# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T02:27:12+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Organic Chemistry') AND volume = 75 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
"4025120","12.104","0.004","12.965","0.003","15.309","0.004","76.681","0.002","104.981","0.007","114.121","0.007","2096.8","1","143","1","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H32 Cl6 O14 -","- C42 H32 Cl6 O14 -","- C84 H64 Cl12 O28 -","2","1","","Carol A. Mulrooney; Barbara J. Morgan; Xiaolin Li; Marisa C. Kozlowski","Perylenequinone Natural Products: Enantioselective Synthesis of the Oxidized Pentacyclic Core","Journal of Organic Chemistry","2010","75","","16","29","10.1021/jo9013832","","","0.71069","MoKα","","0.0999","0.0678","","0.1171","0.1079","","","","1.142","1.226","1.226","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025121","14.119","0.002","8.6717","0.0013","15.029","0.003","90","","95.874","0.006","90","","1830.4","0.5","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H44 O16 -","- C40 H44 O16 -","- C80 H88 O32 -","2","1","","Erin M. O'Brien; Barbara J. Morgan; Carol A. Mulrooney; Patrick J. Carroll; Marisa C. Kozlowski","Perylenequinone Natural Products: Total Synthesis of Hypocrellin A","Journal of Organic Chemistry","2010","75","","57","68","10.1021/jo901386d","","","0.71069","MoKα","","0.0841","0.0631","","","0.151","0.1686","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025122","12.4479","0.0013","12.4665","0.0013","16.814","0.002","102.449","0.003","103.13","0.003","90.26","0.002","2477.3","0.5","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C54 H58 O16 -","- C54 H58 O16 -","- C108 H116 O32 -","2","2","","Erin M. O'Brien; Barbara J. Morgan; Carol A. Mulrooney; Patrick J. Carroll; Marisa C. Kozlowski","Perylenequinone Natural Products: Total Synthesis of Hypocrellin A","Journal of Organic Chemistry","2010","75","","57","68","10.1021/jo901386d","","","0.71069","MoKα","","0.0925","0.0796","","","0.2148","0.2357","","","","","","1.043","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025123","9.602","0.007","11.454","0.009","10.106","0.008","90","","114.009","0.012","90","","1015.3","1.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O6 -","- C20 H31 N O6 -","- C40 H62 N2 O12 -","2","1","","Dhevalapally B. Ramachary; Y. Vijayendar Reddy","A General Approach to Chiral Building Blocks via Direct Amino Acid-Catalyzed Cascade Three-Component Reductive Alkylations: Formal Total Synthesis of HIV-1 Protease Inhibitors, Antibiotic Agglomerins, Brefeldin A, and (R)-γ-Hexanolide","Journal of Organic Chemistry","2010","75","","74","85","10.1021/jo901799n","","","0.71073","MoKα","","0.0815","0.0622","","","0.15","0.1598","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025124","24.5675","0.0013","9.4469","0.0005","12.9022","0.0006","90","","99.489","0.003","90","","2953.5","0.3","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H22 N2 O2 -","- C11 H22 N2 O2 -","- C88 H176 N16 O16 -","8","1","","Nirupam Purkayastha; Deepak M. Shendage; Roland Fröhlich; Günter Haufe","The Vinylfluoro Group as an Acetonyl Cation Equivalent: Stereoselective Synthesis of 6-Substituted 4-Hydroxy Pipecolic Acid Derivatives","Journal of Organic Chemistry","2010","75","","222","225","10.1021/jo901872a","","","1.54178","CuKα","","0.0768","0.0699","","","0.2086","0.2177","","","","","","1.076","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025125","9.8442","0.0011","10.9208","0.0013","14.2899","0.0018","106.311","0.002","109.262","0.002","94.802","0.001","1365.3","0.3","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H34 O9 S -","- C29 H34 O9 S -","- C58 H68 O18 S2 -","2","1","","Erin M. O'Brien; Jingxian Li; Patrick J. Carroll; Marisa C. Kozlowski","Synthesis of the Cores of Hypocrellin and Shiraiachrome: Diastereoselective 1,8-Diketone Aldol Cyclization","Journal of Organic Chemistry","2010","75","","69","73","10.1021/jo9018914","","","0.71069","MoKα","","0.0811","0.0753","","","0.2062","0.2127","","","","","","1.043","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025126","10.7","0.011","12.304","0.012","8.209","0.005","100.87","0.06","101.46","0.06","71.47","0.08","995.1","1.6","133.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C22 H29 Br O2 -","- C22 H29 Br O2 -","- C44 H58 Br2 O4 -","2","2","","Node, Manabu; Ozeki, Minoru; Planas, Loïc; Nakano, Masashi; Takita, Hirofumi; Mori, Daisuke; Tamatani, Shinji; Kajimoto, Tetsuya","Efficient Asymmetric Synthesis ofabeo-Abietane-Type Diterpenoids by Using the Intramolecular Heck Reaction","Journal of Organic Chemistry","2010","75","1","190","196","10.1021/jo901972b","","","0.71069","MoKα","","","0.0952","","","","0.1294","","","","","","2.708","","","","has coordinates","210086","2020-10-21","18:00:00",""
"4025127","12.039","0.002","21.525","0.002","13.205","0.002","90","","109.94","0.01","90","","3216.8","0.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Z)-ethyl-2-(5-(alloxy)-2-(tert.butyldimethylsiloxy)-4-methoxyphenyl)-2- (diphenylphosphorylimino)acetate","","- C32 H40 N O6 P Si -","- C32 H40 N O6 P Si -","- C128 H160 N4 O24 P4 Si4 -","4","1","","Patrick J. Gross; Caroline E. Hartmann; Martin Nieger; Stefan Bräse","Synthesis of Methoxyfumimycin with 1,2-Addition to Ketimines","Journal of Organic Chemistry","2010","75","","229","232","10.1021/jo902026s","","","0.71073","MoKα","","0.066","0.0462","","","0.0977","0.106","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025128","10.199","0.001","13.332","0.001","17.8","0.001","99.86","0.01","105.95","0.01","103.28","0.01","2192.7","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(E)-N-(5-hydroxy-6-methoxy-3-methyl-2-oxo-4-(prop-1-enyl)-2,3-dihydro- benzofuran-3-yl)-P,P-diphenylphosphinic amide","","- C25 H24 N O5 P -","- C25 H24 N O5 P -","- C100 H96 N4 O20 P4 -","4","2","","Patrick J. Gross; Caroline E. Hartmann; Martin Nieger; Stefan Bräse","Synthesis of Methoxyfumimycin with 1,2-Addition to Ketimines","Journal of Organic Chemistry","2010","75","","229","232","10.1021/jo902026s","","","0.71073","MoKα","","0.068","0.0469","","","0.1115","0.1231","","","","","","1.021","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4025129","8.7647","0.0015","7.3008","0.0013","18.426","0.003","90","","90.673","0.003","90","","1179","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Br F O4 -","- C25 H26 Br F O4 -","- C50 H52 Br2 F2 O8 -","2","1","","Hai-Feng Cui; Ying-Quan Yang; Zhuo Chai; Peng Li; Chang-Wu Zheng; Shi-Zheng Zhu; Gang Zhao","Enantioselective Synthesis of Functionalized Fluorinated Cyclohexenones via Robinson Annulation Catalyzed by Primary-Secondary Diamines","Journal of Organic Chemistry","2010","75","","117","122","10.1021/jo902081w","","","0.71073","MoKα","","0.0915","0.061","","","0.159","0.1823","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025130","6.0261","0.0007","19.368","0.002","20.028","0.002","90","","90","","90","","2337.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br F O3 -","- C25 H24 Br F O3 -","- C100 H96 Br4 F4 O12 -","4","1","","Hai-Feng Cui; Ying-Quan Yang; Zhuo Chai; Peng Li; Chang-Wu Zheng; Shi-Zheng Zhu; Gang Zhao","Enantioselective Synthesis of Functionalized Fluorinated Cyclohexenones via Robinson Annulation Catalyzed by Primary-Secondary Diamines","Journal of Organic Chemistry","2010","75","","117","122","10.1021/jo902081w","","","0.71073","MoKα","","0.0749","0.0443","","","0.0904","0.0963","","","","","","0.832","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025131","5.4052","0.0004","11.0625","0.0012","30.808","0.004","90","","90","","90","","1842.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Rocío Robles-Machín; María González-Esguevillas; Javier Adrio; Juan C. Carretero","Cu-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with β-Phenylsulfonyl Enones. Ligand Controlled Diastereoselectivity Reversal","Journal of Organic Chemistry","2010","75","","233","236","10.1021/jo902103z","","","0.71073","MoKα","","0.0512","0.0366","","","0.0733","0.0816","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025132","5.8985","0.0001","9.6146","0.0002","10.1578","0.0002","107.73","0.001","103.154","0.001","107.355","0.001","490.554","0.018","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","2","","Soyeong Kang; Hyeon-Kyu Lee","Highly Efficient, Enantioselective Syntheses of (S)-(+)- and (R)-(-)-Dapoxetine Starting with 3-Phenyl-1-propanol","Journal of Organic Chemistry","2010","75","","237","240","10.1021/jo902176s","","","0.71073","MoKα","","0.0498","0.0385","","","0.0904","0.0965","","","","","","1.068","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025133","52.274","0.004","8.3593","0.0006","39.186","0.003","90","","118.24","0.01","90","","15085","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82 H110 O4 S4 -","- C82 H110 O4 S4 -","- C656 H880 O32 S32 -","8","1","","Xianshun Zeng; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Joanna Gigon; Barbara Urasinska-Wojcik; Geoffrey J. Ashwell","Synthesis and Properties of Functionalized Oligo(arylene) Molecular Wires with Thiolated Termini: Competing Thiol-Au and Nitro-Au Assembly","Journal of Organic Chemistry","2010","75","","130","136","10.1021/jo902205p","","","0.71073","MoKα","","0.1788","0.0688","","","0.172","0.2201","","","","","","0.884","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025134","7.725","0.0006","8.3461","0.0005","19.3085","0.0018","79.088","0.012","82.355","0.012","75.344","0.014","1177.85","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Br N3 O6 S -","- C26 H16 Br N3 O6 S -","- C52 H32 Br2 N6 O12 S2 -","2","1","","Xianshun Zeng; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Joanna Gigon; Barbara Urasinska-Wojcik; Geoffrey J. Ashwell","Synthesis and Properties of Functionalized Oligo(arylene) Molecular Wires with Thiolated Termini: Competing Thiol-Au and Nitro-Au Assembly","Journal of Organic Chemistry","2010","75","","130","136","10.1021/jo902205p","","","0.71073","MoKα","","0.0525","0.0325","","","0.0633","0.0687","","","","","","0.933","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025135","9.919","0.002","7.3305","0.0017","11.891","0.003","90","","109.874","0.003","90","","813.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","","Manas K. Ghorai; Amit Kumar; Deo Prakash Tiwari","BF3.OEt2-Mediated Highly Regioselective SN2-Type Ring-Opening ofN-Activated Aziridines andN-Activated Azetidines by Tetraalkylammonium Halides","Journal of Organic Chemistry","2010","75","","137","151","10.1021/jo902244y","","","0.71073","MoKα","","0.0811","0.0585","","","0.1255","0.1708","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025136","8.0491","0.0006","11.8783","0.0009","11.8348","0.0009","90","","91.541","0.001","90","","1131.11","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl N O3 -","- C12 H10 Cl N O3 -","- C48 H40 Cl4 N4 O12 -","4","1","","Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody","Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones","Journal of Organic Chemistry","2010","75","","152","161","10.1021/jo902256r","","","0.71073","MoKα","","0.0334","0.0314","","","0.087","0.0887","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025137","11.4729","0.0009","13.4307","0.0011","10.9934","0.0009","90","","116.665","0.001","90","","1513.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C68 H60 N4 O12 S4 -","4","1","","Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody","Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones","Journal of Organic Chemistry","2010","75","","152","161","10.1021/jo902256r","","","0.71073","MoKα","","0.0599","0.0517","","","0.138","0.145","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025138","13.0465","0.001","13.8969","0.001","6.7162","0.0005","90","","90","","90","","1217.69","0.16","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12 H10 Br N O2 S -","- C12 H10 Br N O2 S -","- C48 H40 Br4 N4 O8 S4 -","4","0.5","","Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody","Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones","Journal of Organic Chemistry","2010","75","","152","161","10.1021/jo902256r","","","0.71073","MoKα","","0.0234","0.0219","","","0.0523","0.0531","","","","","","1.123","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025139","17.2748","0.0016","6.4985","0.0006","12.8822","0.0012","90","","103.233","0.002","90","","1407.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br N O3 P S -","- C12 H13 Br N O3 P S -","- C48 H52 Br4 N4 O12 P4 S4 -","4","1","","Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody","Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones","Journal of Organic Chemistry","2010","75","","152","161","10.1021/jo902256r","","","0.71073","MoKα","","0.0461","0.0326","","","0.0754","0.083","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025140","7.5505","0.0005","17.311","0.0011","12.7853","0.0008","90","","91.039","0.002","90","","1670.85","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N O2 S2 -","- C17 H14 Br N O2 S2 -","- C68 H56 Br4 N4 O8 S8 -","4","1","","Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody","Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones","Journal of Organic Chemistry","2010","75","","152","161","10.1021/jo902256r","","","0.71073","MoKα","","0.0264","0.024","","","0.0649","0.066","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025141","9.822","0.002","15.05","0.002","18.015","0.003","90","","90","","90","","2663","0.8","292","2","292","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O4 S -","- C32 H30 N2 O4 S -","- C128 H120 N8 O16 S4 -","4","1","","Mercedes Amat; Núria Llor; Begoña Checa; Elies Molins; Joan Bosch","A Synthetic Approach to Ervatamine-Silicine Alkaloids. Enantioselective Total Synthesis of (-)-16-Episilicine","Journal of Organic Chemistry","2010","75","","178","189","10.1021/jo902346j","","x-ray","0.71073","MoKα","","0.1868","0.0489","","","0.104","0.1305","","","","","","0.864","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025142","9.004","0.005","14.264","0.003","20.84","0.006","90","","90","","90","","2676.5","1.8","565","2","565","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O4 S -","- C32 H30 N2 O4 S -","- C128 H120 N8 O16 S4 -","4","1","","Mercedes Amat; Núria Llor; Begoña Checa; Elies Molins; Joan Bosch","A Synthetic Approach to Ervatamine-Silicine Alkaloids. Enantioselective Total Synthesis of (-)-16-Episilicine","Journal of Organic Chemistry","2010","75","","178","189","10.1021/jo902346j","","x-ray","0.71073","MoKα","","0.0948","0.0477","","","0.0833","0.097","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025143","9.204","0.0018","14.189","0.0018","11.795","0.003","90","","94.66","0.02","90","","1535.3","0.5","294","2","294","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C35 H38 N2 O5 S -","- C35 H38 N2 O5 S -","- C70 H76 N4 O10 S2 -","2","1","","Mercedes Amat; Núria Llor; Begoña Checa; Elies Molins; Joan Bosch","A Synthetic Approach to Ervatamine-Silicine Alkaloids. Enantioselective Total Synthesis of (-)-16-Episilicine","Journal of Organic Chemistry","2010","75","","178","189","10.1021/jo902346j","","x-ray","0.71073","MoKα","","0.1251","0.0587","","","0.1245","0.1446","","","","","","0.939","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025144","18.464","0.007","8.956","0.003","18.795","0.009","90","","91.8","0.019","90","","3106","2","298","1","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Ming Bian; Weijun Yao; Hanfeng Ding; Cheng Ma","Highly Efficient Access to Iminoisocoumarins and α-Iminopyrones via AgOTf-Catalyzed Intramolecular Enyne-Amide Cyclization","Journal of Organic Chemistry","2010","75","","269","272","10.1021/jo9023478","","","0.71075","MoKα","","","0.0345","","","","0.0695","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025145","8.08","0.0016","10.047","0.002","10.705","0.002","82.35","0.03","71.77","0.03","66.66","0.03","757.