; Xin Xie; Hong Liu","Gold(I)-Catalyzed Cascade Approach for the Synthesis of Tryptamine-Based Polycyclic Privileged Scaffolds as α1-Adrenergic Receptor Antagonists","Journal of Organic Chemistry","2013","78","","10802","10811","10.1021/jo4017887","","","0.71073","MoKα","","0.1016","0.0515","","","0.1164","0.1363","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028719","11.3759","0.0003","13.0992","0.0004","11.4895","0.0003","90","","92.179","0.001","90","","1710.87","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3be","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Zeng Li; Jing Li; Nan Yang; Ying Chen; Yu Zhou; Xun Ji; Lei Zhang; Jinfang Wang; Xin Xie; Hong Liu","Gold(I)-Catalyzed Cascade Approach for the Synthesis of Tryptamine-Based Polycyclic Privileged Scaffolds as α1-Adrenergic Receptor Antagonists","Journal of Organic Chemistry","2013","78","","10802","10811","10.1021/jo4017887","","","0.71073","MoKα","","0.0472","0.0379","","","0.0885","0.0942","","","","","","0.992","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028720","6.999","0.005","11.729","0.009","21.182","0.016","90","","96.41","0.03","90","","1728","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Zeng Li; Jing Li; Nan Yang; Ying Chen; Yu Zhou; Xun Ji; Lei Zhang; Jinfang Wang; Xin Xie; Hong Liu","Gold(I)-Catalyzed Cascade Approach for the Synthesis of Tryptamine-Based Polycyclic Privileged Scaffolds as α1-Adrenergic Receptor Antagonists","Journal of Organic Chemistry","2013","78","","10802","10811","10.1021/jo4017887","","","0.71073","MoKα","","0.1613","0.0602","","","0.1082","0.1372","","","","","","0.986","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028721","9.873","0.004","14.973","0.006","38.333","0.014","90","","91.692","0.012","90","","5664","4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 F12 N4 Si2 -","- C62 H56 F12 N4 Si2 -","- C248 H224 F48 N16 Si8 -","4","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1702","0.0726","","","0.1755","0.228","","","","","","1.01","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028722","8.6544","0.0009","12.7016","0.0013","21.437","0.002","100.096","0.002","96.605","0.002","103.513","0.002","2225.6","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H49 F9 N2 Si2 -","- C48 H49 F9 N2 Si2 -","- C96 H98 F18 N4 Si4 -","2","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1012","0.0551","","","0.1204","0.1485","","","","","","1.032","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028723","7.5628","0.0005","7.661","0.0006","17.1065","0.0013","89.004","0.002","78.407","0.002","85.986","0.002","968.52","0.12","220","2","220","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H48 F4 N4 Si2 -","- C40 H48 F4 N4 Si2 -","- C40 H48 F4 N4 Si2 -","1","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1189","0.0823","","","0.1867","0.2147","","","","","","0.972","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028724","7.6461","0.0017","7.6728","0.0017","16.941","0.004","89.462","0.005","78.563","0.005","84.127","0.005","969","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 F4 N4 Si2 -","- C40 H46 F4 N4 Si2 -","- C40 H46 F4 N4 Si2 -","1","0.5","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1104","0.0649","","","0.1439","0.1618","","","","","","1.059","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028725","7.7917","0.0009","16.4403","0.0019","17.186","0.002","76.699","0.008","89.404","0.009","84.78","0.008","2133.4","0.4","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H48 F6 N4 Si2 -","- C44 H48 F6 N4 Si2 -","- C88 H96 F12 N8 Si4 -","2","2","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1823","0.0896","","","0.2038","0.2589","","","","","","1.017","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028726","11.8699","0.0012","27.928","0.003","7.6424","0.0007","90","","90.309","0.002","90","","2533.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C104 H144 O48 -","8","2","","G. Hari Mangeswara Rao; Faiz Ahmed Khan","An Unusual Fragmentation of Oxetane-Embedded Tetracyclic Ketal Systems","Journal of Organic Chemistry","2013","78","","11092","11095","10.1021/jo401870s","","","0.71073","MoKα","","0.1359","0.0826","","","0.1329","0.1679","","","","","","1.044","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028727","7.5473","0.0013","8.2391","0.0014","12.532","0.002","80.767","0.003","80.035","0.003","84.869","0.003","756.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 Cl O6 -","- C14 H21 Cl O6 -","- C28 H42 Cl2 O12 -","2","1","","G. Hari Mangeswara Rao; Faiz Ahmed Khan","An Unusual Fragmentation of Oxetane-Embedded Tetracyclic Ketal Systems","Journal of Organic Chemistry","2013","78","","11092","11095","10.1021/jo401870s","","","0.71073","MoKα","","0.0801","0.0575","","","0.1315","0.1899","","","","","","1.193","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028728","5.9205","0.0006","11.3365","0.0013","29.609","0.003","90","","90","","90","","1987.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Zenghui Lu; Fang Luo; Lina Wang; Gangguo Zhu","Palladium-Catalyzed Direct Alkenylation of 2-Oxazolones: An Entry to 3,4,5-Trisubstituted 2-Oxazolones","Journal of Organic Chemistry","2013","78","","10894","10901","10.1021/jo4018793","","","0.71073","MoKα","","0.1069","0.0464","","","0.1006","0.1241","","","","","","0.926","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028729","9.4027","0.0006","10.4191","0.0006","10.7784","0.0006","76.963","0.004","80.402","0.004","68.227","0.004","951.3","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Zenghui Lu; Fang Luo; Lina Wang; Gangguo Zhu","Palladium-Catalyzed Direct Alkenylation of 2-Oxazolones: An Entry to 3,4,5-Trisubstituted 2-Oxazolones","Journal of Organic Chemistry","2013","78","","10894","10901","10.1021/jo4018793","","","0.71073","MoKα","","0.0781","0.0444","","","0.1077","0.1264","","","","","","1.029","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028730","9.5467","0.0002","14.4083","0.0004","13.2429","0.0004","90","","92.938","0.003","90","","1819.19","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O -","- C26 H21 N O -","- C104 H84 N4 O4 -","4","1","","Frank D. King; Abil E. Aliev; Stephen Caddick; Derek A. Tocher","The Triflic Acid-Mediated Cyclization Reactions of N-Cinnamoyl-1-Naphthylamines","Journal of Organic Chemistry","2013","78","","10938","10946","10.1021/jo4018827","","","1.5418","CuKα","","0.0483","0.04","","","0.0957","0.1023","","","","","","1.021","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028731","13.01","0.017","18.68","0.02","7.224","0.009","90","","90","","90","","1756","4","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C38 H62 O4 -","- C38 H62 O4 -","- C76 H124 O8 -","2","0.5","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","0.71073","MoKα","","0.0713","0.0455","","","0.094","0.1057","","","","","","1.02","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028732","9.259","0.004","6.367","0.002","18.158","0.012","90","","97.41","0.04","90","","1061.5","0.9","282","4","282","4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N O2 -","- C10 H18 N O2 -","- C40 H72 N4 O8 -","4","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","0.71073","MoKα","","0.0763","0.0586","","","0.1498","0.1677","","","","","","1.066","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028733","6.761","0.009","9.463","0.013","10.518","0.014","90","","105.293","0.016","90","","649.1","1.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C28 H44 O8 -","2","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","0.71073","MoKα","","0.1581","0.0536","","","0.0874","0.1083","","","","","","0.982","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028734","14.8934","0.0008","11.7913","0.0006","19.2041","0.0018","90","","90","","90","","3372.5","0.4","301.19","0.1","301.19","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N2 O4 -","- C18 H23 N2 O4 -","- C144 H184 N16 O32 -","8","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","1.5418","CuKα","","0.0499","0.0379","","","0.0988","0.1085","","","","","","1.023","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028735","10.9237","0.0005","13.289","0.0006","13.9727","0.0005","63.682","0.002","81.338","0.002","81.12","0.002","1788.56","0.14","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H42 N2 O12 -","- C37 H42 N2 O12 -","- C74 H84 N4 O24 -","2","2","","Carlos Aydillo; Claudio D. Navo; Jesús H. Busto; Francisco Corzana; María M. Zurbano; Alberto Avenoza; Jesús M. Peregrina","A Double Diastereoselective Michael-Type Addition as an Entry to Conformationally Restricted Tn Antigen Mimics","Journal of Organic Chemistry","2013","78","","10968","10977","10.1021/jo4019396","","","0.71073","MoKα","","0.0988","0.0565","","","0.1411","0.1705","","","","","","1.004","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028736","6.1502","0.0004","8.0705","0.0005","17.2765","0.0011","90","","94.719","0.004","90","","854.62","0.09","296","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","3-benzyl-2-(phenylethynyl)benzofuran","3-benzyl-2-(phenylethynyl)benzofuran","","- C23 H15 O -","- C23 H15 O -","- C46 H30 O2 -","2","1","","Tamiris B. Grimaldi; Davi F. Back; Gilson Zeni","Potassiumtert-Butoxide Promoted Annulation of 2-Alkynylphenyl Propargyl Ethers: Selective Synthesis of Benzofuran and 12H-Benzoannulene Derivatives","Journal of Organic Chemistry","2013","78","","11017","11031","10.1021/jo4020062","","","0.71073","MoKα","","0.0773","0.0461","","","0.1127","0.1407","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028737","20.9774","0.001","8.871","0.0004","17.3971","0.0009","90","","91.719","0.003","90","","3236","0.3","296","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","12H-benzo-7-phenyl[7]annulen-6-benzo[b]furan","12H-benzo-7-phenyl[7]annulen-6-benzo[b]furan","","- C23 H16 O -","- C23 H16 O -","- C184 H128 O8 -","8","2","","Tamiris B. Grimaldi; Davi F. Back; Gilson Zeni","Potassiumtert-Butoxide Promoted Annulation of 2-Alkynylphenyl Propargyl Ethers: Selective Synthesis of Benzofuran and 12H-Benzoannulene Derivatives","Journal of Organic Chemistry","2013","78","","11017","11031","10.1021/jo4020062","","","0.71073","MoKα","","0.1505","0.0499","","","0.1004","0.1317","","","","","","0.961","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028738","12.1176","0.0004","12.1176","0.0004","12.1176","0.0004","90","","90","","90","","1779.3","0.1","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C6 H15 Br Cu N -","- C6 H15 Br Cu N -","- C48 H120 Br8 Cu8 N8 -","8","0.166667","","Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin","Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features","Journal of Organic Chemistry","2013","78","","11126","11146","10.1021/jo401423h","","","0.71073","MoKα","","0.0138","0.0135","","","0.0348","0.0349","","","","","","1.122","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028739","9.9504","0.0006","19.6941","0.0011","10.6513","0.0006","90","","111.044","0.002","90","","1948.