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Fang-Gang Sun; Xue-Liang Huang; Song Ye","Diastereoselective Synthesis of 4-Hydroxytetralones via a Cascade Stetter-Aldol Reaction Catalyzed by N-Heterocyclic Carbenes","Journal of Organic Chemistry","2010","75","","273","276","10.1021/jo902376t","","","0.71073","MoKα","","0.0476","0.0457","","","0.1158","0.1173","","","","","","1.116","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025146","9.4943","0.0019","10.749","0.002","27.628","0.006","90","","90","","90","","2819.6","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","Fang-Gang Sun; Xue-Liang Huang; Song Ye","Diastereoselective Synthesis of 4-Hydroxytetralones via a Cascade Stetter-Aldol Reaction Catalyzed by N-Heterocyclic Carbenes","Journal of Organic Chemistry","2010","75","","273","276","10.1021/jo902376t","","","0.71073","MoKα","","0.0534","0.0499","","","0.1156","0.1178","","","","","","1.219","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025147","23.374","0.002","19.273","0.002","25.05","0.002","90","","90","","90","","11284.7","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H78 F N9 O6 -","- C52 H78 F N9 O6 -","- C416 H624 F8 N72 O48 -","8","1","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Fluoride: Solution- and Solid-State Structural Binding Probe","Journal of Organic Chemistry","2010","75","","277","283","10.1021/jo901581w","","","0.71073","MoKα","","0.0698","0.0585","","","0.1632","0.1704","","","","","","1.081","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025148","10.3691","0.0005","10.4155","0.0005","11.0993","0.0005","64.144","0.001","71.293","0.001","63.249","0.001","951.65","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H53 N11 O13 -","- C33 H53 N11 O13 -","- C33 H53 N11 O13 -","1","1","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Fluoride: Solution- and Solid-State Structural Binding Probe","Journal of Organic Chemistry","2010","75","","277","283","10.1021/jo901581w","","","0.71073","MoKα","","0.0446","0.0433","","","0.1125","0.1136","","","","","","1.046","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025149","12.0283","0.0012","12.1094","0.0012","14.0344","0.0013","84.979","0.002","79.876","0.002","78.866","0.002","1971.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H42 N12 S6 -","- C35 H42 N12 S6 -","- C70 H84 N24 S12 -","2","1","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Fluoride: Solution- and Solid-State Structural Binding Probe","Journal of Organic Chemistry","2010","75","","277","283","10.1021/jo901581w","","","0.71073","MoKα","","0.0722","0.059","","","0.1555","0.1641","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025150","11.2721","0.0014","20.173","0.002","23.226","0.003","90","","91.96","0.003","90","","5278.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.9 H79.9 Cl0.21 F N12.9 O6 -","- C50.9 H79.9 Cl0.2 F N12.9 O6 -","- C203.6 H319.6 Cl0.8 F4 N51.6 O24 -","4","1","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Fluoride: Solution- and Solid-State Structural Binding Probe","Journal of Organic Chemistry","2010","75","","277","283","10.1021/jo901581w","","","0.71073","MoKα","","0.116","0.0667","","","0.1634","0.1823","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025151","9.7992","0.0004","10.4914","0.0005","18.5776","0.0009","90","","94.826","0.002","90","","1903.14","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H40 N O6.5 S -","- C37 H40 N O6.5 S -","- C74 H80 N2 O13 S2 -","2","1","","Rahul Bhattacharya; Manoj K. Kesharwani; Chinmoy Manna; Bishwajit Ganguly; Cheravakattu G. Suresh; Tanmaya Pathak","An Experimental and Theoretical Study on the Remarkable Influence of Protecting Groups on the Selectivity of Addition of Amines to Vinyl Sulfone-Modified Hex-2-enopyranosides","Journal of Organic Chemistry","2010","75","","303","314","10.1021/jo902046g","","","0.71073","MoKα","","0.0757","0.0663","","","0.1848","0.192","","","","","","1.034","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4025152","8.7034","0.0003","10.0673","0.0004","23.1719","0.0008","90","","90","","90","","2030.32","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O6 S -","- C21 H24 O6 S -","- C84 H96 O24 S4 -","4","1","","Rahul Bhattacharya; Manoj K. Kesharwani; Chinmoy Manna; Bishwajit Ganguly; Cheravakattu G. Suresh; Tanmaya Pathak","An Experimental and Theoretical Study on the Remarkable Influence of Protecting Groups on the Selectivity of Addition of Amines to Vinyl Sulfone-Modified Hex-2-enopyranosides","Journal of Organic Chemistry","2010","75","","303","314","10.1021/jo902046g","","","0.71073","MoKα","","0.0865","0.0508","","","0.1219","0.1436","","","","","","1.001","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025153","8.766","","12.419","","16.03","","92.17","","92.89","","90.28","","1741.59","","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H41 N O6 S -","- C37 H40.5 N O6 S -","- C74 H81 N2 O12 S2 -","2","2","","Rahul Bhattacharya; Manoj K. Kesharwani; Chinmoy Manna; Bishwajit Ganguly; Cheravakattu G. Suresh; Tanmaya Pathak","An Experimental and Theoretical Study on the Remarkable Influence of Protecting Groups on the Selectivity of Addition of Amines to Vinyl Sulfone-Modified Hex-2-enopyranosides","Journal of Organic Chemistry","2010","75","","303","314","10.1021/jo902046g","","","0.71073","MoKα","","0.1301","0.0611","","","0.2003","0.2209","","","","","","1.333","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4025154","10.736","0.0007","10.736","0.0007","34.045","0.004","90","","90","","90","","3924.1","0.6","294","2","294","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H17 Br N2 O6 S2 -","- C16 H17 Br N2 O6 S2 -","- C128 H136 Br8 N16 O48 S16 -","8","1","","Sadagopan Raghavan; V. Krishnaiah; B. Sridhar","Asymmetric Synthesis of the Potent HIV-Protease Inhibitor, Nelfinavir","Journal of Organic Chemistry","2010","75","","498","501","10.1021/jo902048t","","","0.71073","MoKα","","0.0461","0.0381","","","0.0909","0.0964","","","","","","1.103","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025155","9.4207","0.0019","13.29","0.003","16.037","0.004","73.315","0.014","68.206","0.009","83.527","0.013","1785.8","0.7","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H34 Cl3 N2 O P S -","- C42.5 H34 Cl3 N2 O P S -","- C85 H68 Cl6 N4 O2 P2 S2 -","2","1","","Takashi Nakabuchi; Makoto Nakashima; Shinya Fujishige; Haruyuki Nakano; Yoshihiro Matano; Hiroshi Imahori","Synthesis and Reactions of Phosphaporphyrins: Reconstruction of π-Skeleton Triggered by Oxygenation of a Core Phosphorus Atom","Journal of Organic Chemistry","2010","75","","375","389","10.1021/jo902060b","","","0.71069","MoKα","","0.1583","0.0878","","","0.231","0.2804","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025156","8.6897","0.0014","19.734","0.003","9.1977","0.0015","90","","94.59","0.001","90","","1572.2","0.4","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C41 H29 N2 O P S -","- C41 H29 N2 O P S -","- C82 H58 N4 O2 P2 S2 -","2","0.5","","Takashi Nakabuchi; Makoto Nakashima; Shinya Fujishige; Haruyuki Nakano; Yoshihiro Matano; Hiroshi Imahori","Synthesis and Reactions of Phosphaporphyrins: Reconstruction of π-Skeleton Triggered by Oxygenation of a Core Phosphorus Atom","Journal of Organic Chemistry","2010","75","","375","389","10.1021/jo902060b","","","0.7107","MoKα","","0.0413","0.0394","","","0.087","0.0884","","","","","","1.042","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025157","11.0514","0.0016","13.9951","0.0019","22.484","0.003","90","","90","","90","","3477.5","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C152 H200 N8 O24 -","8","2","","Mercedes Alonso; Roberto Chicharro; Carlos Miranda; Vicente J. Arán; Miguel A. Maestro; Bernardo Herradón","X-ray Diffraction, Solution Structure, and Computational Studies on Derivatives of (3-sec-Butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic Acid: Compounds with Activity as Calpain Inhibitors","Journal of Organic Chemistry","2010","75","","342","352","10.1021/jo902091u","","","0.71073","MoKα","","0.127","0.0615","","","0.13","0.1569","","","","","","1.036","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025158","5.5785","0.0012","14.446","0.003","16.711","0.004","90","","90","","90","","1346.7","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Mercedes Alonso; Roberto Chicharro; Carlos Miranda; Vicente J. Arán; Miguel A. Maestro; Bernardo Herradón","X-ray Diffraction, Solution Structure, and Computational Studies on Derivatives of (3-sec-Butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic Acid: Compounds with Activity as Calpain Inhibitors","Journal of Organic Chemistry","2010","75","","342","352","10.1021/jo902091u","","","0.71073","MoKα","","0.0511","0.0362","","","0.0893","0.1069","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025159","6.0434","0.0006","14.1658","0.0015","16.4204","0.0017","90","","90","","90","","1405.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","","Mercedes Alonso; Roberto Chicharro; Carlos Miranda; Vicente J. Arán; Miguel A. Maestro; Bernardo Herradón","X-ray Diffraction, Solution Structure, and Computational Studies on Derivatives of (3-sec-Butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic Acid: Compounds with Activity as Calpain Inhibitors","Journal of Organic Chemistry","2010","75","","342","352","10.1021/jo902091u","","","0.71073","MoKα","","0.1285","0.0814","","","0.2253","0.2655","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025160","4.3828","0.0006","16.726","0.002","17.199","0.002","83.172","0.002","85.081","0.002","86.689","0.002","1245.8","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","2","","Marjorie Bruder; Paul L. Haseler; Marina Muscarella; William Lewis; Christopher J. Moody","Synthesis of the Oxepinochromone Natural Products Ptaeroxylin (Desoxykarenin), Ptaeroxylinol, and Eranthin","Journal of Organic Chemistry","2010","75","","353","358","10.1021/jo902117e","","","0.71073","MoKα","","0.0975","0.085","","","0.16","0.165","","","","","","1.249","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025161","8.2079","0.0003","13.5986","0.0005","11.1717","0.0004","90","","94.385","0.002","90","","1243.29","0.08","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Marjorie Bruder; Paul L. Haseler; Marina Muscarella; William Lewis; Christopher J. Moody","Synthesis of the Oxepinochromone Natural Products Ptaeroxylin (Desoxykarenin), Ptaeroxylinol, and Eranthin","Journal of Organic Chemistry","2010","75","","353","358","10.1021/jo902117e","","","0.71073","MoKα","","0.0503","0.0381","","","0.0974","0.1057","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025162","10.937","","12.082","","12.285","","107.01","","91.64","","108.81","","1455.81","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-(4-chlorobenzoyl)-2,7-di(4-methylphenyl)-5,5-dioxo- 2,3,4,5,6,7-hexahydro-5-thieno[3,2-c]thiopyran-6-carboxylate","","- C31 H29 Cl O5 S2 -","- C31 H29 Cl O5 S2 -","- C62 H58 Cl2 O10 S4 -","2","1","","Sethuraman Indumathi; Subbu Perumal; J. Carlos Menéndez","l-Proline-Catalyzed Three-Component Domino [3+2+1] Annulation for the Regio- and Diastereoselective Synthesis of Highly Substituted Thienothiopyrans Containing Three or Four Stereocenters","Journal of Organic Chemistry","2010","75","","472","475","10.1021/jo9021327","","","0.71073","MoKα","","0.071","0.0456","","","0.1332","0.1551","","","","","","0.906","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025163","12.0572","0.0005","15.4093","0.0006","15.1911","0.0006","90","","113.1","0.002","90","","2596.1","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 7-(4-chlorophenyl)-2-(4-methylphenyl)-5,5-dioxo-2,3,4,5,6,7- hexahydro-5-thieno[3,2-c]thiopyran-4,6-dicarboxylate","","- C26 H27 Cl O6 S2 -","- C26 H27 Cl O6 S2 -","- C104 H108 Cl4 O24 S8 -","4","1","","Sethuraman Indumathi; Subbu Perumal; J. Carlos Menéndez","l-Proline-Catalyzed Three-Component Domino [3+2+1] Annulation for the Regio- and Diastereoselective Synthesis of Highly Substituted Thienothiopyrans Containing Three or Four Stereocenters","Journal of Organic Chemistry","2010","75","","472","475","10.1021/jo9021327","","","0.71073","MoKα","","0.0881","0.0518","","","0.1425","0.1752","","","","","","1.027","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025164","15.706","0.003","12.873","0.002","20.451","0.004","90","","90","","90","","4134.9","1.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H38 N2 O2 -","- C54 H38 N2 O2 -","- C216 H152 N8 O8 -","4","1","","Hiroki Iida; Munenori Shimoyama; Yoshio Furusho; Eiji Yashima","Double-Stranded Supramolecular Assembly through Salt Bridge Formation between Rigid and Flexible Amidine and Carboxylic Acid Strands","Journal of Organic Chemistry","2010","75","","417","423","10.1021/jo902158v","","","0.71073","MoKα","","0.1097","0.0703","","","0.1321","0.1466","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025165","12.3269","0.0003","11.6835","0.0003","20.8753","0.0005","90","","90","","90","","3006.49","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","2","P n a 21","P 2c -2n","33","1-(2-Methylphenyl)-2,3,4,5,6-pentaphenylbenzene","","","- C43 H32 -","- C43 H32 -","- C172 H128 -","4","1","","Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest","Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes","Journal of Organic Chemistry","2010","75","","399","406","10.1021/jo902175u","","","1.54178","CuKα","","0.0499","0.0485","","","0.1457","0.1475","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025166","12.3809","0.0004","11.7357","0.0003","21.3061","0.0005","90","","90","","90","","3095.74","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","2","P n a 21","P 2c -2n","33","1-(2,6-Dimethylphenyl)-2,3,4,5,6-pentaphenylbenzene","","","- C44 H34 -","- C44 H34 -","- C176 H136 -","4","1","","Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest","Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes","Journal of Organic Chemistry","2010","75","","399","406","10.1021/jo902175u","","","1.54178","CuKα","","0.0649","0.0642","","","0.172","0.1732","","","","","","1.098","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4025167","12.3918","0.0002","11.7268","0.0002","23.2394","0.0005","90","","98.217","0.001","90","","3342.39","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","2","P 1 21/n 1","-P 2yn","14","1-(2,6-Diethylphenyl)-2,3,4,5,6-pentaphenylbenzene","","","- C46 H38 -","- C46 H38 -","- C184 H152 -","4","1","","Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest","Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes","Journal of Organic Chemistry","2010","75","","399","406","10.1021/jo902175u","","","1.54178","CuKα","","0.0554","0.0529","","","0.146","0.1485","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025168","12.8715","0.0002","10.8218","0.0002","13.1831","0.0002","90","","102.061","0.001","90","","1795.78","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","2","P 1 21 1","P 2yb","4","1-(2,6-Diisopropylphenyl)-2,3,4,5,6-pentaphenylbenzene","","","- C48 H42 -","- C48 H42 -","- C96 H84 -","2","1","","Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest","Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes","Journal of Organic Chemistry","2010","75","","399","406","10.1021/jo902175u","","","1.54178","CuKα","","0.0323","0.0322","","","0.0845","0.0846","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025169","32.859","0.003","16.8393","0.0018","15.9699","0.0017","90","","102.535","0.01","90","","8625.9","1.6","150","","150","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H44 N4 O8 S4 -","- C43 H44 N4 O8 S4 -","- C344 H352 N32 O64 S32 -","8","1","","Ondrej Kundrat; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak","Uncommon Regioselectivity in the Thiacalix[4]arene Series: Gross Formylation of theConeConformer","Journal of Organic Chemistry","2010","75","","407","411","10.1021/jo902240h","","","1.5418","CuKα","","0.1259","0.069","","0.2248","0.1863","0.2103","","","","","","0.9704","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025170","7.6124","0.0004","12.5446","0.0007","17.6687","0.0009","93.389","0.003","95.731","0.003","104.216","0.003","1621.29","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C76 H80 N16 O4 -","4","2","","Jan Kočí; Allen G. Oliver; Viktor Krchňák","Unprecedented Rearrangement of 2-(2-Aminoethyl)-1-aryl-3,4-dihydropyrazino[1,2-b]indazole-2-ium 6-oxides to 2,3-Dihydro-1H-imidazo[1,2-b]indazoles","Journal of Organic Chemistry","2010","75","","502","505","10.1021/jo902301x","","","1.54178","CuKα","","0.0635","0.0502","","","0.1285","0.1382","","","","","","1.041","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025171","10.8289","0.0009","17.554","0.0019","21.7052","0.0019","90","","90","","90","","4126","0.7","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H55 Br2 N O6 Si3 -","- C30 H55 Br2 N O6 Si3 -","- C120 H220 Br8 N4 O24 Si12 -","4","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","A General and Efficient Synthesis of Pyridin-2-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Amino, and Carbamoyl Groups in Position 6","Journal of Organic Chemistry","2010","75","","442","449","10.1021/jo902313g","","","1.54184","CuKα","","0.0718","0.0481","","0.0757","0.0558","0.0558","","","","","","1.1709","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025172","6.8208","0.0003","9.0452","0.0004","19.7411","0.0009","90","","90","","90","","1217.94","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","A General and Efficient Synthesis of Pyridin-2-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Amino, and Carbamoyl Groups in Position 6","Journal of Organic Chemistry","2010","75","","442","449","10.1021/jo902313g","","","1.54184","CuKα","","0.0419","0.0364","","0.0453","0.0419","0.0419","","","","","","1.0933","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025173","3.8605","0.0015","16.025","0.006","6.053","0.002","90","","92.31","0.005","90","","374.2","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 N2 S2 -","- C8 H4 N2 S2 -","- C16 H8 N4 S4 -","2","0.5","","Jared F. Mike; Jeremy J. Inteman; Arkady Ellern; Malika Jeffries-EL","Facile Synthesis of 2,6-Disubstituted Benzobisthiazoles: Functional Monomers for the Design of Organic Semiconductors","Journal of Organic Chemistry","2010","75","","495","497","10.1021/jo9023864","","","0.71073","MoKα","","0.0535","0.0409","","","0.101","0.1097","","","","","","1.053","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025174","8.0071","0.0013","6.5112","0.001","10.013","0.0016","90","","112.755","0.002","90","","481.4","0.13","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 S2 -","- C10 H8 N2 S2 -","- C20 H16 N4 S4 -","2","0.5","","Jared F. Mike; Jeremy J. Inteman; Arkady Ellern; Malika Jeffries-EL","Facile Synthesis of 2,6-Disubstituted Benzobisthiazoles: Functional Monomers for the Design of Organic Semiconductors","Journal of Organic Chemistry","2010","75","","495","497","10.1021/jo9023864","","","0.71073","MoKα","","0.0474","0.0339","","","0.081","0.0882","","","","","","1.033","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025175","6.3376","0.0017","7.334","0.002","12.454","0.003","93.007","0.004","100.106","0.004","99.647","0.004","559.8","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 S2 -","- C10 H6 Cl2 N2 S2 -","- C20 H12 Cl4 N4 S4 -","2","1","","Jared F. Mike; Jeremy J. Inteman; Arkady Ellern; Malika Jeffries-EL","Facile Synthesis of 2,6-Disubstituted Benzobisthiazoles: Functional Monomers for the Design of Organic Semiconductors","Journal of Organic Chemistry","2010","75","","495","497","10.1021/jo9023864","","","0.71073","MoKα","","0.0707","0.044","","","0.1063","0.121","","","","","","0.947","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025176","7.9438","0.0006","8.8059","0.0012","9.4063","0.0007","101.693","0.001","112.534","0.001","103.475","0.001","558.93","0.1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N2 O6 P2 S2 -","- C18 H24 N2 O6 P2 S2 -","- C18 H24 N2 O6 P2 S2 -","1","0.5","","Jared F. Mike; Jeremy J. Inteman; Arkady Ellern; Malika Jeffries-EL","Facile Synthesis of 2,6-Disubstituted Benzobisthiazoles: Functional Monomers for the Design of Organic Semiconductors","Journal of Organic Chemistry","2010","75","","495","497","10.1021/jo9023864","","","0.71073","MoKα","","0.0424","0.0375","","","0.112","0.1166","","","","","","1.041","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025177","13.5377","0.0013","10.8139","0.001","12.5091","0.0012","90","","98.321","0.002","90","","1812","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O2 S4 -","- C18 H26 O2 S4 -","- C72 H104 O8 S16 -","4","1","","Larry E. Overman; Paul S. Tanis","Origin of Stereocontrol in the Construction of the 12-Oxatricyclo[6.3.1.02,7]dodecane Ring System by Prins-Pinacol Reactions","Journal of Organic Chemistry","2010","75","","455","463","10.1021/jo9024144","","","0.71073","MoKα","","0.0303","0.0268","","","0.0705","0.0725","","","","","","1.052","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025178","9.5827","0.0001","22.2922","0.0003","10.7623","0.0001","90","","107.858","0.0006","90","","2188.27","0.04","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Tanya A. Bradford; Alan D. Payne; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Practical Synthesis and Reactivity of [3]Dendralene","Journal of Organic Chemistry","2010","75","","491","494","10.1021/jo9024557","","","0.71073","MoKα","","0.0455","0.0338","","0.0905","0.0873","0.0905","","","","","","0.9395","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025179","13.5262","0.0002","9.4585","0.0001","14.0927","0.0002","90","","114.902","0.0009","90","","1635.36","0.04","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Tanya A. Bradford; Alan D. Payne; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Practical Synthesis and Reactivity of [3]Dendralene","Journal of Organic Chemistry","2010","75","","491","494","10.1021/jo9024557","","","0.71073","MoKα","","0.0445","0.035","","0.0965","0.0934","0.0965","","","","","","0.9469","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025180","8.609","0.0017","11.007","0.002","13.027","0.003","72.25","0.03","82.15","0.03","77.59","0.03","1144.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O2 S -","- C26 H22 N2 O2 S -","- C52 H44 N4 O4 S2 -","2","1","","Tuan-jie Meng; Yimin Hu; Shaowu Wang","Efficient Construction of Five-Membered Aromatic and Nonaromatic Heterocycles from 1,6-Enynes by a Palladium-Catalyzed Domino Coupling/Cycloisomerization Process","Journal of Organic Chemistry","2010","75","","582","588","10.1021/jo9020776","","","0.71073","MoKα","","0.1211","0.0768","","","0.1654","0.2013","","","","","","1","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025181","22.5786","0.0006","9.7342","0.0004","18.7906","0.0005","90","","112.34","0.0019","90","","3819.9","0.2","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H18 Cl5 N -","- C20.5 H18 Cl5 N -","- C164 H144 Cl40 N8 -","8","1","","Chris D. Smith; Julia I. Gavrilyuk; Alan J. Lough; Robert A. Batey","Lewis Acid Catalyzed Three-Component Hetero-Diels-Alder (Povarov) Reaction of N-Arylimines with Strained Norbornene-Derived Dienophiles","Journal of Organic Chemistry","2010","75","","702","715","10.1021/jo9021106","","","0.71073","MoKα","","0.0695","0.045","","","0.1077","0.1229","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025182","27.6595","0.0009","7.7863","0.0003","26.8403","0.0006","90","","103.851","0.0019","90","","5612.4","0.3","150","1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C256 H336 N16 O32 -","16","2","","Chris D. Smith; Julia I. Gavrilyuk; Alan J. Lough; Robert A. Batey","Lewis Acid Catalyzed Three-Component Hetero-Diels-Alder (Povarov) Reaction of N-Arylimines with Strained Norbornene-Derived Dienophiles","Journal of Organic Chemistry","2010","75","","702","715","10.1021/jo9021106","","","0.71073","MoKα","","0.1509","0.0593","","","0.1276","0.1667","","","","","","0.964","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025183","6.3509","0.0003","13.2208","0.0007","22.7372","0.0011","90","","94.873","0.003","90","","1902.21","0.16","150","1","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Cl2 N O2 -","- C22 H21 Cl2 N O2 -","- C88 H84 Cl8 N4 O8 -","4","1","","Chris D. Smith; Julia I. Gavrilyuk; Alan J. Lough; Robert A. Batey","Lewis Acid Catalyzed Three-Component Hetero-Diels-Alder (Povarov) Reaction of N-Arylimines with Strained Norbornene-Derived Dienophiles","Journal of Organic Chemistry","2010","75","","702","715","10.1021/jo9021106","","","0.71073","MoKα","","0.1189","0.0501","","","0.1027","0.1249","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025184","13.6787","0.0003","15.7928","0.0003","17.9803","0.0004","90","","107.204","0.0011","90","","3710.4","0.14","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 O3 -","- C21 H16 Cl2 O3 -","- C168 H128 Cl16 O24 -","8","2","","Haruyasu Asahara; Kohta Saito; Naohiko Ikuma; Takumi Oshima","Kinetic Evidence for Dihapto (η2) π-Aryl Participation in Acid-Catalyzed Ring Opening of Diarylhomobenzoquinone Epoxides","Journal of Organic Chemistry","2010","75","","733","740","10.1021/jo902179x","","","1.54187","CuKα","","","0.0762","","","","0.2478","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025185","8.9422","0.0002","10.7454","0.0003","10.7371","0.0003","90","","110.343","0.0014","90","","967.35","0.04","296.1","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C46 H44 O10 -","2","1","","Haruyasu Asahara; Kohta Saito; Naohiko Ikuma; Takumi Oshima","Kinetic Evidence for Dihapto (η2) π-Aryl Participation in Acid-Catalyzed Ring Opening of Diarylhomobenzoquinone Epoxides","Journal of Organic Chemistry","2010","75","","733","740","10.1021/jo902179x","","","1.54187","CuKα","","","0.0481","","","","0.122","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025186","5.683","0.002","16.352","0.006","22.299","0.009","90","","90","","90","","2072.2","1.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O4 S -","- C21 H28 N2 O4 S -","- C84 H112 N8 O16 S4 -","4","1","","Motohiro Akazome; Ai Doba; Shoji Matsumoto; Katsuyuki Ogura","Predominant (S)-Enantioselective Inclusion of Aryl Methyl Sulfoxides by (S)-Isoleucyl-(S)-phenylglycines","Journal of Organic Chemistry","2010","75","","660","665","10.1021/jo902197k","","","0.71073","MoKα","","0.0696","0.0464","","","0.092","0.1016","","","","","","1.052","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025187","5.8273","0.001","15.945","0.003","24.097","0.004","90","","90","","90","","2239","0.7","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 N2 O4 S -","- C23 H32 N2 O4 S -","- C92 H128 N8 O16 S4 -","4","1","","Motohiro Akazome; Ai Doba; Shoji Matsumoto; Katsuyuki Ogura","Predominant (S)-Enantioselective Inclusion of Aryl Methyl Sulfoxides by (S)-Isoleucyl-(S)-phenylglycines","Journal of Organic Chemistry","2010","75","","660","665","10.1021/jo902197k","","","0.71073","MoKα","","0.0546","0.0485","","","0.1048","0.1086","","","","","","1.08","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025188","5.3975","0.0005","13.4459","0.0011","29.519","0.003","90","","90","","90","","2142.3","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O4 S -","- C22 H30 N2 O4 S -","- C88 H120 N8 O16 S4 -","4","1","","Motohiro Akazome; Ai Doba; Shoji Matsumoto; Katsuyuki Ogura","Predominant (S)-Enantioselective Inclusion of Aryl Methyl Sulfoxides by (S)-Isoleucyl-(S)-phenylglycines","Journal of Organic Chemistry","2010","75","","660","665","10.1021/jo902197k","","","0.71073","MoKα","","0.0409","0.0339","","","0.0698","0.0733","","","","","","0.981","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025189","9.02","0.002","18.831","0.003","30.265","0.005","90","","95.108","0.003","90","","5120.3","1.6","100","1","100","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 N O3 -","- C33 H31 N O3 -","- C264 H248 N8 O24 -","8","2","","Artem A. Kulago; Emile M. Mes; Martin Klok; Auke Meetsma; Albert M. Brouwer; Ben L. Feringa","Ultrafast Light-Driven Nanomotors Based on an Acridane Stator","Journal of Organic Chemistry","2010","75","","666","679","10.1021/jo902207x","","","0.71073","MoKα","","0.0938","0.0502","","","0.1027","0.1176","","","","","","1.009","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025190","8.1504","0.0004","13.688","0.0009","20.7496","0.0014","90","","91.897","0.005","90","","2313.6","0.