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cu2 F12 N6 O10 -","- C34 H26 Cu2 F12 N6 O10 -","- C68 H52 Cu4 F24 N12 O20 -","2","0.5","","Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin","Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features","Journal of Organic Chemistry","2013","78","","11126","11146","10.1021/jo401423h","","","0.71073","MoKα","","0.042","0.0322","","","0.1005","0.1106","","","","","","0.817","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028740","8.0701","0.0006","10.4214","0.0008","12.9523","0.0009","71.799","0.002","75.062","0.002","80.007","0.002","994.69","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cu2 F12 N2 O10 -","- C38 H30 Cu2 F12 N2 O10 -","- C38 H30 Cu2 F12 N2 O10 -","1","0.5","","Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin","Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features","Journal of Organic Chemistry","2013","78","","11126","11146","10.1021/jo401423h","","","0.71073","MoKα","","0.0455","0.0337","","","0.068","0.0725","","","","","","1.027","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028741","15.67","0.003","10.967","0.003","21.785","0.006","90","","107.289","0.008","90","","3574.7","1.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H38 N4 Ni O3 -","- C42 H38 N4 Ni O3 -","- C168 H152 N16 Ni4 O12 -","4","1","","Shengbin Zhou; Jiang Wang; Daizong Lin; Fei Zhao; Hong Liu","Enantioselective Synthesis of 2-Substitued-Tetrahydroisoquinolin-1-yl Glycine Derivatives via Oxidative Cross-Dehydrogenative Coupling of Tertiary Amines and Chiral Nickel(II) Glycinate","Journal of Organic Chemistry","2013","78","","11204","11212","10.1021/jo401510b","","","0.71073","MoKα","","0.1402","0.0738","","","0.1478","0.1694","","","","","","0.911","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028742","20.601","0.003","8.4696","0.0013","31.301","0.005","90","","91.992","0.004","90","","5458.2","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H37 Br N4 Ni O3 -","- C42 H37 Br N4 Ni O3 -","- C252 H222 Br6 N24 Ni6 O18 -","6","3","","Shengbin Zhou; Jiang Wang; Daizong Lin; Fei Zhao; Hong Liu","Enantioselective Synthesis of 2-Substitued-Tetrahydroisoquinolin-1-yl Glycine Derivatives via Oxidative Cross-Dehydrogenative Coupling of Tertiary Amines and Chiral Nickel(II) Glycinate","Journal of Organic Chemistry","2013","78","","11204","11212","10.1021/jo401510b","","","0.71073","MoKα","","0.1891","0.0749","","","0.1367","0.1854","","","","","","0.984","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028743","11.2067","0.0014","7.1568","0.0009","22.836","0.003","90","","94.02","0.002","90","","1827","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H22 Br N O3 S -","- C15 H22 Br N O3 S -","- C60 H88 Br4 N4 O12 S4 -","4","2","","Wei Huang; Jian-Liang Ye; Wei Zheng; Han-Qing Dong; Bang-Guo Wei","Radical Migration-Addition of N-tert-Butanesulfinyl Imines with Organozinc Reagents","Journal of Organic Chemistry","2013","78","","11229","11237","10.1021/jo401640c","","","0.71073","MoKα","","0.1109","0.0637","","","0.1373","0.1504","","","","","","0.827","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028744","20.9064","0.0009","9.3117","0.0004","17.345","0.0007","90","","105.018","0.002","90","","3261.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 N3 O3 -","- C41 H35 N3 O3 -","- C164 H140 N12 O12 -","4","1","","Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen","Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3""]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole","Journal of Organic Chemistry","2013","78","","11577","11583","10.1021/jo4017259","","","0.71073","MoKα","","0.113","0.0584","","","0.1463","0.1781","","","","","","1.032","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028745","12.7517","0.0005","9.5503","0.0003","28.7063","0.0011","90","","113.504","0.002","90","","3205.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 N3 O3 -","- C41 H35 N3 O3 -","- C164 H140 N12 O12 -","4","1","","Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen","Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3""]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole","Journal of Organic Chemistry","2013","78","","11577","11583","10.1021/jo4017259","","","0.71073","MoKα","","0.1351","0.061","","","0.1537","0.2089","","","","","","1.002","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028746","9.2909","0.0002","19.3115","0.0005","17.429","0.0005","90","","112.188","0.002","90","","2895.57","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 N3 O3 -","- C37 H33 N3 O3 -","- C148 H132 N12 O12 -","4","1","","Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen","Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3""]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole","Journal of Organic Chemistry","2013","78","","11577","11583","10.1021/jo4017259","","","0.71073","MoKα","","0.1115","0.0564","","","0.1098","0.129","","","","","","0.995","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028747","10.457","0.0002","11.4169","0.0002","12.6533","0.0002","90","","90","","90","","1510.63","0.05","160","1","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Silvia V. Rocha; Nathaniel S. Finney","Systematic Evaluation of 2,6-Linked Pyridine-Thiophene Oligomers","Journal of Organic Chemistry","2013","78","","11255","11261","10.1021/jo401735g","","","0.71073","MoKα","","0.0511","0.0397","","","0.0896","0.0959","","","","","","1.046","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028748","8.2039","0.0012","8.2039","0.0012","21.191","0.004","90","","90","","90","","1426.2","0.4","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C10 H18 Cl N2 O4 P -","- C10 H18 Cl N2 O4 P -","- C40 H72 Cl4 N8 O16 P4 -","4","0.5","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","0.71073","MoKα","","0.0501","0.0425","","","0.0868","0.0908","","","","","","1.096","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028749","8.7196","0.0003","12.0985","0.0005","18.3711","0.0006","99.33","0.003","95.904","0.003","90.344","0.003","1901.75","0.12","291","2","291.15","","","","","","","","","6","P 1","P 1","1","","","","- C18 H18 Cl N2 O4 P -","- C18 H18 Cl N2 O4 P -","- C72 H72 Cl4 N8 O16 P4 -","4","4","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.0664","0.0474","","","0.1334","0.1625","","","","","","1.021","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028750","10.02685","0.00016","10.35683","0.00016","23.9983","0.0005","90","","97.9548","0.0018","90","","2468.16","0.08","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H36 N3 O6 P -","- C19 H36 N3 O6 P -","- C76 H144 N12 O24 P4 -","4","2","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.0585","0.0529","","","0.1452","0.152","","","","","","1.033","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028751","20.014","0.004","6.1055","0.0012","20.653","0.004","90","","101.36","0.03","90","","2474.3","0.9","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H32 N3 O6 P -","- C21 H32 N3 O6 P -","- C84 H128 N12 O24 P4 -","4","1","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","0.71073","MoKα","","0.1079","0.0821","","","0.1732","0.1898","","","","","","1.133","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028752","16.1499","0.0003","6.10696","0.00015","25.013","0.0007","90","","98.553","0.002","90","","2439.52","0.1","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N3 O6 P -","- C23 H28 N3 O6 P -","- C92 H112 N12 O24 P4 -","4","2","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.0503","0.0429","","","0.107","0.112","","","","","","1.061","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028753","11.3068","0.0003","8.2583","0.0003","13.1949","0.0004","90","","101.098","0.003","90","","1209.03","0.07","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N3 O6 P -","- C23 H28 N3 O6 P -","- C46 H56 N6 O12 P2 -","2","1","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.037","0.0349","","","0.0915","0.0945","","","","","","1.052","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028754","15.3492","0.0003","15.621","0.0004","17.0234","0.0002","89.136","0.002","80.277","0.002","86.364","0.002","4014.93","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C95.5 H110 N4 O9 -","- C95.493 H108.064 N4 O9 -","- C190.986 H216.128 N8 O18 -","2","1","","Marcin Grajda; Michał Wierzbicki; Piotr Cmoch; Agnieszka Szumna","Inherently Chiral Iminoresorcinarenes through Regioselective Unidirectional Tautomerization","Journal of Organic Chemistry","2013","78","","11597","11601","10.1021/jo4019182","","","1.5418","CuKα","","0.0882","0.084","","","0.2447","0.2527","","","","","","1.01","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028755","10.6821","0.0003","11.5613","0.0003","12.1911","0.0003","81.645","0.0011","83.7998","0.0012","79.6147","0.0011","1460.02","0.07","100","1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 F12 N4 O4 Sb2 -","- C58 H72 F12 N4 O4 Sb2 -","- C58 H72 F12 N4 O4 Sb2 -","1","0.5","","Almaz S. Jalilov; Lu Han; Stephen F. Nelsen; Ilia A. Guzei","Oxidation Products of Doubly Trimethylene-Bridged Tetrabenzyl p-Phenylenediamine Paracyclophane","Journal of Organic Chemistry","2013","78","","11373","11381","10.1021/jo401921f","","","0.71073","MoKα","","0.0174","0.0164","","","0.0411","0.0417","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028756","12.1617","0.0003","15.3473","0.0004","24.094","0.0005","83.6615","0.0014","82.0615","0.0014","79.8284","0.0014","4366.93","0.18","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C74 H124 B22 Cl8 N4 -","- C74 H124 B22 Cl8 N4 -","- C148 H248 B44 Cl16 N8 -","2","1","","Almaz S. Jalilov; Lu Han; Stephen F. Nelsen; Ilia A. Guzei","Oxidation Products of Doubly Trimethylene-Bridged Tetrabenzyl p-Phenylenediamine Paracyclophane","Journal of Organic Chemistry","2013","78","","11373","11381","10.1021/jo401921f","","","0.71073","MoKα","","0.1157","0.0595","","","0.1305","0.1549","","","","","","0.989","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028757","7.0511","0.0002","9.8605","0.0002","24.4965","0.0006","90","","90","","90","","1703.18","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3aS,6S,6aR)-methyl 6-(hydroxymethyl)-4-oxo-1-tosylhexahydro -1H-furo[3,4-b]pyrrole-2-carboxylate","","- C16 H19 N O7 S -","- C16 H19 N O7 S -","- C64 H76 N4 O28 S4 -","4","1","","José A. Gálvez; María D. Díaz-de-Villegas; Miriam Alías; Ramón Badorrey","Chiral Iminoesters Derived fromd-Glyceraldehyde in [3 + 2] Cycloaddition Reactions. Asymmetric Synthesis of a Key Intermediate in the Synthesis of Neuramidinase Inhibitors","Journal of Organic Chemistry","2013","78","","11404","11413","10.1021/jo401967a","","","0.71073","MoKα","","0.0541","0.0412","","","0.09","0.0969","","","","","","1.031","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028758","8.27","0.0012","9.0465","0.0019","16.281","0.003","83.342","0.017","77.216","0.014","87.954","0.015","1179.8","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(2R,4R,5S)-4-ethyl 2-methyl 5-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl] -1-tosylpyrrolidine-2,4-dicarboxylate","","- C21 H29 N O8 S -","- C21 H29 N O8 S -","- C42 H58 N2 O16 S2 -","2","2","","José A. Gálvez; María D. Díaz-de-Villegas; Miriam Alías; Ramón Badorrey","Chiral Iminoesters Derived fromd-Glyceraldehyde in [3 + 2] Cycloaddition Reactions. Asymmetric Synthesis of a Key Intermediate in the Synthesis of Neuramidinase Inhibitors","Journal of Organic Chemistry","2013","78","","11404","11413","10.1021/jo401967a","","","0.71073","MoKα","","0.2437","0.0978","","","0.232","0.3064","","","","","","0.939","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028759","11.4634","0.0016","13.4376","0.0019","13.962","0.002","112.753","0.002","99.306","0.002","101.604","0.002","1873.