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 O5 -","- C16 H8 O5 -","- C128 H64 O40 -","8","2","","Anthony J. Lawrence; Michael G. Hutchings; Alan R. Kennedy; Joseph J. W. McDouall","Benzodifurantrione: A Stable Phenylogous Enol","Journal of Organic Chemistry","2010","75","","690","701","10.1021/jo9022155","","","1.5418","CuKα","","0.119","0.0458","","","0.0951","0.1079","","","","","","0.754","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025191","9.368","0.002","10.165","0.002","14.648","0.003","90","","93.391","0.005","90","","1392.4","0.5","173","","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(Benzyloxy)-2,4,6-trimethylnicotinnitrile","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Tilman Lechel; Jyotirmayee Dash; Paul Hommes; Dieter Lentz; Hans-Ulrich Reissig","Three-Component Synthesis of Perfluoroalkyl- or Perfluoroaryl-Substituted 4-Hydroxypyridine Derivatives and Their Palladium-Catalyzed Coupling Reactions","Journal of Organic Chemistry","2010","75","","726","732","10.1021/jo9022183","","","0.71073","MoKα","","0.091","0.0536","","","0.1416","0.1605","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025192","17.002","0.003","17.002","0.003","31.216","0.011","90","","90","","90","","9024","4","133","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","2-tert-Butyl-3,4,5-triphenyl-6-(trifluoromethyl)pyridine","","- C28 H24 F3 N -","- C28 H24 F3 N -","- C448 H384 F48 N16 -","16","1","","Tilman Lechel; Jyotirmayee Dash; Paul Hommes; Dieter Lentz; Hans-Ulrich Reissig","Three-Component Synthesis of Perfluoroalkyl- or Perfluoroaryl-Substituted 4-Hydroxypyridine Derivatives and Their Palladium-Catalyzed Coupling Reactions","Journal of Organic Chemistry","2010","75","","726","732","10.1021/jo9022183","","","0.71073","MoKα","","0.0971","0.0675","","","0.1788","0.2104","","","","","","1.092","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4025193","14.393","0.003","9.2214","0.0018","23.961","0.005","90","","93.52","0.03","90","","3174.2","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43.5 N12 -","- C32 H43.711 N12 -","- C128 H174.844 N48 -","4","1","","Li-Xia Wang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Highly Selective Bromination of Azacalix[4]pyrimidine Macrocycles","Journal of Organic Chemistry","2010","75","","741","747","10.1021/jo902245q","","","0.71073","MoKα","","0.0997","0.0686","","","0.1593","0.1735","","","","","","1.089","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025194","17.896","0.003","17.896","0.003","16.855","0.003","90","","90","","90","","5398.1","1.6","173","2","173","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C48 H44 N12 O4 -","- C48 H44 N12 O4 -","- C192 H176 N48 O16 -","4","0.25","","Li-Xia Wang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Highly Selective Bromination of Azacalix[4]pyrimidine Macrocycles","Journal of Organic Chemistry","2010","75","","741","747","10.1021/jo902245q","","","0.71073","MoKα","","0.0916","0.0856","","","0.1732","0.1764","","","","","","1.251","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025195","11.065","0.002","14.93","0.003","17.57","0.003","112.7","0.03","100.32","0.03","101.42","0.03","2517.7","1.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 Br3 N12 -","- C20 H17 Br3 N12 -","- C80 H68 Br12 N48 -","4","2","","Li-Xia Wang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Highly Selective Bromination of Azacalix[4]pyrimidine Macrocycles","Journal of Organic Chemistry","2010","75","","741","747","10.1021/jo902245q","","","0.71073","MoKα","","0.0644","0.0532","","","0.1244","0.1306","","","","","","1.094","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025196","9.774","0.002","11.296","0.002","12.97","0.003","84.32","0.03","74.96","0.03","72.97","0.03","1321.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Br2 N13 O2 -","- C24 H23 Br2 N13 O2 -","- C48 H46 Br4 N26 O4 -","2","1","","Li-Xia Wang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Highly Selective Bromination of Azacalix[4]pyrimidine Macrocycles","Journal of Organic Chemistry","2010","75","","741","747","10.1021/jo902245q","","","0.71073","MoKα","","0.0419","0.0365","","","0.0894","0.0924","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025197","11.537","0.007","14.916","0.007","7.794","0.004","90","","90","","90","","1341.2","1.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H13 I O2 -","- C16 H13 I O2 -","- C64 H52 I4 O8 -","4","1","","Raffaella Mancuso; Saurabh Mehta; Bartolo Gabriele; Giuseppe Salerno; William S. Jenks; Richard C. Larock","A Simple and Mild Synthesis of 1H-Isochromenes and (Z)-1-Alkylidene-1,3-dihydroisobenzofurans by the Iodocyclization of 2-(1-Alkynyl)benzylic Alcohols","Journal of Organic Chemistry","2010","75","","897","901","10.1021/jo902333y","","","0.71073","MoKα","","0.0583","0.0408","","","0.0974","0.1137","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025198","11.2638","0.0019","10.3724","0.0018","15.229","0.003","90","","108.35","0.003","90","","1688.8","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 I O -","- C19 H19 I O -","- C76 H76 I4 O4 -","4","1","","Raffaella Mancuso; Saurabh Mehta; Bartolo Gabriele; Giuseppe Salerno; William S. Jenks; Richard C. Larock","A Simple and Mild Synthesis of 1H-Isochromenes and (Z)-1-Alkylidene-1,3-dihydroisobenzofurans by the Iodocyclization of 2-(1-Alkynyl)benzylic Alcohols","Journal of Organic Chemistry","2010","75","","897","901","10.1021/jo902333y","","","0.71073","MoKα","","0.0271","0.0246","","","0.061","0.0626","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025199","7.7954","0.0015","14.349","0.003","17.845","0.004","90","","90","","90","","1996.1","0.7","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O S -","- C27 H20 O S -","- C108 H80 O4 S4 -","4","1","","Thomas C. Pijper; Dirk Pijper; Michael M. Pollard; Frédéric Dumur; Stephen G. Davey; Auke Meetsma; Ben L. Feringa","An Enantioselective Synthetic Route toward Second-Generation Light-Driven Rotary Molecular Motors","Journal of Organic Chemistry","2010","75","","825","838","10.1021/jo902348u","","","0.71073","MoKα","","0.067","0.0429","","","0.0761","0.0832","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025200","19.2693","0.0006","19.2693","0.0006","7.4979","0.0001","90","","90","","90","","2784.01","0.13","200","","200","","","","","","","","from U Wollongong","5","P 42","P 4c","77","","","","- C28 H39 N O4 Si -","- C28 H39 N O4 Si -","- C112 H156 N4 O16 Si4 -","4","1","","Thunwadee Ritthiwigrom; Anthony C. Willis; Stephen G. Pyne","Total Synthesis of Uniflorine A, Casuarine, Australine, 3-epi-Australine, and 3,7-Di-epi-australine from a Common Precursor","Journal of Organic Chemistry","2010","75","","815","824","10.1021/jo902355p","","","0.71073","MoKα","","0.0506","0.035","","0.0777","0.0732","0.0777","","","","","","0.8724","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025201","10.9112","0.0009","7.7032","0.0007","34.108","0.003","90","","90","","90","","2866.8","0.4","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H20 F6 -","- C42 H20 F6 -","- C168 H80 F24 -","4","0.5","","Jinling Li; Kai Zhang; Xiaojie Zhang; Kuo-Wei Huang; Chunyan Chi; Jishan Wu","meso-Substituted Bisanthenes as Soluble and Stable Near-infrared Dyes","Journal of Organic Chemistry","2010","75","","856","863","10.1021/jo902413h","","","0.71073","MoKα","","0.1053","0.0775","","","0.1543","0.167","","","","","","1.109","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025202","6.109","0.0005","15.4595","0.0013","18.0045","0.0015","90","","90","","90","","1700.4","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H26 N O S Si -","- C13 H26 N O S Si -","- C52 H104 N4 O4 S4 Si4 -","4","1","","Bai-Ling Chen; Bing Wang; Guo-Qiang Lin","Highly Diastereoselective Addition of Alkynylmagnesium Chlorides to N-tert-Butanesulfinyl Aldimines: A Practical and General Access to Chiral α-Branched Amines","Journal of Organic Chemistry","2010","75","","941","944","10.1021/jo902424m","","","0.71073","MoKα","","0.0744","0.0459","","","0.1017","0.1171","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025203","7.591","0.002","7.82","0.002","8.966","0.003","98.326","0.004","101.303","0.004","116.283","0.004","451.4","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 N2 -","- C11 H10 N2 -","- C22 H20 N4 -","2","1","","Glenn A. Burley; David L. Davies; Gerry A. Griffith; Michael Lee; Kuldip Singh","Cu-Catalyzed N-Alkynylation of Imidazoles, Benzimidazoles, Indazoles, and Pyrazoles Using PEG as Solvent Medium","Journal of Organic Chemistry","2010","75","","980","983","10.1021/jo902466f","","","0.71073","MoKα","","0.1004","0.0941","","","0.2539","0.2654","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025204","17.803","0.013","5.777","0.004","12.736","0.01","90","","90.71","0.02","90","","1309.8","1.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","1","","Glenn A. Burley; David L. Davies; Gerry A. Griffith; Michael Lee; Kuldip Singh","Cu-Catalyzed N-Alkynylation of Imidazoles, Benzimidazoles, Indazoles, and Pyrazoles Using PEG as Solvent Medium","Journal of Organic Chemistry","2010","75","","980","983","10.1021/jo902466f","","","0.71073","MoKα","","0.2773","0.0994","","","0.2167","0.3129","","","","","","0.757","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025205","14.93","0.03","7.443","0.007","16.84","0.02","90","","94.837","0.009","90","","1865","5","150.1","","150.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 O5 S -","- C19 H26 O5 S -","- C76 H104 O20 S4 -","4","1","","Nobuko Watanabe; Masato Kikuchi; Yuusuke Maniwa; Hisako K. Ijuin; Masakatsu Matsumoto","Synthesis of Sulfanyl-, Sulfinyl-, and Sulfonyl-Substituted Bicyclic Dioxetanes and Their Base-Induced Chemiluminescence","Journal of Organic Chemistry","2010","75","","879","884","10.1021/jo902477n","","","0.7107","MoKα","","","0.057","","","","0.174","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025206","8.26","0.01","19","0.02","12.758","0.012","90","","104.12","0.02","90","","1942","4","120.1","","120.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 O7 S -","- C19 H26 O7 S -","- C76 H104 O28 S4 -","4","1","","Nobuko Watanabe; Masato Kikuchi; Yuusuke Maniwa; Hisako K. Ijuin; Masakatsu Matsumoto","Synthesis of Sulfanyl-, Sulfinyl-, and Sulfonyl-Substituted Bicyclic Dioxetanes and Their Base-Induced Chemiluminescence","Journal of Organic Chemistry","2010","75","","879","884","10.1021/jo902477n","","","0.7107","MoKα","","","0.05","","","","0.126","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025207","13.862","0.008","18.871","0.009","13.182","0.007","90","","112.2","1","90","","3193","2","113.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H26 Cl2 O -","- C43 H24 Cl2 O -","- C172 H96 Cl8 O4 -","4","1","","Toshiyuki Kowada; Toshihisa Kuwabara; Kouichi Ohe","Synthesis, Structures, and Optical Properties of Heteroarene-Fused Dispiro Compounds","Journal of Organic Chemistry","2010","75","","906","913","10.1021/jo902482n","","","0.7107","MoKα","","","0.0752","","","","0.2031","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025208","14.49","0.006","11.893","0.004","21.667","0.008","90","","108.022","0.005","90","","3551","2","153.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H29 N O -","- C50.5 H29 N O0.5 -","- C202 H116 N4 O2 -","4","1","","Toshiyuki Kowada; Toshihisa Kuwabara; Kouichi Ohe","Synthesis, Structures, and Optical Properties of Heteroarene-Fused Dispiro Compounds","Journal of Organic Chemistry","2010","75","","906","913","10.1021/jo902482n","","","0.7107","MoKα","","","0.0695","","","","0.086","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025209","23.11","0.015","9.92","0.006","14.678","0.01","90","","95.349","0.003","90","","3350","4","153.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H24 S -","- C49 H24 S -","- C196 H96 S4 -","4","0.5","","Toshiyuki Kowada; Toshihisa Kuwabara; Kouichi Ohe","Synthesis, Structures, and Optical Properties of Heteroarene-Fused Dispiro Compounds","Journal of Organic Chemistry","2010","75","","906","913","10.1021/jo902482n","","","0.7107","MoKα","","","0.0622","","","","0.1191","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025210","6.3664","0.001","8.9574","0.0014","34.323","0.005","90","","94.721","0.003","90","","1950.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br O -","- C25 H19 Br O -","- C100 H76 Br4 O4 -","4","1","","Xiang-Ying Tang; Min Shi","A Synthetic Protocol of Trans-Substituted Cyclopentenes via the Ring-Opening Rearrangement of MCP Alkenyl Derivatives","Journal of Organic Chemistry","2010","75","","902","905","10.1021/jo902512q","","","0.71073","MoKα","","0.1044","0.0461","","","0.1036","0.1325","","","","","","0.802","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025211","11.828","0.0005","8.994","0.0003","10.1781","0.0003","90","","105.906","0.0015","90","","1041.3","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dm-15f","2-oxabiciclo[3,2,0]heptano","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","","Alberto Avenoza; Jesús H. Busto; Noelia Canal; Francisco Corzana; Jesús M. Peregrina; Marta Pérez-Fernández; Fernando Rodríguez","Cyclobutane Amino Acid Analogues of Furanomycin Obtained by a Formal [2 + 2] Cycloaddition Strategy Promoted by Methylaluminoxane","Journal of Organic Chemistry","2010","75","","545","552","10.1021/jo9025258","","","0.71073","MoKα","","0.0896","0.0526","","","0.1318","0.1508","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025212","15.151","0.0004","8.909","0.0006","17.225","0.0008","90","","90","","90","","2325","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 F3 N O4 -","- C10 H12 F3 N O4 -","- C80 H96 F24 N8 O32 -","8","1","","Alberto Avenoza; Jesús H. Busto; Noelia Canal; Francisco Corzana; Jesús M. Peregrina; Marta Pérez-Fernández; Fernando Rodríguez","Cyclobutane Amino Acid Analogues of Furanomycin Obtained by a Formal [2 + 2] Cycloaddition Strategy Promoted by Methylaluminoxane","Journal of Organic Chemistry","2010","75","","545","552","10.1021/jo9025258","","","0.71073","MoKα","","0.0871","0.0619","","","0.1561","0.1764","","","","","","1.117","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025213","17.109","0.005","5.1775","0.0016","20.234","0.006","90","","103.901","0.004","90","","1739.9","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","2","","Fujii, Hideaki; Imaide, Satomi; Watanabe, Akio; Yoza, Kenji; Nakajima, Mayumi; Nakao, Kaoru; Mochizuki, Hidenori; Sato, Noriko; Nemoto, Toru; Nagase, Hiroshi","A Double Decarboxylation Reaction of an Oxazolidinone and Carboxylic Acid: Its Application to the Synthesis of a New Opioid Lead Compound","Journal of Organic Chemistry","2010","75","3","995","998","10.1021/jo9025463","","","0.71073","MoKα","","0.0908","0.0611","","","0.1398","0.1558","","","","","","1.005","","","","has coordinates","210082","2020-10-21","18:00:00",""
"4025214","9.712","0.003","16.782","0.006","10.548","0.002","90","","94.34","0.02","90","","1714.3","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C72 H108 N4 O12 -","4","1","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.0805","0.0456","","","0.0949","0.111","","","","","","1.036","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025215","9.96","0.003","10.936","0.004","13.069","0.003","90","","105.59","0.02","90","","1371.1","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O -","- C14 H23 N O -","- C56 H92 N4 O4 -","4","2","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.0723","0.0508","","","0.1219","0.1367","","","","","","1.022","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025216","12.7366","0.0006","16.7329","0.0008","20.3046","0.0008","90","","90","","90","","4327.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O3 -","- C23 H33 N O3 -","- C184 H264 N8 O24 -","8","2","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.0784","0.0553","","","0.1299","0.1538","","","","","","1.232","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025217","20.4898","0.0007","19.6511","0.0007","10.7957","0.0003","90","","93.122","0.002","90","","4340.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N O3 -","- C24 H35 N O3 -","- C192 H280 N8 O24 -","8","2","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.1412","0.1035","","","0.2455","0.2781","","","","","","1.14","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025218","41.4565","0.0014","13.3049","0.0004","20.3912","0.0004","90","","104.578","0.002","90","","10885.2","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H37 N O3 -","- C32 H37 N O3 -","- C512 H592 N16 O48 -","16","2","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.1514","0.0908","","","0.1436","0.1684","","","","","","1.562","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025219","11.357","","19.644","","20.167","","70.84","","87","","81.05","","4198.22","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C97 H113 Cl2 N3 -","- C97 H113 Cl2 N3 -","- C194 H226 Cl4 N6 -","2","1","","Eva M. García-Frutos; Gunther Hennrich; Enrique Gutierrez; Angeles Monge; Berta Gómez-Lor","Self-Assembly of C3-Symmetrical Hexaaryltriindoles Driven by Solvophobic and CH-π Interactions","Journal of Organic Chemistry","2010","75","","1070","1076","10.1021/jo902013v","","","0.71073","MoKα","","0.2263","0.1731","","","0.3997","0.4314","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025220","16.998","0.003","17.548","0.003","19.521","0.004","76.506","0.004","70.271","0.003","85.488","0.004","5329.6","1.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H125 N9 O5 -","- C112 H125 N9 O5 -","- C224 H250 N18 O10 -","2","1","","Eva M. García-Frutos; Gunther Hennrich; Enrique Gutierrez; Angeles Monge; Berta Gómez-Lor","Self-Assembly of C3-Symmetrical Hexaaryltriindoles Driven by Solvophobic and CH-π Interactions","Journal of Organic Chemistry","2010","75","","1070","1076","10.1021/jo902013v","","","0.71073","MoKα","","0.2559","0.1352","","","0.3524","0.3988","","","","","","1.044","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025221","12.7243","0.0006","7.8174","0.0003","14.303","0.0006","90","","90.712","0.002","90","","1422.62","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O2 S3 -","- C16 H12 O2 S3 -","- C64 H48 O8 S12 -","4","1","","Changsik Song; Timothy M. Swager","Reactive Conducting Thiepin Polymers","Journal of Organic Chemistry","2010","75","","999","1005","10.1021/jo902079j","","","0.71073","MoKα","","0.0337","0.0299","","","0.0818","0.0851","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025222","12.9363","0.0005","7.8335","0.0003","14.2432","0.0004","90","","91.288","0.001","90","","1442.99","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O3 S3 -","- C16 H12 O3 S3 -","- C64 H48 O12 S12 -","4","1","","Changsik Song; Timothy M. Swager","Reactive Conducting Thiepin Polymers","Journal of Organic Chemistry","2010","75","","999","1005","10.1021/jo902079j","","","0.71073","MoKα","","0.0391","0.0375","","","0.106","0.1072","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025223","10.14","0.002","5.7779","0.0012","16.691","0.003","90","","104.79","0.03","90","","945.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Br O5 P -","- C18 H22 Br O5 P -","- C36 H44 Br2 O10 P2 -","2","1","","Sampak Samanta; Sandun Perera; Cong-Gui Zhao","Organocatalytic Enantioselective Synthesis of Both Diastereomers of α-Hydroxyphosphinates","Journal of Organic Chemistry","2010","75","","1101","1106","10.1021/jo9022099","","","0.7107","MoKα","","0.048","0.044","","","0.091","0.094","","","","","","1.06","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025224","16.0988","0.0003","22.0048","0.0007","17.5308","0.0005","90","","113.034","0.001","90","","5715.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O2 S -","- C21 H23 N O2 S -","- C252 H276 N12 O24 S12 -","12","3","","Sun Young Kim; Young Keun Chung","Rhodium(I)-Catalyzed Cycloisomerization of 1,6-Enynes to Bicyclo[4.1.0]heptenes","Journal of Organic Chemistry","2010","75","","1281","1284","10.1021/jo902273x","","","0.71073","MoKα","","0.1297","0.0882","","","0.233","0.278","","","","","","1.051","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025225","7.0615","0.0006","10.5166","0.0009","15.2154","0.0014","87.908","0.002","78.661","0.002","72.122","0.001","1054.04","0.16","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","2","","Nitin T. Patil; Rahul D. Kavthe; Vivek S. Raut; Valmik S. Shinde; Balasubramanian Sridhar","Gold- and Platinum-Catalyzed Formal Markownikoff's Double Hydroamination of Alkynes: A Rapid Access to Tetrahydroquinazolinones and Angularly-Fused Analogues Thereof","Journal of Organic Chemistry","2010","75","","1277","1280","10.1021/jo902293f","","","0.71073","MoKα","","0.047","0.0392","","","0.1046","0.1112","","","","","","1.025","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025226","6.755","0.0001","8.427","0.0002","25.7","0.0004","90","","90","","90","","1462.96","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 Cl N -","- C14 H26 Cl N -","- C56 H104 Cl4 N4 -","4","1","","Juan A. Faraldos; Benson Kariuki; Rudolf K. Allemann","Intermediacy of Eudesmane Cation during Catalysis by Aristolochene Synthase","Journal of Organic Chemistry","2010","75","","1119","1125","10.1021/jo902397v","","","0.71073","MoKα","","0.0496","0.0416","","","0.0971","0.1029","","","","","","1.056","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025227","5.6689","0.0003","16.693","0.0008","8.1306","0.0004","90","","100.449","0.002","90","","756.65","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 F2 N4 -","- C14 H24 F2 N4 -","- C28 H48 F4 N8 -","2","0.5","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0469","0.0367","","","0.0945","0.1007","","","","","","1.055","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025228","20.0324","0.001","23.7621","0.0014","22.2774","0.0012","90","","115.616","0.002","90","","9562","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B F24 N4 -","- C46 H38 B F24 N4 -","- C368 H304 B8 F192 N32 -","8","2","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0869","0.0505","","","0.1316","0.1542","","","","","","0.95","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025229","10.0811","0.0014","11.002","0.002","22.144","0.004","84.315","0.003","85.095","0.005","78.11","0.005","2386.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 B F24 N4 -","- C46 H38 B F24 N4 -","- C92 H76 B2 F48 N8 -","2","1","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0831","0.0475","","","0.0983","0.1126","","","","","","1.021","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025230","8.8766","0.001","12.1306","0.0012","22.447","0.003","90","","90","","90","","2417.1","0.5","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C16 H29 F12 N5 P2 -","- C16 H29 F12 N5 P2 -","- C64 H116 F48 N20 P8 -","4","0.5","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0391","0.0317","","","0.0823","0.0879","","","","","","1.018","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025231","12.5482","0.001","8.0967","0.0007","13.0553","0.0011","90","","117.338","0.004","90","","1178.26","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Tetrakis(piperidylamino)benzene","","","- C26 H42 N4 -","- C26 H42 N4 -","- C52 H84 N8 -","2","0.5","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0628","0.0472","","","0.1188","0.1268","","","","","","1.062","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025232","12.2176","0.0004","12.7937","0.0004","21.1705","0.0006","97.433","0.002","96.91","0.002","117.617","0.001","2845.6","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 B F24 N4 -","- C58 H54 B F24 N4 -","- C116 H108 B2 F48 N8 -","2","1","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.1046","0.079","","","0.2247","0.2554","","","","","","1.055","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025233","13.5646","0.0005","17.3356","0.0006","18.3183","0.0007","90","","103.854","0.002","90","","4182.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 I10 N4 -","- C26 H42 I10 N4 -","- C104 H168 I40 N16 -","4","1","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0407","0.0282","","","0.0595","0.0628","","","","","","1.098","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025234","7.99","0.003","6.322","0.002","20.989","0.008","90","","92.353","0.006","90","","1059.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N4 O4 -","- C22 H34 N4 O4 -","- C44 H68 N8 O8 -","2","0.5","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.075","0.0662","","","0.2007","0.2048","","","","","","1.211","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025235","10.3234","0.0012","16.922","0.002","16.18","0.0018","90","","94.011","0.007","90","","2819.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 F12 N4 O4 P2 -","- C22 H34 F12 N4 O4 P2 -","- C88 H136 F48 N16 O16 P8 -","4","1","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.1027","0.0572","","","0.1294","0.1513","","","","","","0.943","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025236","10.9842","0.0019","12.015","0.002","24.528","0.005","90","","101.958","0.004","90","","3166.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 N4 O3 -","- C43 H28 N4 O3 -","- C172 H112 N16 O12 -","4","1","","Subhadeep Banerjee; Matthias Zeller; Christian Brückner","OsO4-Mediated Dihydroxylation of meso-Tetraphenylporphyrin N-Oxide and Transformation of the Resulting Diolchlorin N-Oxide Regioisomers","Journal of Organic Chemistry","2010","75","","1179","1187","10.1021/jo9024286","","","0.71073","MoKα","","0.0772","0.0629","","","0.1342","0.141","","","","","","1.198","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025237","10.2029","0.0002","10.3818","0.0002","25.7025","0.0004","90","","90","","90","","2722.52","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Br N3 O4 S -","- C29 H30 Br N3 O4 S -","- C116 H120 Br4 N12 O16 S4 -","4","1","","Francis N. Murigi; Gary S. Nichol; Eugene A. Mash","Synthesis of the Conformationally Constrained Tyrosine Analogues, (R)- and (S)-5-Hydroxy-2-aminoindan-2-carboxylic Acids","Journal of Organic Chemistry","2010","75","","1293","1296","10.1021/jo902438s","","","1.54178","CuKα","","0.0463","0.0433","","","0.1011","0.1024","","","","","","1.196","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025238","7.1895","0.0002","6.1491","0.0002","11.6112","0.0004","90","","106.281","0.001","90","","492.73","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","","Francis N. Murigi; Gary S. Nichol; Eugene A. Mash","Synthesis of the Conformationally Constrained Tyrosine Analogues, (R)- and (S)-5-Hydroxy-2-aminoindan-2-carboxylic Acids","Journal of Organic Chemistry","2010","75","","1293","1296","10.1021/jo902438s","","","1.54178","CuKα","","0.03","0.0288","","","0.0697","0.0705","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025239","11.5977","0.0009","16.253","0.002","11.883","0.004","90","","90.64","0.02","90","","2239.8","0.8","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O2 -","- C26 H31 N O2 -","- C104 H124 N4 O8 -","4","1","","Stephen G. Davies; Christopher J. Goodwin; David Hepworth; Paul M. Roberts; James E. Thomson","On the Origins of Diastereoselectivity in the Alkylation of Enolates Derived from N-1-(1'-Naphthyl)ethyl-O-tert-butylhydroxamates: Chiral Weinreb Amide Equivalents","Journal of Organic Chemistry","2010","75","","1214","1227","10.1021/jo902499s","","","0.71073","MoKα","","","0.049","","","","0.059","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025240","17.973","0.005","7.4851","0.0018","8.244","0.002","90","","93.482","0.015","90","","1107","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","NDT","NDT","","- C14 H8 S2 -","- C14 H8 S2 -","- C56 H32 S8 -","4","1","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.1162","0.0932","","","0.252","0.2846","","","","","","0.94","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025241","6.542","0.004","9.1","0.006","19.268","0.012","90","","90","","90","","1147.1","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","NDS","NDS","","- C14 H8 Se2 -","- C14 H8 Se2 -","- C56 H32 Se8 -","4","0.5","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.0543","0.0375","","","0.0755","0.0797","","","","","","0.723","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025242","5.369","0.009","11.119","0.019","12.03","0.02","109.24","0.02","98.78","0.02","93.683","0.019","665","1.