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H34 Cl2 N4 O5 -","- C43 H34 Cl2 N4 O5 -","- C86 H68 Cl4 N8 O10 -","2","1","","Tuan-Jie Li; Zhong-Qiu Liu; Hong-Mei Yin; Chang-Sheng Yao; Bo Jiang; Xiang-Shan Wang; Shu-Jiang Tu; Xiu-Ling Li; Guigen Li","Metal-Free [3 + 2 + 1]/[2 + 2 + 1] Biscyclization: Stereospecific Construction with Concomitant Functionalization of Indolizin-5(1H)-one","Journal of Organic Chemistry","2013","78","","11414","11420","10.1021/jo401969g","","","0.71073","MoKα","","0.0912","0.0752","","","0.2333","0.2546","","","","","","1.076","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028760","12.6924","0.0008","14.0725","0.0009","17.2084","0.0011","73.164","0.004","89.207","0.004","71.084","0.004","2772.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H27 N5 O3 S -","- C16 H27 N5 O3 S -","- C96 H162 N30 O18 S6 -","6","3","","Asuman Durmus; Gorkem Gunbas; Steven C. Farmer; Marilyn M. Olmstead; Mark Mascal; Belete Legese; Jae-Young Cho; Rachel L. Beingessner; Takeshi Yamazaki; Hicham Fenniri","Synthesis of N-substituted Pyrido[4,3-d]pyrimidines for the Large-Scale Production of Self-Assembled Rosettes and Nanotubes","Journal of Organic Chemistry","2013","78","","11421","11426","10.1021/jo4019792","","","0.8856","synchrotron","","0.1021","0.0748","","","0.2142","0.2313","","","","","","1.092","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028761","23.335","0.006","6.2952","0.0015","23.129","0.006","90","","107.557","0.003","90","","3239.3","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,8-Dioxabicyclo[3.3.1]nonane","5-acetyl-8-bromo-4-methyl-6H-2,6-methanobenzo[d][1,3]dioxocine-11-carboxylate","","- C17 H17 Br O5 -","- C17 H17 Br O5 -","- C136 H136 Br8 O40 -","8","1","","Venu Srinivas; Mamoru Koketsu","Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Knoevenagel Condensation and Hetero-Diels-Alder Reaction in an Aqueous Medium","Journal of Organic Chemistry","2013","78","","11612","11617","10.1021/jo401990h","","","0.71075","MoKα","","0.0419","0.0346","","","0.1144","0.1242","","","","","","0.913","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028762","11.033","0.002","10.0044","0.0018","14.451","0.003","90","","95.223","0.004","90","","1588.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br2 O3 -","- C15 H14 Br2 O3 -","- C60 H56 Br8 O12 -","4","1","","Dong-Liang Mo; Teng Yuan; Chang-Hua Ding; Li-Xin Dai; Xue-Long Hou","Palladacycle-Catalyzed Methylenecyclopropanation of Bicyclic Alkenes with Propiolates","Journal of Organic Chemistry","2013","78","","11470","11476","10.1021/jo402024v","","","0.71073","MoKα","","0.087","0.0409","","","0.0913","0.0989","","","","","","0.82","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028763","7.471","0.006","9.498","0.007","9.667","0.007","77.39","0.014","70.626","0.013","86.718","0.014","631.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C30 H28 O6 -","2","1","","Dong-Liang Mo; Teng Yuan; Chang-Hua Ding; Li-Xin Dai; Xue-Long Hou","Palladacycle-Catalyzed Methylenecyclopropanation of Bicyclic Alkenes with Propiolates","Journal of Organic Chemistry","2013","78","","11470","11476","10.1021/jo402024v","","","0.71073","MoKα","","0.0777","0.0612","","","0.1487","0.1599","","","","","","0.975","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028764","12.152","0.002","7.7729","0.0016","16.896","0.003","90","","98.87","0.03","90","","1576.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 F N O2 -","- C19 H16 F N O2 -","- C76 H64 F4 N4 O8 -","4","1","","Xiaochen Ji; Huawen Huang; Wanqing Wu; Xianwei Li; Huanfeng Jiang","Palladium-Catalyzed Oxidative Coupling of Aromatic Primary Amines and Alkenes under Molecular Oxygen: Stereoselective Assembly of (Z)-Enamines","Journal of Organic Chemistry","2013","78","","11155","11162","10.1021/jo402117r","","","0.71073","MoKα","","0.1049","0.0539","","","0.1479","0.1959","","","","","","1.086","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028765","15.326","0.003","18.541","0.004","11.368","0.003","90","","90","","90","","3230.3","1.3","300","2","300","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(4'R,5'R,3E)-4-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-2-methyl-but-3-en-2-ol","","- C36 H38.5 B N0.5 O5 -","- C36 H38.5 B N0.5 O5 -","- C144 H154 B4 N2 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.0841","0.0467","","","0.1042","0.1145","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028766","10.46","0.0008","16.7619","0.0015","19.5379","0.0017","90","","90","","90","","3425.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,4'R,5'R)-'N,N-dimethyl-3-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-5-methyl-hex-4-en amide","","- C39 H44 B N O5 -","- C39 H44 B N O5 -","- C156 H176 B4 N4 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.0562","0.0399","","","0.0823","0.0873","","","","","","1.033","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028767","10.8054","0.0008","15.9392","0.0013","20.1881","0.0017","90","","90","","90","","3477","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3R,4'R,5'R)-N,N-dimethyl-3-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-5-methyl-hex-4-en amide","","- C39 H44 B N O5 -","- C39 H44 B N O5 -","- C156 H176 B4 N4 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.069","0.0454","","","0.0859","0.0917","","","","","","1.024","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028768","8.013","0.005","27.362","0.016","25.684","0.014","90","","106.062","0.017","90","","5411","6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 F12 N2 O16 P2 -","- C44 H68 F12 N2 O16 P2 -","- C176 H272 F48 N8 O64 P8 -","4","1","","Ziyong Li; Guoxing Liu; Wen Xue; Di Wu; Ying-Wei Yang; Jishan Wu; Sheng Hua Liu; Juyoung Yoon; Jun Yin","Construction of Hetero[n]rotaxanes by Use of Polyfunctional Rotaxane Frameworks","Journal of Organic Chemistry","2013","78","","11560","11570","10.1021/jo402166y","","","0.71073","MoKα","","0.2784","0.2424","","","0.5717","0.583","","","","","","2.209","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028769","7.44","0.003","8.52","0.003","10.916","0.004","82.128","0.007","89.698","0.008","64.857","0.007","619.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C32 H22 N2 O4 -","2","1","","Ri-Yuan Tang; Xiao-Kang Guo; Jian-Nan Xiang; Jin-Heng Li","Palladium-Catalyzed Synthesis of 3-Acylated Indoles Involving Oxidative Cross-Coupling of Indoles with α-Amino Carbonyl Compounds","Journal of Organic Chemistry","2013","78","","11163","11171","10.1021/jo402215s","","","0.71073","MoKα","","0.0873","0.0652","","","0.1912","0.2021","","","","","","1.026","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028770","10.102","0.0006","10.1363","0.0006","46.985","0.003","90","","90","","90","","4811.1","0.5","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O4 -","- C26 H33 N3 O4 -","- C208 H264 N24 O32 -","8","2","","Sean K. Liew; Zhi He; Jeffrey D. St. Denis; Andrei K. Yudin","Stereocontrolled Synthesis of 1,2- and 1,3-Diamine Building Blocks from Aziridine Aldehyde Dimers","Journal of Organic Chemistry","2013","78","","11637","11645","10.1021/jo401489q","","","1.54178","CuKα","","0.0313","0.0309","","","0.0763","0.077","","","","","","1.072","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028771","8.6341","0.0003","5.2309","0.0002","15.231","0.0006","90","","95.623","0.002","90","","684.58","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C30 H40 N4 O2 -","2","1","","Sean K. Liew; Zhi He; Jeffrey D. St. Denis; Andrei K. Yudin","Stereocontrolled Synthesis of 1,2- and 1,3-Diamine Building Blocks from Aziridine Aldehyde Dimers","Journal of Organic Chemistry","2013","78","","11637","11645","10.1021/jo401489q","","","1.54178","CuKα","","0.0276","0.0275","","","0.0681","0.0683","","","","","","1.111","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028772","9.17","0.002","12.496","0.002","23.338","0.003","90","","94.72","0.01","90","","2665.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 O3 P2 -","- C31 H30 O3 P2 -","- C124 H120 O12 P8 -","4","1","","Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Dmitriy S. Vinogradov; Rolf Gleiter; Nikolay S. Zefirov","Phosphonium-Iodonium Ylides with Heteroatomic Groups in the Synthesis of Annelated P-Containing Heterocycles","Journal of Organic Chemistry","2013","78","","11691","11697","10.1021/jo401514d","","","0.71073","MoKα","","0.0746","0.0495","","","0.1395","0.1708","","","","","","1.025","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028773","28.383","0.001","11.6353","0.0004","15.9062","0.0005","90","","107.593","0.002","90","","5007.