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","C8-NDT","C8-NDT","","- C30 H40 S2 -","- C30 H40 S2 -","- C30 H40 S2 -","1","0.5","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.0704","0.0518","","","0.1263","0.1324","","","","","","0.73","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025243","6.823","0.007","7.355","0.008","19.05","0.02","90","0.004","90.427","0.004","90","0.004","956","1.7","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","DPh-NDT","DPh-NDT","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.0674","0.0519","","","0.1201","0.1268","","","","","","0.848","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025244","9.5287","0.0003","17.6893","0.0006","9.7101","0.0003","90","","91.9406","0.0016","90","","1635.76","0.09","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C80 H64 N16 O8 -","8","2","","Michael Krayer; Marcin Ptaszek; Han-Je Kim; Kelly R. Meneely; Dazhong Fan; Kristen Secor; Jonathan S. Lindsey","Expanded Scope of Synthetic Bacteriochlorins via Improved Acid Catalysis Conditions and Diverse Dihydrodipyrrin-Acetals","Journal of Organic Chemistry","2010","75","","1016","1039","10.1021/jo9025572","","","0.71073","MolybdenumKα","","0.087","0.066","","0.065","0.06","","","","","1.54","1.54","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4025245","28.7675","0.001","8.4494","0.0003","17.6278","0.0008","90","","126.142","0.003","90","","3460.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 N O -","- C23 H17 N O -","- C184 H136 N8 O8 -","8","1","","Guo-Lin Gao; Yan-Ning Niu; Ze-Yi Yan; Hong-Li Wang; Gang-Wei Wang; Ali Shaukat; Yong-Min Liang","Unexpected Domino Reaction via Pd-Catalyzed Sonogashira Coupling of Benzimidoyl Chlorides with 1,6-Enynes and Cyclization To Synthesize Quinoline Derivatives","Journal of Organic Chemistry","2010","75","","1305","1308","10.1021/jo9026116","","","0.71073","MoKα","","0.0818","0.0422","","","0.1085","0.1286","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025246","25.8992","0.0011","10.2927","0.0005","18.4191","0.0009","90","","115.095","0.002","90","","4446.6","0.4","296","1","296","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H50 Cl2 O6 -","- C57 H52 Cl2 O6 -","- C228 H208 Cl8 O24 -","4","0.5","","Yunkui Liu; Jianqiang Qian; Shaojie Lou; Jie Zhu; Zhenyuan Xu","Gold(III)-Catalyzed Tandem Reaction of Ketones with Phenols: Efficient and Highly Selective Synthesis of Functionalized 4H-Chromenes","Journal of Organic Chemistry","2010","75","","1309","1312","10.1021/jo902619x","","","0.71073","MoKα","","0.0857","0.0599","","","0.1549","0.1725","","","","","","1.004","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025247","7.7022","0.0015","6.0157","0.0012","10.457","0.002","90","","98.48","0.03","90","","479.22","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cl2 N2 Pd -","- C4 H14 Cl2 N2 Pd -","- C8 H28 Cl4 N4 Pd2 -","2","0.5","","Yanxia Shen; Huanfeng Jiang; Zhengwang Chen","PdCl2(HNMe2)2-Catalyzed Highly Selective Cross [2 + 2 + 2] Cyclization of Alkynoates and Alkenes under Molecular Oxygen","Journal of Organic Chemistry","2010","75","","1321","1324","10.1021/jo902636g","","","0.71073","MoKα","","0.0335","0.0329","","","0.0922","0.0929","","","","","","1.161","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025248","13.62","0.003","19.411","0.004","8.0165","0.0016","90","","104.32","0.03","90","","2053.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O10 -","- C21 H18 O10 -","- C84 H72 O40 -","4","1","","Yanxia Shen; Huanfeng Jiang; Zhengwang Chen","PdCl2(HNMe2)2-Catalyzed Highly Selective Cross [2 + 2 + 2] Cyclization of Alkynoates and Alkenes under Molecular Oxygen","Journal of Organic Chemistry","2010","75","","1321","1324","10.1021/jo902636g","","","0.71073","MoKα","","0.0687","0.0407","","","0.1058","0.1343","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025249","9.9367","0.0009","16.582","0.0015","10.9892","0.001","90","","103.585","0.001","90","","1760","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,3,3-tetrakis(trifluoromethanesulfonyl)propane","","- C7 H4 F12 O8 S4 -","- C7 H4 F12 O8 S4 -","- C28 H16 F48 O32 S16 -","4","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0384","0.0284","","","0.0621","0.0666","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025250","6.2196","0.0016","10.038","0.003","10.899","0.003","73.247","0.002","85.069","0.003","89.251","0.003","649.1","0.3","90","","90","","","","","","","","","4","P -1","-P 1","2","","(R*)-3-bromo-5-((S*)-3-oxo-1-phenylbutyl)furan-2(5H)-one","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C28 H26 Br2 O6 -","2","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0383","0.037","","","0.1106","0.1117","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025251","6.2821","0.0012","15.603","0.003","14.722","0.003","90","","101.736","0.002","90","","1412.9","0.5","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(R*)-3-bromo-5-((S*)-1-cyclohexyl-3-oxobutyl)-5H-furan-2-one","","- C14 H19 Br O3 -","- C14 H19 Br O3 -","- C56 H76 Br4 O12 -","4","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0318","0.027","","","0.0707","0.0729","","","","","","1.051","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025252","9.477","0.003","10.226","0.003","17.617","0.005","90","","93.78","0.003","90","","1703.6","0.9","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(S*)-3-bromo-5-((R*)-1-cyclohexyl-4,4-dimethyl-3-oxopentyl)-5H-furan-2-one","","- C17 H25 Br O3 -","- C17 H25 Br O3 -","- C68 H100 Br4 O12 -","4","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.047","0.0362","","","0.0964","0.1023","","","","","","1.021","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025253","21.609","0.004","8.9577","0.0016","15.245","0.003","90","","90","","90","","2950.9","1","90","","90","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(R*)-3-bromo-5-((2S*,3S*)-5-oxo-2-phenylhexan-3-yl)-5H-furan-2-one","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C128 H136 Br8 O24 -","8","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0398","0.0303","","","0.0759","0.0811","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025254","20.354","0.006","10.517","0.003","7.131","0.002","90","","90","","90","","1526.5","0.8","90","","90","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(S*)-3-bromo-5-((R*)-1-cyclohexyl-3-oxobutyl)-5-methyl-5H-furan-2-one","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0306","0.0259","","","0.0625","0.0646","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025255","22.7516","0.0009","22.7516","0.0009","10.9962","0.0006","90","","90","","120","","4929.4","0.4","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C29 H37 N3 O11 S -","- C29 H35 N3 O10 S -","- C174 H210 N18 O60 S6 -","6","1","","Hai Ma; Kun Liu; Fa-Guang Zhang; Chuan-Le Zhu; Jing Nie; Jun-An Ma","Chiral Bifunctional Thiourea-Catalyzed Enantioselective Michael Addition of Ketones to Nitrodienes","Journal of Organic Chemistry","2010","75","","1402","1409","10.1021/jo901991v","","","0.7107","MoKα","","0.0692","0.0623","","","0.179","0.1839","","","","","","1.151","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025256","19.573","0.01","8.953","0.004","21.212","0.01","90","","116.452","0.005","90","","3328","3","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22.25 H35.5 Cl2.5 N3 O9.25 S -","- C22.255 H35.51 Cl2.51 N3 O9.25 S -","- C89.02 H142.04 Cl10.04 N12 O37 S4 -","4","2","","Hai Ma; Kun Liu; Fa-Guang Zhang; Chuan-Le Zhu; Jing Nie; Jun-An Ma","Chiral Bifunctional Thiourea-Catalyzed Enantioselective Michael Addition of Ketones to Nitrodienes","Journal of Organic Chemistry","2010","75","","1402","1409","10.1021/jo901991v","","","0.7107","MoKα","","0.0796","0.0686","","","0.1917","0.2051","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025257","5.552","0.0011","11.523","0.002","25.423","0.005","90","","90","","90","","1626.5","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N O3 -","- C18 H16 Br N O3 -","- C72 H64 Br4 N4 O12 -","4","1","","Hai Ma; Kun Liu; Fa-Guang Zhang; Chuan-Le Zhu; Jing Nie; Jun-An Ma","Chiral Bifunctional Thiourea-Catalyzed Enantioselective Michael Addition of Ketones to Nitrodienes","Journal of Organic Chemistry","2010","75","","1402","1409","10.1021/jo901991v","","","0.71073","MoKα","","0.0386","0.0305","","","0.0514","0.0537","","","","","","0.971","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025258","5.7989","0.0005","12.0265","0.001","9.054","0.0008","90","","107.068","0.009","90","","603.62","0.09","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N O4 -","- C11 H21 N O4 -","- C22 H42 N2 O8 -","2","1","","Wen-Hua Chiou; Gau-Hong Lin; Chih-Wei Liang","Facile Syntheses of Enantiopure 3-Hydroxypiperidine Derivatives and 3-Hydroxypipecolic Acids","Journal of Organic Chemistry","2010","75","","1748","1751","10.1021/jo902324h","","x-ray","0.71073","MoKα","","0.0762","0.0464","","","0.0593","0.063","","","","","","0.933","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025259","15.126","0.003","19.255","0.004","20.943","0.005","111.226","0.003","95.283","0.003","101.042","0.003","5493","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H111 Br1.84 Cl8.16 N13 Pd4 Zn -","- C96 H111 Br1.84 Cl8.16 N13 Pd4 Zn -","- C192 H222 Br3.68 Cl16.32 N26 Pd8 Zn2 -","2","1","","Bart M. J. M. Suijkerbuijk; Duncan M. Tooke; Martin Lutz; Anthony L. Spek; Leonardus W. Jenneskens; Gerard van Koten; Robertus J. M. Klein Gebbink","Synthesis of and Evidence for Electronic Communication within Heteromultimetallic Tetrakis(NCN-pincer metal)-(Metallo)porphyrin Hybrids","Journal of Organic Chemistry","2010","75","","1534","1549","10.1021/jo902402g","","","0.71073","MoKα","","0.0619","0.0408","","","0.115","0.123","","","","","","1.141","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025260","35.438","0.001","9.8494","0.001","29.2457","0.001","90","","126.113","0.001","90","","8246.6","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H80 Br4 N12 Ni -","- C68 H80 Br4 N12 Ni -","- C272 H320 Br16 N48 Ni4 -","4","0.5","","Bart M. J. M. Suijkerbuijk; Duncan M. Tooke; Martin Lutz; Anthony L. Spek; Leonardus W. Jenneskens; Gerard van Koten; Robertus J. M. Klein Gebbink","Synthesis of and Evidence for Electronic Communication within Heteromultimetallic Tetrakis(NCN-pincer metal)-(Metallo)porphyrin Hybrids","Journal of Organic Chemistry","2010","75","","1534","1549","10.1021/jo902402g","","","0.71073","MoKα","","0.1117","0.0647","","","0.1303","0.1463","","","","","","1.07","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025261","3.9416","0.0005","14.6497","0.0018","9.9791","0.0013","90","","97.043","0.002","90","","571.88","0.13","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","2,5-dibromo-3-β-styrylthiophene","","","- C12 H8 Br2 S -","- C12 H8 Br2 S -","- C24 H16 Br4 S2 -","2","1","","Sébastien Clément; Franck Meyer; Julien De Winter; Olivier Coulembier; Christophe M. L. Vande Velde; Matthias Zeller; Pascal Gerbaux; Jean-Yves Balandier; Sergey Sergeyev; Roberto Lazzaroni; Yves Geerts; Philippe Dubois","Synthesis and Supramolecular Organization of Regioregular Polythiophene Block Oligomers","Journal of Organic Chemistry","2010","75","","1561","1568","10.1021/jo902490m","","","0.71073","MoKα","","0.04","0.038","","","0.0896","0.0903","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025262","7.2777","0.0006","13.5284","0.0012","12.9108","0.0011","90","","94.535","0.001","90","","1267.16","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,5-dibromo-3-β-pentafluorostyrylthiophene","2,5-dibromo-3-β-pentafluorostyrylthiophene","","- C12 H3 Br2 F5 S -","- C12 H3 Br2 F5 S -","- C48 H12 Br8 F20 S4 -","4","1","","Sébastien Clément; Franck Meyer; Julien De Winter; Olivier Coulembier; Christophe M. L. Vande Velde; Matthias Zeller; Pascal Gerbaux; Jean-Yves Balandier; Sergey Sergeyev; Roberto Lazzaroni; Yves Geerts; Philippe Dubois","Synthesis and Supramolecular Organization of Regioregular Polythiophene Block Oligomers","Journal of Organic Chemistry","2010","75","","1561","1568","10.1021/jo902490m","","","0.71073","MoKα","","0.0403","0.0304","","","0.0664","0.0693","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025263","13.8315","0.001","11.1491","0.0008","17.5648","0.0012","90","","109.276","0.001","90","","2556.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dimer of 2","","","- C24 H6 Br4 F10 S2 -","- C24 H6 Br4 F10 S2 -","- C96 H24 Br16 F40 S8 -","4","1","","Sébastien Clément; Franck Meyer; Julien De Winter; Olivier Coulembier; Christophe M. L. Vande Velde; Matthias Zeller; Pascal Gerbaux; Jean-Yves Balandier; Sergey Sergeyev; Roberto Lazzaroni; Yves Geerts; Philippe Dubois","Synthesis and Supramolecular Organization of Regioregular Polythiophene Block Oligomers","Journal of Organic Chemistry","2010","75","","1561","1568","10.1021/jo902490m","","","0.71073","MoKα","","0.0458","0.031","","","0.0661","0.0711","","","","","","1.013","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025264","9.09","0.001","18.974","0.002","10.269","0.001","90","","104.97","0.01","90","","1711","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O2 S3 -","- C14 H18 N2 O2 S3 -","- C56 H72 N8 O8 S12 -","4","1","","Jean-Yves Balandier; Marcos Chas; Paul I. Dron; Sébastien Goeb; David Canevet; Ahmed Belyasmine; Magali Allain; Marc Sallé","N-Aryl Pyrrolo-tetrathiafulvalene Based Ligands: Synthesis and Metal Coordination","Journal of Organic Chemistry","2010","75","","1589","1599","10.1021/jo902529e","","x-ray","0.71073","MoKα","","","0.0362","","","","0.0919","","","","","","0.862","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025265","3.8595","0.0007","10.702","0.001","12.76","0.002","90","","98.03","0.02","90","","521.88","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H6 N2 S3 -","- C10 H6 N2 S3 -","- C20 H12 N4 S6 -","2","1","","Jean-Yves Balandier; Marcos Chas; Paul I. Dron; Sébastien Goeb; David Canevet; Ahmed Belyasmine; Magali Allain; Marc Sallé","N-Aryl Pyrrolo-tetrathiafulvalene Based Ligands: Synthesis and Metal Coordination","Journal of Organic Chemistry","2010","75","","1589","1599","10.1021/jo902529e","","x-ray","0.71073","MoKα","","","0.0332","","","","0.0811","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025266","7.732","0.0004","11.8887","0.0002","12.569","0.0004","90","","90.796","0.004","90","","1155.27","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 N2 S3 -","- C12 H6 N2 S3 -","- C48 H24 N8 S12 -","4","1","","Jean-Yves Balandier; Marcos Chas; Paul I. Dron; Sébastien Goeb; David Canevet; Ahmed Belyasmine; Magali Allain; Marc Sallé","N-Aryl Pyrrolo-tetrathiafulvalene Based Ligands: Synthesis and Metal Coordination","Journal of Organic Chemistry","2010","75","","1589","1599","10.1021/jo902529e","","x-ray","0.71073","MoKα","","","0.0561","","","","0.1262","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025267","3.9292","0.0003","9.9711","0.0008","30.306","0.002","90","","90","","90","","1187.34","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H6 Br N S3 -","- C11 H6 Br N S3 -","- C44 H24 Br4 N4 S12 -","4","1","","Jean-Yves Balandier; Marcos Chas; Paul I. Dron; Sébastien Goeb; David Canevet; Ahmed Belyasmine; Magali Allain; Marc Sallé","N-Aryl Pyrrolo-tetrathiafulvalene Based Ligands: Synthesis and Metal Coordination","Journal of Organic Chemistry","2010","75","","1589","1599","10.1021/jo902529e","","x-ray","0.71073","MoKα","","","0.0361","","","","0.0917","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025268","9.189","0.001","22.095","0.002","9.5997","0.0011","90","","116.149","0.001","90","","1749.6","0.