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 N2 O5 S2 -","- C19 H26 N2 O5 S2 -","- C152 H208 N16 O40 S16 -","8","1","","Pradeep Kumar; Vishwajeet Jha; Rajesh Gonnade","Proline-Catalyzed Asymmetric Synthesis of syn- and anti-1,3-Diamines","Journal of Organic Chemistry","2013","78","","11756","11764","10.1021/jo401722e","","","0.71073","MoKα","","0.1003","0.07","","","0.2094","0.2417","","","","","","1.08","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028774","10.666","0.01","10.666","0.01","18.087","0.017","90","","90","","90","","2058","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C19 H26 N2 O4 S2 -","- C19 H26 N2 O4 S2 -","- C76 H104 N8 O16 S8 -","4","0.5","","Pradeep Kumar; Vishwajeet Jha; Rajesh Gonnade","Proline-Catalyzed Asymmetric Synthesis of syn- and anti-1,3-Diamines","Journal of Organic Chemistry","2013","78","","11756","11764","10.1021/jo401722e","","","0.71073","MoKα","","0.0418","0.0359","","","0.0932","0.0978","","","","","","1.048","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028775","14.0232","0.0003","12.7797","0.0003","14.9172","0.0005","90","","106.626","0.001","90","","2561.58","0.12","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B N -","- C32 H34 B N -","- C128 H136 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.1169","0.0836","","","0.1522","0.1696","","","","","","1.122","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028776","11.0791","0.0002","11.447","0.0002","12.2458","0.0002","100.964","0.001","112.053","0.001","92.043","0.001","1403.33","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B N O2 -","- C34 H38 B N O2 -","- C68 H76 B2 N2 O4 -","2","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.0596","0.0548","","","0.1384","0.1436","","","","","","1.04","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028777","9.6213","0.0015","20.391","0.003","10.9103","0.0017","90","","100.154","0.002","90","","2106.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 B N -","- C26 H30 B N -","- C104 H120 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.7107","MoKα","","0.0635","0.0531","","","0.1233","0.1298","","","","","","1.099","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028778","19.3095","0.0012","8.7351","0.0006","15.5396","0.001","90","","108.725","0.009","90","","2482.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 B N -","- C30 H38 B N -","- C120 H152 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.1117","0.0843","","","0.2017","0.2227","","","","","","1.116","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028779","8.6193","0.0003","26.8803","0.0011","11.685","0.0006","90","","103.057","0.003","90","","2637.3","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B N -","- C28 H32 B N -","- C112 H128 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","1.54178","CuKα","","0.0792","0.0556","","","0.1428","0.1561","","","","","","1.06","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028780","8.8585","0.0002","31.3626","0.0008","9.4406","0.0003","90","","95.78","0.003","90","","2609.51","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 B N O -","- C31 H38 B N O -","- C124 H152 B4 N4 O4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","1.54178","CuKα","","0.0511","0.045","","","0.1184","0.1232","","","","","","1.066","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028781","29.1131","0.0006","10.8631","0.0002","18.7653","0.0004","90","","116.993","0.001","90","","5288.17","0.19","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 B N O -","- C33 H34 B N O -","- C264 H272 B8 N8 O8 -","8","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.0918","0.0683","","","0.1474","0.1628","","","","","","1.092","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028782","11.962","0.002","14.969","0.003","16.155","0.003","105.132","0.003","93.171","0.003","93.324","0.003","2780.2","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H68 B2 N2 -","- C64 H68 B2 N2 -","- C128 H136 B4 N4 -","2","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.7107","MoKα","","0.0917","0.0699","","","0.1907","0.2058","","","","","","1.061","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028783","11.3808","0.0014","13.1225","0.0016","16.561","0.002","76.31","0.007","77.264","0.007","67.385","0.006","2195","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H56 B2 N2 -","- C55 H56 B2 N2 -","- C110 H112 B4 N4 -","2","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.7107","MoKα","","0.0743","0.051","","","0.125","0.1382","","","","","","1.088","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028784","27.6966","0.0011","4.8683","0.0002","21.0108","0.0009","90","","118.152","0.002","90","","2497.85","0.18","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C112 H80 N16 O40 -","8","1","","Bright U. Emenike; Albert Tianxiang Liu; Elsy P. Naveo; John D. Roberts","Substituent Effects on Energetics of Peptide-Carboxylate Hydrogen Bonds as Studied by 1H NMR Spectroscopy: Implications for Enzyme Catalysis","Journal of Organic Chemistry","2013","78","","11765","11771","10.1021/jo401762m","","","0.71073","MoKα","","0.0989","0.0708","","","0.0909","0.0923","","","","","","3.508","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028785","9.705","0.002","10.735","0.003","15.984","0.004","103.347","0.003","106.187","0.003","90.024","0.003","1552.3","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 N3 O3 S -","- C35 H41 N3 O3 S -","- C70 H82 N6 O6 S2 -","2","1","","Rachel Aranha Potter; Amy M. Bowser; Yanbo Yang; José S. Madalengoitia; Joseph W. Ziller","Structure-Reactivity Relationships of Zwitterionic 1,3-Diaza-Claisen Rearrangements","Journal of Organic Chemistry","2013","78","","11772","11782","10.1021/jo401810p","","","0.71073","MoKα","","0.0853","0.0549","","","0.1303","0.1445","","","","","","1.037","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028786","9.784","0.0003","11.1537","0.0003","11.4846","0.0003","90.8517","0.0003","98.4236","0.0003","112.35","0.0003","1143.22","0.06","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H33 N3 O4 -","- C24 H33 N3 O4 -","- C48 H66 N6 O8 -","2","1","","Rachel Aranha Potter; Amy M. Bowser; Yanbo Yang; José S. Madalengoitia; Joseph W. Ziller","Structure-Reactivity Relationships of Zwitterionic 1,3-Diaza-Claisen Rearrangements","Journal of Organic Chemistry","2013","78","","11772","11782","10.1021/jo401810p","","","0.71073","MoKα","","0.0378","0.0353","","","0.0904","0.0928","","","","","","1.033","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028787","23.8045","0.0017","10.9781","0.0005","7.5754","0.0004","90","","90","","90","","1979.7","0.2","293","2","293.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H7 N2 O2 S2 -","- C9 H7 N O2 S2 -","- C72 H56 N8 O16 S16 -","8","1","","Shuai Liang; Ruo-Yi Zhang; Long-Yi Xi; Shan-Yong Chen; Xiao-Qi Yu","Sulfonylation of Five-Membered Heterocycles via an SNAr Reaction","Journal of Organic Chemistry","2013","78","","11874","11880","10.1021/jo401828b","","","0.7107","MoKα","","0.0657","0.0447","","","0.092","0.1032","","","","","","1.047","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028788","10.1296","0.0007","18.4212","0.0014","11.9851","0.0009","90","","91.991","0.001","90","","2235.1","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O6 -","- C27 H22 N2 O6 -","- C108 H88 N8 O24 -","4","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0494","0.0408","","","0.116","0.1251","","","","","","1.031","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028789","11.5429","0.0005","14.5961","0.0006","13.7283","0.0006","90","","103.401","0.005","90","","2249.98","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O6 -","- C28 H24 N2 O6 -","- C112 H96 N8 O24 -","4","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0728","0.0486","","","0.1338","0.1396","","","","","","1.054","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028790","11.6208","0.0007","8.9292","0.0006","31.995","0.002","90","","90","","90","","3319.9","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C144 H160 N16 O32 -","8","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0631","0.0502","","","0.1617","0.1728","","","","","","1.433","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028791","22.861","0.002","10.2821","0.0011","18.164","0.003","90","","94.522","0.011","90","","4256.3","0.9","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N2 O6 -","- C26 H18 N2 O6 -","- C208 H144 N16 O48 -","8","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.1716","0.1257","","","0.3173","0.3482","","","","","","1.126","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028792","12.1763","0.0004","12.2873","0.0005","14.78","0.0005","90","","97.307","0.003","90","","2193.33","0.14","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0648","0.0403","","","0.0875","0.0909","","","","","","0.978","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028793","9.3544","0.0002","28.805","0.0007","11.3634","0.0003","90","","92.382","0.002","90","","3059.26","0.13","180","0.1","180","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H40 O6 -","- C34 H39.5 O6 -","- C136 H158 O24 -","4","2","","Xionghao Lin; Shuai Ji; Xue Qiao; Hongbo Hu; Ni Chen; Yinhui Dong; Yun Huang; Dean Guo; Pengfei Tu; Min Ye","Density Functional Theory Calculations in Stereochemical Determination of Terpecurcumins J-W, Cytotoxic Terpene-Conjugated Curcuminoids from Curcuma longa L.","Journal of Organic Chemistry","2013","78","","11835","11848","10.1021/jo401859u","","","1.5418","CuKα","","0.0605","0.0581","","","0.1624","0.1663","","","","","","1.037","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4028794","8.4052","0.0009","9.2279","0.0009","19.9876","0.002","88.001","0.008","88.103","0.009","81.877","0.009","1533.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl2 N4 -","- C15 H12 Cl2 N4 -","- C60 H48 Cl8 N16 -","4","2","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.2703","0.0794","","","0.1112","0.1851","","","","","","0.951","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028795","7.6054","0.0014","11.951","0.004","17.019","0.006","90","","90","","90","","1546.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.2406","0.0813","","","0.0658","0.1049","","","","","","0.986","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028796","16.904","0.004","17","0.004","17.259","0.006","90","","109.76","0.03","90","","4668","2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N4 -","- C19 H15.6667 N4 -","- C228 H188 N48 -","12","3","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.4947","0.0937","","","0.1166","0.251","","","","","","0.83","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028797","21.257","0.0019","14.0225","0.0013","13.2352","0.0012","90","","101.593","0.002","90","","3864.6","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cl2 N4 Pd -","- C19 H16 Cl2 N4 Pd -","- C152 H128 Cl16 N32 Pd8 -","8","1","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.0354","0.0281","","","0.0674","0.0708","","","","","","0.975","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028798","10.0112","0.0005","17.0294","0.0009","10.0896","0.0005","90","","110.047","0.0006","90","","1615.91","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O7 -","- C15 H17 N O7 -","- C60 H68 N4 O28 -","4","1","","Ping Cheng; Wenjie Shao; Derrick L. J. Clive","A General Route to 1,3'-Bipyrroles","Journal of Organic Chemistry","2013","78","","11860","11873","10.1021/jo401892t","","","0.71073","MoKα","","0.0448","0.036","","","0.0903","0.0961","","","","","","1.059","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028799","6.6903","0.0003","9.146","0.0004","23.0313","0.0011","90","","97.33","0.001","90","","1397.76","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Ping Cheng; Wenjie Shao; Derrick L. J. Clive","A General Route to 1,3'-Bipyrroles","Journal of Organic Chemistry","2013","78","","11860","11873","10.1021/jo401892t","","","0.71073","MoKα","","0.0389","0.0334","","","0.0831","0.0868","","","","","","1.069","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028800","13.794","0.017","13.183","0.017","16.18","0.02","90","","106.781","0.015","90","","2817","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","1","","Weijun Fu; Fengjuan Xu; Yuqin Fu; Mei Zhu; Jiaqi Yu; Chen Xu; Dapeng Zou","Synthesis of 3,3-Disubstituted Oxindoles by Visible-Light-Mediated Radical Reactions of Aryl Diazonium Salts with N-Arylacrylamides","Journal of Organic Chemistry","2013","78","","12202","12206","10.1021/jo401894b","","","0.71073","MoKα","","0.1325","0.0578","","","0.1458","0.1881","","","","","","0.964","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028801","8.93","0.0005","12.8309","0.0007","14.2483","0.0008","97.358","0.003","92.479","0.003","107.783","0.003","1535.89","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H41 N O6 Si -","- C32 H41 N O6 Si -","- C64 H82 N2 O12 Si2 -","2","1","","Jaclyn Chau; Sanjia Xu; Marco A. Ciufolini","Assembly of a Key Dienic Intermediate for Tetrodotoxin via a Machetti-DeSarlo Reaction","Journal of Organic Chemistry","2013","78","","11901","11910","10.1021/jo401960p","","","0.71073","MoKα","","0.0499","0.037","","","0.09","0.0975","","","","","","1.033","","","","has coordinates,has Fobs","301812","2025-08-19","20:48:30",""
"4028802","9.5513","0.0011","10.1186","0.0011","17.6081","0.0019","78.541","0.002","77.525","0.002","69.229","0.002","1539.6","0.3","90","0.1","90","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 Cl2 N2 O5 Si -","- C29 H36 Cl2 N2 O5 Si -","- C58 H72 Cl4 N4 O10 Si2 -","2","1","","Jaclyn Chau; Sanjia Xu; Marco A. Ciufolini","Assembly of a Key Dienic Intermediate for Tetrodotoxin via a Machetti-DeSarlo Reaction","Journal of Organic Chemistry","2013","78","","11901","11910","10.1021/jo401960p","","","0.71073","MoKα","","0.0524","0.0386","","","0.0983","0.1058","","","","","","1.033","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028803","14.2596","0.0006","10.09","0.0004","15.1424","0.0006","90","","114.587","0.002","90","","1981.14","0.14","100","2","100","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N O3 P -","- C22 H26 N O3 P -","- C88 H104 N4 O12 P4 -","4","1","","Lukas Jedinak; LaToya Rush; Mijoon Lee; Dusan Hesek; Jed F. Fisher; Bill Boggess; Bruce C. Noll; Shahriar Mobashery","Use of Silver Carbonate in the Wittig Reaction","Journal of Organic Chemistry","2013","78","","12224","12228","10.1021/jo401972a","","x-ray","1.54178","CuKα","","0.0344","0.033","","","0.0868","0.0882","","","","","","1.078","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028804","5.7023","0.0014","18.621","0.004","20.8","0.005","90","","90","","90","","2208.6","0.9","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O -","- C28 H26 N2 O -","- C112 H104 N8 O4 -","4","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.1461","0.0669","","","0.1428","0.1876","","","","","","0.959","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028805","5.07","0.006","12.757","0.015","33.28","0.04","90","","89.95","0.016","90","","2152","4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl2 N2 O -","- C26 H20 Cl2 N2 O -","- C104 H80 Cl8 N8 O4 -","4","2","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MoKα","","0.1723","0.0783","","","0.2297","0.3104","","","","","","1.012","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028806","10.3801","0.0004","15.2819","0.0005","15.5503","0.0006","90.655","0.002","90.471","0.002","95.063","0.002","2456.82","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19.5 Br2 N2 O -","- C26 H20 Br2 N2 O -","- C104 H80 Br8 N8 O4 -","4","2","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.1107","0.061","","","0.2119","0.2484","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028807","11.718","0.003","14.078","0.003","13.761","0.003","90","","94.233","0.014","90","","2263.9","0.9","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 O5 -","- C26 H20 N4 O5 -","- C104 H80 N16 O20 -","4","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.0695","0.0432","","","0.1047","0.1193","","","","","","1.021","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028808","35.3642","0.0014","5.4364","0.0002","21.9052","0.0009","90","","92.293","0.004","90","","4208","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N4 O5 -","- C21 H24 N4 O5 -","- C168 H192 N32 O40 -","8","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MoKα","","0.1166","0.0513","","","0.1308","0.1615","","","","","","1.007","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028809","9.4784","0.0008","9.4781","0.0007","46.173","0.004","90","","90","","90","","4148.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 Cl2 N2 O -","- C21 H24 Cl2 N2 O -","- C168 H192 Cl16 N16 O8 -","8","2","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MoKα","","0.1644","0.0503","","","0.1064","0.1419","","","","","","0.851","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028810","30.2766","0.0012","10.3252","0.0004","19.7855","0.0006","90","","92.296","0.002","90","","6180.2","0.4","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H14 Cl2 O2 -","- C17 H14 Cl2 O2 -","- C272 H224 Cl32 O32 -","16","4","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.0626","0.0442","","","0.1037","0.1171","","","","","","1.023","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028811","8.7708","0.0006","30.023","0.002","9.596","0.0006","90","","109.811","0.003","90","","2377.3","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br2 N2 O -","- C27 H22 Br2 N2 O -","- C108 H88 Br8 N8 O4 -","4","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.0986","0.0432","","","0.0887","0.1082","","","","","","1.012","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028812","9.856","0.005","13.199","0.006","7.922","0.004","90","","109.051","0.008","90","","974.1","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br N O2 -","- C10 H8 Br N O2 -","- C40 H32 Br4 N4 O8 -","4","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.1006","0.0648","","","0.185","0.2038","","","","","","1.087","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028813","7.872","0.002","11.776","0.003","13.692","0.004","90","","90.409","0.006","90","","1269.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.1028","0.076","","","0.1492","0.1607","","","","","","1.208","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028814","5.8376","0.0011","8.6923","0.0016","12.493","0.002","75.098","0.003","85.414","0.003","74.855","0.003","591.27","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.0397","0.0371","","","0.0859","0.0873","","","","","","1.135","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028815","5.331","0.0008","10.0858","0.0014","11.7987","0.0017","109.051","0.002","101.812","0.002","92.026","0.002","583.35","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C28 H20 Br2 N2 O4 -","2","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.0207","0.0197","","","0.053","0.0535","","","","","","1.078","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028816","7.0565","0.0009","11.3492","0.0017","26.647","0.003","78.589","0.009","89.279","0.009","84.548","0.011","2082.4","0.5","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H83 F24 N5 P4 -","- C86 H83 F24 N5 P4 -","- C86 H83 F24 N5 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nicolaas A. Vermeulen; Edward J. Dale; J. Fraser Stoddart","Synthesis of ExnBox Cyclophanes","Journal of Organic Chemistry","2013","78","","11962","11969","10.1021/jo401993n","","","1.54178","CuKα","","0.1188","0.0821","","","0.211","0.2358","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","301812","2025-08-19","20:48:30",""
"4028817","18.014","","11.966","","25.055","","90","","98.57","","90","","5340.44","","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl N2 O -","- C11 H9 Cl N2 O -","- C220 H180 Cl20 N40 O20 -","20","5","","Xiaoqing Xin; Dexuan Xiang; Jiming Yang; Qian Zhang; Fenguo Zhou; Dewen Dong","Homogeneous and Stereoselective Copper(II)-Catalyzed Monohydration of Methylenemalononitriles to 2-Cyanoacrylamides","Journal of Organic Chemistry","2013","78","","11956","11961","10.1021/jo401997v","","","0.71073","MoKα","","0.2317","0.1139","","","0.2258","0.2881","","","","","","1.045","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028818","13.4278","0.0011","10.9087","0.0009","13.4767","0.0011","90","","99.609","0.001","90","","1946.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C88 H80 N16 O8 -","8","2","","Xiaoqing Xin; Dexuan Xiang; Jiming Yang; Qian Zhang; Fenguo Zhou; Dewen Dong","Homogeneous and Stereoselective Copper(II)-Catalyzed Monohydration of Methylenemalononitriles to 2-Cyanoacrylamides","Journal of Organic Chemistry","2013","78","","11956","11961","10.1021/jo401997v","","","0.71073","MoKα","","0.0522","0.0436","","","0.1151","0.1227","","","","","","1.019","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028819","9.4112","0.0002","9.797","0.0002","13.2108","0.0002","100.766","0.001","94.837","0.001","105.426","0.001","1141.9","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","2","","Sunkyu Han; Dustin S. Siegel; Karen C. Morrison; Paul J. Hergenrother; Mohammad Movassaghi","Synthesis and Anticancer Activity of All Known (-)-Agelastatin Alkaloids","Journal of Organic Chemistry","2013","78","","11970","11984","10.1021/jo4020112","","","1.54178","CuKα","","0.0446","0.0412","","","0.1046","0.1073","","","","","","1.015","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028820","17.3834","0.0003","17.3834","0.0003","48.1688","0.0014","90","","90","","120","","12605.7","0.5","150","2","150","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C28 H36 N2 O3 -","- C23 H24 N2 O3 -","- C414 H432 N36 O54 -","18","3","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.54178","CuKα","","0.0942","0.0755","","","0.2105","0.2257","","","","","","1.066","","","","has coordinates,has Fobs","178467","2020-10-21","18:00:00",""
"4028821","11.52756","0.00012","11.52756","0.00012","58.0386","0.0007","90","","90","","90","","7712.44","0.15","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C368 H384 N32 O48 -","16","2","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.54184","CuKα","","0.0708","0.0695","","","0.1554","0.1559","","","","","","1.138","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028822","8.2592","0.0002","5.45466","0.00016","38.5981","0.001","90","","91.672","0.003","90","","1738.15","0.08","150","2","150.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.5418","CuKα","","0.0473","0.0449","","","0.1189","0.1202","","","","","","1.086","","","","has coordinates,has Fobs","301812","2025-08-19","20:48:30",""