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Yang Ye; Linfei Wang; Renhua Fan","Aqueous Iodine(III)-Mediated Stereoselective Oxidative Cyclization for the Synthesis of Functionalized Fused Dihydrofuran Derivatives","Journal of Organic Chemistry","2010","75","","1760","1763","10.1021/jo902553k","","","0.71073","MoKα","","0.037","0.0326","","","0.0812","0.0848","","","","","","1.052","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025269","6.3433","0.0008","12.8094","0.0016","14.2708","0.0018","90","","90","","90","","1159.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C44 H56 N8 O24 -","4","1","","Punit P. Seth; Guillermo Vasquez; Charles A. Allerson; Andres Berdeja; Hans Gaus; Garth A. Kinberger; Thazha P. Prakash; Michael T. Migawa; Balkrishen Bhat; Eric E. Swayze","Synthesis and Biophysical Evaluation of 2',4'-Constrained 2'O-Methoxyethyl and 2',4'-Constrained 2'O-Ethyl Nucleic Acid Analogues","Journal of Organic Chemistry","2010","75","","1569","1581","10.1021/jo902560f","","","0.71073","MoKα","","0.0503","0.0425","","","0.103","0.1078","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025270","10.497","0.002","18.213","0.004","21.191","0.006","90","","107.47","0.03","90","","3864.5","1.7","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H72 Cl6 F12 N2 O10 P2 -","- C70 H72 Cl6 F12 N2 O10 P2 -","- C140 H144 Cl12 F24 N4 O20 P4 -","2","0.5","","Yi Jiang; Jing Cao; Jian-Min Zhao; Jun-Feng Xiang; Chuan-Feng Chen","Synthesis of a Triptycene-Derived Bisparaphenylene-34-crown-10 and Its Complexation with Both Paraquat and Cyclobis(paraquat-p-phenylene)","Journal of Organic Chemistry","2010","75","","1767","1770","10.1021/jo902571n","","","0.71073","MoKα","","0.1457","0.1358","","","0.3211","0.3261","","","","","","1.105","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025271","18.56","0.004","27.852","0.006","19.693","0.004","90","","92.36","0.03","90","","10171","4","113","2","113","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H94 F24 N6 O10 P4 -","- C96 H94 F24 N6 O10 P4 -","- C384 H376 F96 N24 O40 P16 -","4","1","","Yi Jiang; Jing Cao; Jian-Min Zhao; Jun-Feng Xiang; Chuan-Feng Chen","Synthesis of a Triptycene-Derived Bisparaphenylene-34-crown-10 and Its Complexation with Both Paraquat and Cyclobis(paraquat-p-phenylene)","Journal of Organic Chemistry","2010","75","","1767","1770","10.1021/jo902571n","","","0.71073","MoKα","","0.0917","0.0851","","","0.2352","0.2465","","","","","","1.034","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025272","6.6244","0.0005","12.7823","0.0009","23.3387","0.0018","90","","90","","90","","1976.2","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Violeta Iosub; Anton R. Haberl; Jennifer Leung; Michael Tang; Kannan Vembaiyan; Masood Parvez; Thomas G. Back","Enantioselective Synthesis of α-Quaternary Amino Acid Derivatives by Sequential Enzymatic Desymmetrization and Curtius Rearrangement of α,α-Disubstituted Malonate Diesters","Journal of Organic Chemistry","2010","75","","1612","1619","10.1021/jo902584r","","","1.54178","CuKα","","0.1137","0.077","","","0.2141","0.2543","","","","","","1.024","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025273","11.5059","0.0004","18.5068","0.0006","22.2217","0.0006","90","","90","","90","","4731.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O3 -","- C25 H34 N2 O3 -","- C200 H272 N16 O24 -","8","2","","Violeta Iosub; Anton R. Haberl; Jennifer Leung; Michael Tang; Kannan Vembaiyan; Masood Parvez; Thomas G. Back","Enantioselective Synthesis of α-Quaternary Amino Acid Derivatives by Sequential Enzymatic Desymmetrization and Curtius Rearrangement of α,α-Disubstituted Malonate Diesters","Journal of Organic Chemistry","2010","75","","1612","1619","10.1021/jo902584r","","","1.54178","CuKα","","0.0711","0.0446","","","0.0986","0.1141","","","","","","1.019","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025274","9.2509","0.0001","10.0044","0.0001","11.236","0.0002","76.1128","0.0005","80.0207","0.0005","78.4123","0.0005","980.33","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Rachel Scheffelaar; Monica Paravidino; Anass Znabet; Rob F. Schmitz; Frans J. J. de Kanter; Martin Lutz; Anthony L. Spek; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Marinus B. Groen; Eelco Ruijter; Romano V. A. Orru","Scope and Limitations of an Efficient Four-Component Reaction for Dihydropyridin-2-ones","Journal of Organic Chemistry","2010","75","","1723","1732","10.1021/jo902613j","","","0.71073","MoKα","","0.0593","0.0383","","","0.0918","0.1024","","","","","","1.083","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025275","7.407","0.002","8.4","0.002","13.789","0.004","81.428","0.004","82.824","0.004","86.874","0.004","841.1","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H13 O3 S -","- C23 H13 O3 S -","- C46 H26 O6 S2 -","2","1","","Saurabh Mehta; Richard C. Larock","Iodine/Palladium Approaches to the Synthesis of Polyheterocyclic Compounds","Journal of Organic Chemistry","2010","75","","1652","1658","10.1021/jo902639f","","","0.71073","MoKα","","0.0926","0.0696","","","0.1684","0.1854","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025276","13.378","0.0015","11.9434","0.0014","15.3988","0.0018","90","","91.457","0.002","90","","2459.6","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H23 O S -","- C36 H23 O S -","- C144 H92 O4 S4 -","4","1","","Saurabh Mehta; Richard C. Larock","Iodine/Palladium Approaches to the Synthesis of Polyheterocyclic Compounds","Journal of Organic Chemistry","2010","75","","1652","1658","10.1021/jo902639f","","","0.71073","MoKα","","0.0649","0.0473","","","0.1228","0.1376","","","","","","1.043","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025277","10.1505","0.0008","12.6042","0.0009","16.4879","0.0012","88.48","0.004","82.802","0.004","69.955","0.004","1965.7","0.3","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H53 N5 O2 -","- C49 H53 N5 O2 -","- C98 H106 N10 O4 -","2","1","","Marcin Ptaszek; Dorothée Lahaye; Michael Krayer; Chinnasamy Muthiah; Jonathan S. Lindsey","De Novo Synthesis of Long-Wavelength Absorbing Chlorin-13,15-dicarboximides","Journal of Organic Chemistry","2010","75","","1659","1673","10.1021/jo902649d","","","0.71073","MoKα","","0.1248","0.0678","","","0.1813","0.2366","","","","","","1.043","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025278","7.8909","0.0002","13.6655","0.0004","14.8001","0.0004","110.83","0.0013","98.1694","0.0013","94.436","0.0013","1462.32","0.07","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H32.9754 N5 O2 Pd0.0123 -","- C39 H32.9754 N5 O2 Pd0.0123 -","- C78 H65.9508 N10 O4 Pd0.0246 -","2","1","","Marcin Ptaszek; Dorothée Lahaye; Michael Krayer; Chinnasamy Muthiah; Jonathan S. Lindsey","De Novo Synthesis of Long-Wavelength Absorbing Chlorin-13,15-dicarboximides","Journal of Organic Chemistry","2010","75","","1659","1673","10.1021/jo902649d","","","0.71073","MoKα","","0.0973","0.0612","","","0.1653","0.1863","","","","","","1.061","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025279","11.6918","0.0003","12.5912","0.0006","13.593","0.0003","100.001","0.002","114.651","0.001","99.178","0.002","1729.89","0.11","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H39 N5 O3 Zn -","- C43 H39 N5 O3 Zn -","- C86 H78 N10 O6 Zn2 -","2","1","","Marcin Ptaszek; Dorothée Lahaye; Michael Krayer; Chinnasamy Muthiah; Jonathan S. Lindsey","De Novo Synthesis of Long-Wavelength Absorbing Chlorin-13,15-dicarboximides","Journal of Organic Chemistry","2010","75","","1659","1673","10.1021/jo902649d","","","0.71073","MoKα","","0.08","0.0472","","","0.1239","0.14","","","","","","1.037","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025280","15.334","0.003","15.813","0.003","16.34","0.003","110.305","0.003","95.406","0.003","105.033","0.003","3513.7","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N8 O12 S4 -","- C72 H81 N8 O12 S4 -","- C144 H162 N16 O24 S8 -","2","1","","Evan R. Trivedi; Sangwan Lee; Hong Zong; Carl M. Blumenfeld; Anthony G. M. Barrett; Brian M. Hoffman","Synthesis of Heteroatom Substituted Naphthoporphyrazine Derivatives with Near-Infrared Absorption and Emission","Journal of Organic Chemistry","2010","75","","1799","1802","10.1021/jo9026947","","","0.71073","MoKα","","0.1585","0.0866","","","0.2163","0.2577","","","","","","0.96","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025281","12.7104","0.0015","13.594","0.002","13.826","0.002","95.815","0.002","110.995","0.003","97.873","0.003","2179.9","0.5","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H40 Cl4 Ir N O4 P2 -","- C47 H38 Cl2 Ir N O4 P2 -","- C94 H76 Cl4 Ir2 N2 O8 P4 -","2","1","","Benjamin Bechem; Ryan L. Patman; A. Stephen K. Hashmi; Michael J. Krische","Enantioselective Carbonyl Allylation, Crotylation, and tert-Prenylation of Furan Methanols and Furfurals via Iridium-Catalyzed Transfer Hydrogenation","Journal of Organic Chemistry","2010","75","","1795","1798","10.1021/jo902697g","","","0.7107","MoKα","","0.0321","0.0282","","","0.0707","0.0734","","","","","","1.045","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025282","17.273","0.002","11.4009","0.0015","17.635","0.002","90","","110.978","0.003","90","","3242.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N5 Ni O7 -","- C36 H27 N5 Ni O7 -","- C144 H108 N20 Ni4 O28 -","4","1","","Daizong Lin; Guanghui Deng; Jiang Wang; Xiao Ding; Hualiang Jiang; Hong Liu","Efficient Synthesis of Symmetrical α,α-Disubstituted β-Amino Acids and α,α-Disubstituted Aldehydes via Dialkylation of Nucleophilic β-Alanine Equivalent","Journal of Organic Chemistry","2010","75","","1717","1722","10.1021/jo902699t","","","0.71073","MoKα","","0.1136","0.0559","","","0.102","0.1167","","","","","","0.786","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025283","7.8207","0.0006","8.7546","0.0006","31.827","0.003","90","","90","","90","","2179.1","0.3","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N3 O7 S -","- C18 H27 N3 O7 S -","- C72 H108 N12 O28 S4 -","4","1","","Tetsuya Tanino; Satoshi Ichikawa; Motoo Shiro; Akira Matsuda","Total Synthesis of (-)-Muraymycin D2 and Its Epimer","Journal of Organic Chemistry","2010","75","","1366","1377","10.1021/jo9027193","","","1.54187","CuKα","","","0.089","","","","0.2192","","","","","","1.378","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025284","4.99559","0.00009","13.2866","0.0002","32.0069","0.0007","90","","90","","90","","2124.44","0.07","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O7 S -","- C21 H25 N3 O7 S -","- C84 H100 N12 O28 S4 -","4","1","","Tetsuya Tanino; Satoshi Ichikawa; Motoo Shiro; Akira Matsuda","Total Synthesis of (-)-Muraymycin D2 and Its Epimer","Journal of Organic Chemistry","2010","75","","1366","1377","10.1021/jo9027193","","","1.54187","CuKα","","","0.0578","","","","0.1642","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025285","16.61","0.019","16.61","0.008","37.237","0.011","90","","90","","120","","8897","11","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C185.99 H230.96 N12 O27 -","- C185.988 H230.958 N11.997 O27 -","- C371.976 H461.916 N23.994 O54 -","2","0.111111","","Pascal Dimitrov Raytchev; Olivier Perraud; Christophe Aronica; Alexandre Martinez; Jean-Pierre Dutasta","A New Class of C3-Symmetrical Hemicryptophane Hosts: Triamide- and Tren-hemicryptophanes","Journal of Organic Chemistry","2010","75","","2099","2102","10.1021/jo100052r","","","0.71073","MoKα","","0.1882","0.139","","0.2369","0.161","0.1706","","","","","","1.1275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025286","10.997","0.005","18.282","0.005","28.996","0.005","90","","95.32","0.005","90","","5804","3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H59 Cl2 N4 O12 -","- C58 H59 Cl2 N4 O12 -","- C232 H236 Cl8 N16 O48 -","4","1","","Pascal Dimitrov Raytchev; Olivier Perraud; Christophe Aronica; Alexandre Martinez; Jean-Pierre Dutasta","A New Class of C3-Symmetrical Hemicryptophane Hosts: Triamide- and Tren-hemicryptophanes","Journal of Organic Chemistry","2010","75","","2099","2102","10.1021/jo100052r","","","0.71069","MoKα","","0.2179","0.1359","","0.2289","0.1439","0.1439","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025287","10.8919","0.0009","12.7666","0.001","17.0269","0.0014","68.336","0.001","73.174","0.001","67.157","0.001","1998.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 B2 F4 N4 S -","- C46 H50 B2 F4 N4 S -","- C92 H100 B4 F8 N8 S2 -","2","1","","Andrew C. Benniston; Graeme Copley; Anthony Harriman; David Howgego; Ross W. Harrington; William Clegg","Cofacial Boron Dipyrromethene (Bodipy) Dimers: Synthesis, Charge Delocalization, and Exciton Coupling","Journal of Organic Chemistry","2010","75","","2018","2027","10.1021/jo1000803","","","0.7749","synchrotron","","0.0782","0.0613","","","0.169","0.182","","","","","","1.046","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025288","11.2976","0.0007","11.6097","0.0006","20.8444","0.0011","97.082","0.004","93.827","0.005","118.721","0.006","2354.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H54 B2 Cl4 F4 N4 O -","- C48 H54 B2 Cl4 F4 N4 O -","- C96 H108 B4 Cl8 F8 N8 O2 -","2","1","","Andrew C. Benniston; Graeme Copley; Anthony Harriman; David Howgego; Ross W. Harrington; William Clegg","Cofacial Boron Dipyrromethene (Bodipy) Dimers: Synthesis, Charge Delocalization, and Exciton Coupling","Journal of Organic Chemistry","2010","75","","2018","2027","10.1021/jo1000803","","","0.71073","MoKα","","0.1188","0.0439","","","0.0752","0.0851","","","","","","0.821","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025289","19.9729","0.0017","12.0402","0.001","19.9123","0.0017","90","","117.396","0.001","90","","4251.