"4028823","5.91473","0.00014","17.3076","0.0005","8.6214","0.0002","90","","100.809","0.002","90","","866.91","0.04","150","2","150.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.5418","CuKα","","0.0408","0.0389","","","0.1079","0.1103","","","","","","1.063","","","","has coordinates,has Fobs","301812","2025-08-19","20:48:30",""
"4028824","21.8697","0.0014","5.5982","0.0004","22.38","0.003","90","","108.856","0.01","90","","2593","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","2","","Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang","Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives","Journal of Organic Chemistry","2013","78","","12018","12028","10.1021/jo402055a","","","0.7107","MoKα","","0.1359","0.0852","","","0.2411","0.2926","","","","","","1.032","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028825","19.701","0.003","10.1591","0.0012","29.095","0.005","90","","102.041","0.014","90","","5695.1","1.5","292.53","0.1","292.53","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C288 H228 N12 O12 -","12","3","","Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang","Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives","Journal of Organic Chemistry","2013","78","","12018","12028","10.1021/jo402055a","","","0.7107","MoKα","","0.2162","0.0604","","","0.1548","0.257","","","","","","0.926","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028826","9.841","0.0004","9.5876","0.0004","22.784","0.002","90","","94.824","0.008","90","","2142.1","0.2","291.64","0.1","291.64","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 I2 N O -","- C24 H17 I2 N O -","- C96 H68 I8 N4 O4 -","4","1","","Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang","Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives","Journal of Organic Chemistry","2013","78","","12018","12028","10.1021/jo402055a","","","0.7107","MoKα","","0.059","0.0386","","","0.0826","0.0944","","","","","","1.056","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028827","7.2895","0.0007","7.8258","0.0014","16.3446","0.0016","85.433","0.011","83.772","0.008","89.605","0.01","923.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-((<i>tert</i>-butyldimethylsilyl)methylene) -2-(2,4-dinitrophenyl)hydrazine","","- C13 H20 N4 O4 Si -","- C13 H20 N4 O4 Si -","- C26 H40 N8 O8 Si2 -","2","1","","Henrik von Wachenfeldt; Daniel Strand","Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols","Journal of Organic Chemistry","2013","78","","12268","12273","10.1021/jo402123j","","","0.71073","MoKα","","0.2076","0.1399","","","0.3171","0.3382","","","","","","2.802","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028828","7.935","0.002","8.125","0.002","16.481","0.004","85.89","0.02","80.43","0.02","81.21","0.02","1034.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(2,4-dinitrophenyl)-2-((triisopropylsilyl)methylene)hydrazine","","- C16 H26 N4 O4 Si -","- C16 H26 N4 O4 Si -","- C32 H52 N8 O8 Si2 -","2","1","","Henrik von Wachenfeldt; Daniel Strand","Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols","Journal of Organic Chemistry","2013","78","","12268","12273","10.1021/jo402123j","","","0.71073","MoKα","","0.1571","0.0877","","","0.2251","0.286","","","","","","1.026","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028829","37.0549","0.0018","7.4656","0.0003","17.9306","0.0008","90","","113.023","0.005","90","","4565.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-((<i>tert</i>-butyldiphenylsilyl)methylene)-2-(2,4-dinitrophenyl)hydrazine","","- C23 H24 N4 O4 Si -","- C23 H24 N4 O4 Si -","- C184 H192 N32 O32 Si8 -","8","1","","Henrik von Wachenfeldt; Daniel Strand","Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols","Journal of Organic Chemistry","2013","78","","12268","12273","10.1021/jo402123j","","","0.71073","MoKα","","0.0942","0.0524","","","0.1061","0.1259","","","","","","1.018","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028830","11.493","0.002","20.119","0.004","14.627","0.003","90","","90.154","0.004","90","","3382.2","1.1","293","2","293","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C54 H101 N9 O13 -","- C54 H101 N9 O13 -","- C108 H202 N18 O26 -","2","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.121","0.1138","","","0.2691","0.2709","","","","","","2.182","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028831","14.9724","0.0015","16.2335","0.0017","38.546","0.004","90","","90","","90","","9368.8","1.7","90","2","90","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-D-Leu-Aib)4-OMe.2H2O.2.48C4H8O2","","- C79.92 H151.84 N12 O21.96 -","- C79.92 H151.84 N12 O21.96 -","- C319.68 H607.36 N48 O87.84 -","4","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.084","0.0683","","","0.1776","0.1881","","","","","","1.045","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028832","10.767","0.0012","20.452","0.002","39.305","0.004","90","","90","","90","","8655.2","1.6","90","2","90","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-Aib-D-Leu)4-OMe.CH3OH","","- C71 H132 N12 O16 -","- C71 H132 N12 O16 -","- C284 H528 N48 O64 -","4","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.0748","0.0731","","","0.2131","0.215","","","","","","1.103","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028833","48.52","0.005","9.321","0.0009","37.635","0.004","90","","107.421","0.002","90","","16240","3","200","2","200","2","","","","","","","synthesis","4","C 1 2 1","C 2y","5","","Boc-(Leu-Aib-D-Leu-Aib)3-OMe","","- C66 H120 N12 O15 -","- C66 H120 N12 O15 -","- C528 H960 N96 O120 -","8","2","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.1112","0.0983","","","0.2628","0.2682","","","","","","2.232","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028834","10.381","0.0008","14.179","0.0011","14.3223","0.0011","105.91","0.001","103.484","0.001","110.783","0.001","1762.8","0.2","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-Leu-(D-Leu-Leu-Aib)3-OMe","","- C60 H110 N10 O13 -","- C60 H110 N10 O13 -","- C60 H110 N10 O13 -","1","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.0792","0.077","","","0.2063","0.2081","","","","","","1.14","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028835","26.6957","0.0013","9.4112","0.0005","13.5643","0.0007","90","","115.845","0.002","90","","3067","0.3","160","","160","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C136 H200 N8 O16 -","8","1","","Xiao-Chuan Cai; Barry B. Snider","Synthesis of the Spiroiminal Moiety and Approaches to the Synthesis of Marineosins A and B","Journal of Organic Chemistry","2013","78","","12161","12175","10.1021/jo402178r","","","0.71073","MoKα","","0.0483","0.0434","","0.1117","0.1042","0.1117","","","","","","1.023","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028836","5.041","0.003","10.187","0.006","10.943","0.007","92.56","0.03","95.52","0.04","101.11","0.04","547.7","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","1","1","","Michael W. Giuliano; Stacy J. Maynard; Aaron M. Almeida; Andrew G. Reidenbach; Li Guo; Emily C. Ulrich; Ilia A. Guzei; Samuel H. Gellman","Evaluation of a Cyclopentane-Based γ-Amino Acid for the Ability to Promote α/γ-Peptide Secondary Structure","Journal of Organic Chemistry","2013","78","","12351","12361","10.1021/jo401501g","","","1.54178","CuKα","","0.0308","0.0307","","","0.0803","0.0805","","","","","","1.034","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028837","11.0418","0.0008","11.3456","0.0009","28.3218","0.0019","90","","93.79","0.007","90","","3540.3","0.4","200.01","0.1","200.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Wen-Juan Hao; Jian-Qiang Wang; Xiao-Ping Xu; Shi-Lei Zhang; Shun-Yi Wang; Shun-Jun Ji","I2/O2-Promoted Domino Reactions of Isatins or 3-Hydroxyindolin-2-one Derivatives with Enaminones","Journal of Organic Chemistry","2013","78","","12362","12373","10.1021/jo401773j","","","0.7107","MoKα","","0.1456","0.0658","","","0.1455","0.1962","","","","","","0.88","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028838","30.901","0.004","30.901","0.004","8.0232","0.0011","90","","90","","90","","7661.1","1.8","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H15 I N2 O -","- C22 H15 I N2 O -","- C352 H240 I16 N32 O16 -","16","1","","Wen-Juan Hao; Jian-Qiang Wang; Xiao-Ping Xu; Shi-Lei Zhang; Shun-Yi Wang; Shun-Jun Ji","I2/O2-Promoted Domino Reactions of Isatins or 3-Hydroxyindolin-2-one Derivatives with Enaminones","Journal of Organic Chemistry","2013","78","","12362","12373","10.1021/jo401773j","","","0.7107","MoKα","","0.1324","0.1149","","","0.4048","0.422","","","","","","1.105","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028839","14.273","0.01","9.963","0.007","16.258","0.011","90","","104.948","0.016","90","","2234","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C96 H100 N4 O16 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.1801","0.0956","","","0.2922","0.3456","","","","","","1.061","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028840","26.8945","0.0005","7.7214","0.0002","20.9187","0.0005","90","","91.813","0.002","90","","4341.87","0.17","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl2 N O3 S -","- C23 H23 Cl2 N O3 S -","- C184 H184 Cl16 N8 O24 S8 -","8","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0526","0.0402","","","0.1141","0.1303","","","","","","1.114","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028841","27.4024","0.0016","7.8236","0.0005","20.6553","0.0013","90","","90.576","0.002","90","","4428","0.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Br2 N O3 S -","- C23 H23 Br2 N O3 S -","- C184 H184 Br16 N8 O24 S8 -","8","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0468","0.0295","","","0.0775","0.0927","","","","","","1.11","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028842","19.08","0.006","6.626","0.002","20.154","0.006","90","","111.498","0.005","90","","2370.7","1.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 O3 S -","- C26 H29 N O4 S -","- C104 H116 N4 O16 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.1383","0.0685","","","0.175","0.2231","","","","","","0.856","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028843","15.8523","0.0017","7.7562","0.0008","12.8718","0.0015","90","","96.761","0.006","90","","1571.6","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0768","0.0503","","","0.13","0.1487","","","","","","1.05","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028844","13.1578","0.0005","6.6606","0.0002","20.2062","0.0008","90","","90.271","0.003","90","","1770.83","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0947","0.0601","","","0.1643","0.1982","","","","","","1.108","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028845","13.04","0.03","6.146","0.015","19.61","0.05","90","","91.44","0.05","90","","1571","7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.4288","0.0991","","","0.2046","0.403","","","","","","0.881","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028846","8.1142","0.0007","9.5567","0.0008","10.7665","0.001","99.979","0.002","100.197","0.002","91.307","0.003","808.04","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C38 H40 O6 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.119","0.0552","","","0.1449","0.1949","","","","","","1.027","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028847","16.9621","0.0003","16.9621","0.0003","9.6648","0.0003","90","","90","","90","","2780.69","0.11","150","","150","","","","","","","","","4","I 4","I 4","79","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C88 H152 N8 O40 -","8","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","1.54184","CuKα","","0.0465","0.0417","","0.1219","0.1131","0.1219","","","","","","0.9592","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028848","8.8277","0.0003","7.6317","0.0002","14.3944","0.0004","90","","98.519","0.003","90","","959.06","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26.64 N O2 -","- C22 H26.6439 N O2 -","- C44 H53.2878 N2 O4 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","1.54184","CuKα","","0.0397","0.0368","","0.097","0.0937","0.097","","","","","","0.9969","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028849","10.6664","0.0012","7.2589","0.0009","11.7104","0.0014","90","","98.315","0.006","90","","897.16","0.19","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","0.71073","MoKα","","0.0798","0.0658","","0.1572","0.1478","0.1572","","","","","","0.9178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028850","9.6934","0.0002","10.0175","0.0002","12.9042","0.0003","90","","108.306","0.001","90","","1189.63","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N O4 -","- C25 H35 N O4 -","- C50 H70 N2 O8 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","0.71073","MoKα","","0.052","0.0416","","0.1074","0.0958","0.1074","","","","","","0.9134","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028851","10.6741","0.0008","12.3578","0.0009","15.4377","0.0011","90","","98.518","0.003","90","","2013.9","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","Phomoxanthone A","Phomoxanthone A hemi(ethyl acetate) hemi-hydrate","","- C38 H38 O16 -","- C38 H38 O16 -","- C76 H76 O32 -","2","1","","David Rönsberg; Abdessamad Debbab; Attila Mándi; Vera Vasylyeva; Philip Böhler; Björn Stork; Laura Engelke; Alexandra Hamacher; Richard Sawadogo; Marc Diederich; Victor Wray; WenHan Lin; Matthias U. Kassack; Christoph Janiak; Stefanie Scheu; Sebastian Wesselborg; Tibor Kurtán; Amal H. Aly; Peter Proksch","Pro-Apoptotic and Immunostimulatory Tetrahydroxanthone Dimers from the Endophytic Fungus Phomopsis longicolla","Journal of Organic Chemistry","2013","78","","12409","12425","10.1021/jo402066b","","","1.54178","CuKα","","0.047","0.0461","","","0.1263","0.1271","","","","","","1.079","","","","has coordinates,has disorder","301812","2025-08-19","20:48:30",""
"4028852","20.875","0.004","14.302","0.003","10.553","0.002","90","","102.85","0.03","90","","3071.7","1.1","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C136 H184 N8 O16 -","8","2","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.2375","0.12","","","0.1806","0.216","","","","","","1.879","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028853","5.6271","0.0016","13.257","0.004","20.571","0.007","90","","90","","90","","1534.6","0.8","178","2","178","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 S -","- C15 H22 O3 S -","- C60 H88 O12 S4 -","4","1","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.0792","0.0582","","","0.1419","0.16","","","","","","1.028","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028854","27.518","0.008","6.7633","0.0013","30.912","0.007","90","","94.103","0.007","90","","5738","2","188","2","188","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N4 O12 -","- C24 H24 N4 O12 -","- C192 H192 N32 O96 -","8","1","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.1621","0.1071","","","0.2764","0.3373","","","","","","1.034","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028855","10.6535","0.0018","12.7422","0.0018","19.093","0.002","73.751","0.019","75.66","0.02","85.64","0.02","2410.7","0.7","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N2 O8 S -","- C22 H24 N2 O8 S -","- C88 H96 N8 O32 S4 -","4","2","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.2753","0.1516","","","0.3048","0.3953","","","","","","1.419","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028856","13.755","0.003","16.362","0.003","10.483","0.002","90","","104.44","0.03","90","","2284.8","0.8","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O7 -","- C25 H26 N2 O7 -","- C100 H104 N8 O28 -","4","1","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.0904","0.0731","","","0.1981","0.226","","","","","","1.098","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028857","8.3665","0.0005","12.8349","0.0007","13.9064","0.0008","92.895","0.005","90.071","0.005","92.334","0.004","1490.16","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23 Fe N3 S -","- C36 H23 Fe N3 S -","- C72 H46 Fe2 N6 S2 -","2","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","0.71073","MoKα","","0.0521","0.0443","","","0.1367","0.1441","","","","","","1.107","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028858","10.7116","0.0002","19.331","0.0003","10.3975","0.0002","90","","115.994","0.002","90","","1935.17","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 Fe N3 S -","- C25 H15 Fe N3 S -","- C100 H60 Fe4 N12 S4 -","4","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","1.5418","CuKα","","0.0332","0.0308","","","0.0824","0.0841","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028859","14.4585","0.0003","7.5393","0.0001","23.5366","0.0004","90","","96.619","0.002","90","","2548.55","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 Fe N2 S -","- C34 H20 Fe N2 S -","- C136 H80 Fe4 N8 S4 -","4","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","1.5418","CuKα","","0.0423","0.0323","","","0.0849","0.091","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028860","20.1248","0.0003","8.1436","0.0001","16.4453","0.0003","90","","93.096","0.001","90","","2691.26","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cl3 Fe N3 S -","- C31 H20 Cl3 Fe N3 S -","- C124 H80 Cl12 Fe4 N12 S4 -","4","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","0.71073","MoKα","","0.0356","0.0302","","","0.0718","0.0755","","","","","","1.027","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028861","11.83","0.002","8.916","0.002","12.804","0.002","90","","99.082","0.009","90","","1333.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-hydroxy-3-(1-hydroxycyclohexyl)-2-methylisoindolin-1-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0525","0.0389","","","0.0972","0.1037","","","","","","1.054","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028862","13.919","0.011","9.284","0.006","14.029","0.009","90","","88.1","0.03","90","","1812","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-tert-butyl-1-hydroxycyclohexyl)-3-hydroxy-2-methylisoindolin-1-one","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0712","0.0467","","","0.1176","0.1321","","","","","","1.048","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028863","8.7086","0.0012","5.7304","0.0006","17.984","0.002","90","","101.455","0.006","90","","879.59","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(propan-2-ylidene)isoindolin-1-one","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0418","0.038","","","0.0969","0.0992","","","","","","1.066","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028864","7.7636","0.0007","16.5858","0.0011","9.1023","0.0007","90","","107.742","0.004","90","","1116.32","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-methyl-3-(2-methylpropylidene)isoindolin-1-one","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0614","0.0436","","","0.1188","0.1252","","","","","","1.103","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028865","8.5149","0.0012","8.6262","0.0013","10.788","0.002","110.318","0.009","103.934","0.007","101.948","0.008","683.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-(3-methoxybenzylidene)-2-methylisoindolin-1-one","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0747","0.0503","","","0.128","0.1367","","","","","","0.956","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028866","7.9701","0.0009","16.241","0.002","10.4629","0.0011","90","","87.44","0.005","90","","1353","0.3","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(E)-3-(benzo[d][1,3]dioxol-5-ylmethylene)-2-methylisoindolin-1-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0731","0.0429","","","0.1006","0.1093","","","","","","1.019","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028867","9.5792","0.0007","11.4148","0.0009","11.4639","0.0007","90","","93.012","0.004","90","","1251.78","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(4-fluorobenzylidene)-2-methylisoindolin-1-one","","- C16 H12 F N O -","- C16 H12 F N O -","- C64 H48 F4 N4 O4 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0518","0.0393","","","0.1054","0.1108","","","","","","1.069","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028868","10.642","0.005","19.168","0.012","11.125","0.004","90","","111.89","0.02","90","","2105.7","1.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(2-methylpropylidene)isoindolin-1-one","","- C12 H13 N O -","- C12 H13 N O -","- C96 H104 N8 O8 -","8","2","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.14","0.0549","","","0.1232","0.1457","","","","","","0.898","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028869","7.135","0.0009","9.5257","0.0015","10.5396","0.0018","101.925","0.006","109.686","0.007","104.211","0.005","620.11","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(2-methoxybenzylidene)isoindolin-1-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0557","0.0407","","","0.1095","0.1142","","","","","","1.063","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028870","8.896","0.002","15.281","0.004","10.5883","0.0018","90","","97.549","0.008","90","","1426.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3-benzylidene-4,5-dimethoxyisoindolin-1-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.096","0.044","","","0.0926","0.1034","","","","","","0.947","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028871","11.1402","0.0004","19.9585","0.0006","8.477","0.0003","90","","105.839","0.004","90","","1813.23","0.11","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","1","","Ennaji Najahi; Nicolas Vanthuyne; Françoise Nepveu; Marion Jean; Ibon Alkorta; José Elguero; Christian Roussel","Atropisomerization in N-aryl-2(1H)-pyrimidin-(thi)ones: A Ring-Opening/Rotation/Ring-Closure Process in Place of a Classical Rotation around the Pivot Bond","Journal of Organic Chemistry","2013","78","","12577","12584","10.1021/jo402149f","","","0.71073","MoKα","","0.0563","0.0373","","0.0504","0.0421","0.0403","","","","","","1.1242","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028872","9.809","0.001","10.7205","0.0009","17.2919","0.0016","90","","90","","90","","1818.4","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O8 -","- C17 H20 Br N O8 -","- C68 H80 Br4 N4 O32 -","4","1","","Raquel G. Soengas; Humberto Rodríguez-Solla; Artur M. S. Silva; Ricardo Llavona; Filipe A. Almeida Paz","Synthesis of Enantiopure 2-C-Glycosyl-3-nitrochromenes","Journal of Organic Chemistry","2013","78","","12831","12836","10.1021/jo4021634","","","0.71073","MoKα","","0.0316","0.0269","","","0.0606","0.0624","","","","","","1.05","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028873","8.8179","0.0003","10.3559","0.0004","11.765","0.0004","68.551","0.002","84.289","0.002","65.136","0.002","905.38","0.06","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C24 H18 O6 -","- C24 H18 O6 -","- C48 H36 O12 -","2","1","","Alejandro Criado; Manuel Vilas-Varela; Agustín Cobas; Dolores Pérez; Diego Peña; Enrique Guitián","Stereoselective Tandem Cascade Furan Cycloadditions","Journal of Organic Chemistry","2013","78","","12637","12649","10.1021/jo4022265","","x-ray","0.7107","MoKα","","0.0412","0.0372","","","0.0991","0.1021","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028874","12.4297","0.0002","10.2084","0.0002","16.782","0.0003","90","","108.126","0.001","90","","2023.75","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 O2 -","- C32 H20 O2 -","- C128 H80 O8 -","4","1","","Alejandro Criado; Manuel Vilas-Varela; Agustín Cobas; Dolores Pérez; Diego Peña; Enrique Guitián","Stereoselective Tandem Cascade Furan Cycloadditions","Journal of Organic Chemistry","2013","78","","12637","12649","10.1021/jo4022265","","x-ray","0.7107","MoKα","","0.0948","0.0501","","","0.1007","0.1147","","","","","","1.051","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028875","9.3481","0.0004","15.1543","0.0008","17.5589","0.0008","102.658","0.003","93.541","0.003","92.639","0.003","2417.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","gr1ac367F3","","","- C38 H24 O3 -","- C38 H24 O3 -","- C152 H96 O12 -","4","2","","Alejandro Criado; Manuel Vilas-Varela; Agustín Cobas; Dolores Pérez; Diego Peña; Enrique Guitián","Stereoselective Tandem Cascade Furan Cycloadditions","Journal of Organic Chemistry","2013","78","","12637","12649","10.1021/jo4022265","","","0.71073","MoKα","","0.1675","0.0687","","","0.141","0.1919","","","","","","1.017","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028876","19.732","0.003","9.1276","0.0014","10.1906","0.0016","90","","116.057","0.002","90","","1648.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","0.5","","Jian-Ping Li; Yu Huang; Ming-Sheng Xie; Gui-Rong Qu; Hong-Ying Niu; Hai-Xia Wang; Bo-Wen Qin; Hai-Ming Guo","One-Pot Synthesis of 7,9-Dialkylpurin-8-one Analogues: Broad Substrate Scope","Journal of Organic Chemistry","2013","78","","12629","12636","10.1021/jo402248d","","","0.71073","MoKα","","0.0483","0.0354","","","0.0873","0.0962","","","","","","1.053","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028877","10.8408","0.0004","18.4917","0.0007","9.6835","0.0004","90","","100.102","0.001","90","","1911.11","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N O6 -","- C20 H19 Cl N O6 -","- C80 H76 Cl4 N4 O24 -","4","1","","Ram Tilak Naganaboina; Rama Krishna Peddinti","BF3.Etherate-Mediated Friedel-Crafts Arylation of 2-Hydroxy-1,4-benzoxazines: Synthesis of 2-Aryl-1,4-benzoxazine Derivatives","Journal of Organic Chemistry","2013","78","","12819","12824","10.1021/jo402254n","","","0.71073","MoKα","","0.0542","0.0456","","","0.1491","0.1574","","","","","","1.275","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028878","11.5447","0.0004","14.427","0.0005","19.4717","0.0007","90","","90","","90","","3243.1","0.2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Cl3 F6 N4 O2 -","- C31 H29 Cl3 F6 N4 O2 -","- C124 H116 Cl12 F24 N16 O8 -","4","1","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.0648","0.0536","","","0.1278","0.1349","","","","","","0.928","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028879","10.532","0.003","10.532","0.003","44.888","0.012","90","","90","","90","","4979","2","153","2","153","2","","","","","","","","5","P 43","P 4cw","78","","","","- C28 H24 F6 N4 O2 -","- C28 H24 F6 N4 O2 -","- C224 H192 F48 N32 O16 -","8","2","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.0913","0.0891","","","0.2127","0.2137","","","","","","1.189","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028880","18.621","0.006","9.489","0.003","11.431","0.003","90","","96.732","0.008","90","","2005.9","1","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H38 Cl6 F6 N4 O2 -","- C38 H38 Cl6 F6 N4 O2 -","- C76 H76 Cl12 F12 N8 O4 -","2","0.5","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.1","0.0882","","","0.1975","0.2049","","","","","","1.058","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028881","10.244","0.009","8.151","0.003","10.261","0.01","90","","117.66","0.04","90","","758.9","1.1","293","2","298","2","","","","","","","Synthesis","3","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C40 H32 N4 -","2","1","","Nared Phetrak; Thanya Rukkijakan; Jakkapan Sirijaraensre; Samran Prabpai; Palangpon Kongsaeree; Chayada Klinchan; Pitak Chuawong","Regioselectivity of Larock Heteroannulation: A Contribution from Electronic Properties of Diarylacetylenes","Journal of Organic Chemistry","2013","78","","12703","12709","10.1021/jo402304s","","x-ray","0.71073","MoKα","","0.0506","0.04","","","0.0953","0.1032","","","","","","1.034","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028882","8.758","0.0003","19.883","0.0006","9.721","0.0003","90","","102.512","0.0013","90","","1652.57","0.09","298","2","298","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Nared Phetrak; Thanya Rukkijakan; Jakkapan Sirijaraensre; Samran Prabpai; Palangpon Kongsaeree; Chayada Klinchan; Pitak Chuawong","Regioselectivity of Larock Heteroannulation: A Contribution from Electronic Properties of Diarylacetylenes","Journal of Organic Chemistry","2013","78","","12703","12709","10.1021/jo402304s","","x-ray","0.71073","MoKα","","0.083","0.0505","","","0.1323","0.1507","","","","","","1.095","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028883","12.3598","0.0007","8.2062","0.0006","14.7005","0.0009","90","","108.807","0.004","90","","1411.42","0.16","99.97","","99.97","","","","","","","","","6","P 1 21 1","P 2yb","4","","(3R,5R)-3-butyl-8-(diethoxyphosphorylmethyl)-3-ethyl-7-methoxy-5- phenyl-4,5-dihydro-2H-benzo[f][1,4]thiazepine 1,1-dioxide","","- C27 H40 N O6 P S -","- C27 H40 N O6 P S -","- C54 H80 N2 O12 P2 S2 -","2","1","","David J. Cowan; Jon L. Collins; Mark B. Mitchell; John A. Ray; Peter W. Sutton; Amy A. Sarjeant; Eric E. Boros","Enzymatic- and Iridium-Catalyzed Asymmetric Synthesis of a Benzothiazepinylphosphonate Bile Acid Transporter Inhibitor","Journal of Organic Chemistry","2013","78","","12726","12734","10.1021/jo402311e","","","1.54184","CuKα","","0.0725","0.0559","","","0.1318","0.1419","","","","","","1.035","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028884","10.6443","0.0005","12.4845","0.0006","12.8966","0.0006","104.609","0.002","96.556","0.002","104.52","0.002","1576.38","0.13","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H37 N O7 -","- C37 H37 N O7 -","- C74 H74 N2 O14 -","2","2","","Tobias Becker; Helmar Görls; Gerhard Pauls; Roland Wedekind; Marco Kai; Stephan H. von Reuß; Wilhelm Boland","Synthesis of Isoxazolin-5-one Glucosides by a Cascade Reaction","Journal of Organic Chemistry","2013","78","","12779","12783","10.1021/jo4023155","","","0.71073","MoKα","","0.0332","0.0299","","","0.0712","0.073","","","","","","1.041","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028885","9.4491","0.0016","12.552","0.002","20.936","0.004","105.802","0.003","90.987","0.003","101.867","0.003","2331.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 Cl N4 -","- C27 H21 Cl N4 -","- C108 H84 Cl4 N16 -","4","2","","Dan Mao; Jun Tang; Wenbo Wang; Shengying Wu; Xin Liu; Jianjun Yu; Limin Wang","Scandium Pentafluorobenzoate-Catalyzed Unexpected Cascade Reaction of 2-Aminobenzaldehydes with Primary Amines: A Process for the Preparation of Ring-Fused Aminals","Journal of Organic Chemistry","2013","78","","12848","12854","10.1021/jo402331t","","","0.71073","MoKα","","0.0729","0.0611","","","0.1977","0.2094","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028886","7.5666","0.0006","20.5185","0.0017","21.166","0.0018","90","","90","","90","","3286.1","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C168 H152 N24 -","8","1","","Dan Mao; Jun Tang; Wenbo Wang; Shengying Wu; Xin Liu; Jianjun Yu; Limin Wang","Scandium Pentafluorobenzoate-Catalyzed Unexpected Cascade Reaction of 2-Aminobenzaldehydes with Primary Amines: A Process for the Preparation of Ring-Fused Aminals","Journal of Organic Chemistry","2013","78","","12848","12854","10.1021/jo402331t","","","0.71073","MoKα","","0.0611","0.0502","","","0.1308","0.1386","","","","","","1.051","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028887","11.3009","0.0002","7.81","0.0001","20.9263","0.0003","90","","98.766","0.001","90","","1825.38","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Junbo Li; Junkuo Gao; Gang Li; Weiwei Xiong; Qichun Zhang","Azaisoquinolinones: N Positions Tell You Different Stories in Their Optical Properties","Journal of Organic Chemistry","2013","78","","12760","12768","10.1021/jo402338n","","","1.54178","CuKα","","0.0469","0.038","","","0.1203","0.1334","","","","","","0.99","","","","has coordinates","301812","2025-08-19","20:48:30",""
"4028888","14.3831","0.0004","9.8993","0.0003","14.8185","0.0005","90","","102.054","0.001","90","","2063.38","0.11","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C92 H92 N4 O16 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","301812","2025-08-19","20:48:30",""