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H56 B2 F4 N4 O -","- C49 H56 B2 F4 N4 O -","- C196 H224 B8 F16 N16 O4 -","4","0.5","","Andrew C. Benniston; Graeme Copley; Anthony Harriman; David Howgego; Ross W. Harrington; William Clegg","Cofacial Boron Dipyrromethene (Bodipy) Dimers: Synthesis, Charge Delocalization, and Exciton Coupling","Journal of Organic Chemistry","2010","75","","2018","2027","10.1021/jo1000803","","","0.7749","synchrotron","","0.0678","0.0442","","","0.113","0.1271","","","","","","1.018","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025290","8.3863","0.0005","13.1607","0.0008","14.4654","0.0009","90","","90","","90","","1596.54","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Br2 O2 -","- C18 H12 Br2 O2 -","- C72 H48 Br8 O8 -","4","1","","Hu Cui; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Synthesis of a Basket-Shaped C56H38 Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes","Journal of Organic Chemistry","2010","75","","2050","2056","10.1021/jo100132v","","","0.71073","MoKα","","0.0433","0.0351","","","0.0891","0.0938","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025291","8.6427","0.0009","8.8279","0.0009","10.4921","0.001","82.672","0.002","88.813","0.002","82.695","0.002","787.52","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Br2 O2 -","- C18 H12 Br2 O2 -","- C36 H24 Br4 O4 -","2","1","","Hu Cui; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Synthesis of a Basket-Shaped C56H38 Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes","Journal of Organic Chemistry","2010","75","","2050","2056","10.1021/jo100132v","","","0.71073","MoKα","","0.0647","0.0531","","","0.1482","0.1545","","","","","","1","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025292","10.4907","0.0009","16.4745","0.0014","9.5305","0.0008","90","","92.99","0.002","90","","1644.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 O4 -","- C22 H14 O4 -","- C88 H56 O16 -","4","1","","Hu Cui; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Synthesis of a Basket-Shaped C56H38 Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes","Journal of Organic Chemistry","2010","75","","2050","2056","10.1021/jo100132v","","","0.71073","MoKα","","0.0584","0.0503","","","0.1372","0.1477","","","","","","1.022","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025293","8.2648","0.0009","9.2931","0.001","14.3522","0.0015","75.654","0.002","80.148","0.002","67.897","0.002","985.74","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H18 O4 -","- C26 H18 O4 -","- C52 H36 O8 -","2","1","","Hu Cui; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Synthesis of a Basket-Shaped C56H38 Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes","Journal of Organic Chemistry","2010","75","","2050","2056","10.1021/jo100132v","","","0.71073","MoKα","","0.0585","0.0513","","","0.1431","0.1521","","","","","","1.052","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025294","12.3579","0.0009","13.0133","0.0011","13.2737","0.0011","90","","91.372","0.001","90","","2134","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Br2 O2 -","- C26 H16 Br2 O2 -","- C104 H64 Br8 O8 -","4","1","","Hu Cui; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Synthesis of a Basket-Shaped C56H38 Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes","Journal of Organic Chemistry","2010","75","","2050","2056","10.1021/jo100132v","","","0.71073","MoKα","","0.0872","0.054","","","0.1383","0.1586","","","","","","1.022","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025295","11.6684","0.0005","7.4095","0.0003","11.9159","0.0005","90","","94.888","0.002","90","","1026.47","0.07","100","2","100","2","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C46 H56 N4 O8 -","2","1","","John T. Markiewicz; Douglas J. Schauer; Joakim Löfstedt; Steven J. Corden; Olaf Wiest; Paul Helquist","Synthesis of 4-Methyldienoates Using a Vinylogous Horner-Wadsworth-Emmons Reagent. Application to the Synthesis of Trichostatic Acid","Journal of Organic Chemistry","2010","75","","2061","2064","10.1021/jo902422y","","x-ray","1.54178","CuKα","","0.0245","0.0244","","","0.0662","0.0663","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025296","10.676","0.001","7.2285","0.0007","20.9474","0.0019","90","","94.57","0.003","90","","1611.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl N4 O4 -","- C17 H13 Cl N4 O4 -","- C68 H52 Cl4 N16 O16 -","4","1","","Mominul Sinan; Kumaresh Ghosh; Sreebrata Goswami","One-Pot Synthesis of Linearly Fused N-Heterocyles from Their Angular Analogues and Studies of Their Redox and Electrochromic Properties","Journal of Organic Chemistry","2010","75","","2065","2068","10.1021/jo902432w","","","0.71073","MoKα","","0.0574","0.0369","","","0.0812","0.0927","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025297","6.8173","0.0012","6.7934","0.0012","27.684","0.005","90","","93.392","0.005","90","","1279.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N4 -","- C17 H12 N4 -","- C68 H48 N16 -","4","1","","Mominul Sinan; Kumaresh Ghosh; Sreebrata Goswami","One-Pot Synthesis of Linearly Fused N-Heterocyles from Their Angular Analogues and Studies of Their Redox and Electrochromic Properties","Journal of Organic Chemistry","2010","75","","2065","2068","10.1021/jo902432w","","","0.71073","MoKα","","0.1024","0.0569","","","0.16","0.2137","","","","","","0.79","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025298","6.882","0.004","7.4","0.004","14.123","0.008","98.66","0.017","93.716","0.016","93.664","0.016","707.6","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","1","","Mominul Sinan; Kumaresh Ghosh; Sreebrata Goswami","One-Pot Synthesis of Linearly Fused N-Heterocyles from Their Angular Analogues and Studies of Their Redox and Electrochromic Properties","Journal of Organic Chemistry","2010","75","","2065","2068","10.1021/jo902432w","","","0.71073","MoKα","","0.1633","0.1183","","","0.397","0.4058","","","","","","2.377","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025299","15.507","0.001","7.4079","0.0005","16.512","0.001","90","","116.728","0.002","90","","1694.13","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3-cyano-3a-tert-butyl-2-methoxy-3aH-furo[2,3-b] indole-8(8aH)-carboxylate.","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","0.71073","MoKα","","0.0825","0.043","","","0.0978","0.1109","","","","","","0.887","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025300","9.5591","0.0004","19.9752","0.0007","10.3978","0.0004","90","","111.248","0.001","90","","1850.44","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1a-Benzyl-1-cyano-1a,6a-dihydro-1H-6-aza-cyclopropa [alpha]indene-1,6-dicarboxylic acid dimethyl ester.","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","0.71073","MoKα","","0.0748","0.0428","","","0.1082","0.1196","","","","","","0.931","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025301","12.598","0.003","10.033","0.001","14.267","0.002","90","","113.13","0.02","90","","1658.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Methyl 3-cyano-8b-isopropyl-2-methoxy-3aH-furo[3,2-b] indole-4(8bH)-carboxylate.","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","1.54184","CuKα","","0.0421","0.0374","","","0.0974","0.0994","","","","","","1.043","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025302","12.831","0.002","10.528","0.002","14.23","0.002","90","","115.7","0.01","90","","1732.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Methyl 3-cyano-8b-tert-butyl-2-methoxy-3aH-furo[3,2-b] indole-4(8bH)-carboxylate.","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","1.54184","CuKα","","0.0433","0.0403","","","0.1112","0.1129","","","","","","1.107","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025303","9.8414","0.0018","12.934","0.002","13.726","0.003","83.15","0.005","69.107","0.004","69.459","0.003","1528.5","0.5","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H17 I -","- C18 H17 I -","- C72 H68 I4 -","4","2","","Frances A. Murphy; Sylvia M. Draper","Superaromatic Terpyridines: Hexa-peri-hexabenzocoronenes with Tridentate Functionality","Journal of Organic Chemistry","2010","75","","1862","1870","10.1021/jo902526u","","","0.71073","MoKα","","0.0519","0.0391","","","0.096","0.1026","","","","","","1.042","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025304","30.2468","0.0019","18.3785","0.0011","17.2888","0.0011","90","","96.041","0.001","90","","9557.3","1","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C H I -","- C2.72527 H2.50549 I0.043956 -","- C496 H456 I8 -","182","22.75","","Frances A. Murphy; Sylvia M. Draper","Superaromatic Terpyridines: Hexa-peri-hexabenzocoronenes with Tridentate Functionality","Journal of Organic Chemistry","2010","75","","1862","1870","10.1021/jo902526u","","","0.71073","MoKα","","0.1027","0.0749","","","0.198","0.2202","","","","","","1.044","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025305","26.0068","0.0013","9.6177","0.0005","19.2164","0.001","90","","122.693","0.003","90","","4045.1","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C184 H224 O40 -","8","1","","Etienne Nadeau; Dominic L. Ventura; Jonathan A. Brekan; Huw M. L. Davies","Controlling Factors for C-H Functionalization versus Cyclopropanation of Dihydronaphthalenes","Journal of Organic Chemistry","2010","75","","1927","1939","10.1021/jo902644f","","","1.54178","CuKα","","0.1037","0.0573","","","0.1887","0.2632","","","","","","1.016","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025306","11.3659","0.0005","8.253","0.0004","24.6381","0.001","90","","96.389","0.003","90","","2296.77","0.18","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 O3 Si -","- C23 H34 O3 Si -","- C92 H136 O12 Si4 -","4","2","","Etienne Nadeau; Dominic L. Ventura; Jonathan A. Brekan; Huw M. L. Davies","Controlling Factors for C-H Functionalization versus Cyclopropanation of Dihydronaphthalenes","Journal of Organic Chemistry","2010","75","","1927","1939","10.1021/jo902644f","","","1.54178","CuKα","","0.0667","0.0514","","","0.1283","0.1458","","","","","","1.109","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025307","10.508","0.0004","10.2087","0.0004","16.4276","0.0007","90","","103.5","0.001","90","","1713.55","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-Thioniatelluroniabicyclo[3.3.0]octane bis(trifluoromethanesulfonate)","","- C8 H12 F6 O6 S3 Te -","- C8 H12 F6 O6 S3 Te -","- C32 H48 F24 O24 S12 Te4 -","4","1","","Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass","Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species","Journal of Organic Chemistry","2010","75","","1997","2009","10.1021/jo9026484","","","0.71073","MoKα","","0.0385","0.0326","","","0.0836","0.0882","","","","","","1.044","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025308","12.5471","0.0007","12.9889","0.0007","14.0208","0.0007","104.893","0.001","93.183","0.001","93.943","0.001","2196.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","1,1'-Bis-5-thio-1-selenocanium Bis(B-hydroxy-tris[pentafluorophenyl)boron","","- C84 H30 B4 F60 O4 S2 Se2 -","- C84 H30 B4 F60 O4 S2 Se2 -","- C84 H30 B4 F60 O4 S2 Se2 -","1","0.5","","Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass","Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species","Journal of Organic Chemistry","2010","75","","1997","2009","10.1021/jo9026484","","","0.71073","MoKα","","0.0621","0.0458","","","0.1175","0.1271","","","","","","1.044","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025309","12.5426","0.0006","20.8109","0.0009","9.6271","0.0004","90","","95.71","0.001","90","","2500.42","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5-Thiatellurocane 5-Oxytris(pentafluorophenyl)boron","","- C24 H12 B F15 O S Te -","- C24 H12 B F15 O S Te -","- C96 H48 B4 F60 O4 S4 Te4 -","4","1","","Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass","Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species","Journal of Organic Chemistry","2010","75","","1997","2009","10.1021/jo9026484","","","0.71073","MoKα","","0.0563","0.0379","","","0.0842","0.092","","","","","","1.042","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025310","9.5331","0.0008","9.0124","0.0008","13.0975","0.0011","90","","109.492","0.001","90","","1060.79","0.16","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","5,5'-Oxy-bis(5-thiatellurocane) Bis(tetrafluoroborate","","- C12 H24 B2 F8 O S2 Te2 -","- C12 H24 B2 F8 O S2 Te2 -","- C24 H48 B4 F16 O2 S4 Te4 -","2","1","","Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass","Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species","Journal of Organic Chemistry","2010","75","","1997","2009","10.1021/jo9026484","","","0.71073","MoKα","","0.0453","0.0338","","","0.0793","0.0849","","","","","","1.032","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025311","9.1456","0.0003","23.7838","0.0008","18.5154","0.0006","90","","97.523","0.002","90","","3992.8","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H46 Cl2 N6 O7 -","- C41.985 H46 Cl2 N5.9975 O6.9975 -","- C167.94 H184 Cl8 N23.99 O27.99 -","4","2","","Xiaohu Deng; Jimmy T. Liang; Matthew Peterson; Raymond Rynberg; Eugene Cheung; Neelakandha S. Mani","Practical Synthesis of a Cathepsin S Inhibitor: Route Identification, Purification Strategies, and Serendipitous Discovery of a Crystalline Salt Form","Journal of Organic Chemistry","2010","75","","1940","1947","10.1021/jo902650b","","","0.71073","MoKα","","0.0883","0.0495","","","0.1027","0.1189","","","","","","1.009","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025312","9.4417","0.0007","11.5112","0.0009","25.0215","0.0018","90","","95.222","0.001","90","","2708.2","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3aS,4R,7aS)-4-(4-chlorobenzyl)-octahydro-1,5-ditosyl-1H-pyrrolo[3,2-c]Pyridine","","- C28 H31 Cl N2 O4 S2 -","- C28 H31 Cl N2 O4 S2 -","- C112 H124 Cl4 N8 O16 S8 -","4","1","","Jillu S. Yadav; Prashant Borkar; P. Pawan Chakravarthy; Basi V. Subba Reddy; Akella V. S. Sarma; Shaik Jeelani Basha; Balasubramanian Sridhar; René Grée","Versatile Intramolecular Aza-Prins and Prins Cyclization of Aryl Epoxides: A Facile Synthesis of Diaza-, Oxa-aza-, and Dioxa-bicycles","Journal of Organic Chemistry","2010","75","","2081","2084","10.1021/jo902683p","","","0.71073","MoKα","","0.0775","0.0639","","","0.1367","0.1438","","","","","","1.179","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025313","12.9105","0.0013","8.1976","0.0008","18.659","0.0019","90","","94.547","0.002","90","","1968.6","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3aR,4S,7aS)-4-benzyl-octahydro-1-tosylpyrano[4,3-b]pyrrole","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C84 H100 N4 O12 S4 -","4","1","","Jillu S. Yadav; Prashant Borkar; P. Pawan Chakravarthy; Basi V. Subba Reddy; Akella V. S. Sarma; Shaik Jeelani Basha; Balasubramanian Sridhar; René Grée","Versatile Intramolecular Aza-Prins and Prins Cyclization of Aryl Epoxides: A Facile Synthesis of Diaza-, Oxa-aza-, and Dioxa-bicycles","Journal of Organic Chemistry","2010","75","","2081","2084","10.1021/jo902683p","","","0.71073","MoKα","","0.0693","0.0567","","","0.1286","0.136","","","","","","1.116","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025314","9.6625","0.0009","12.8591","0.0012","19.5254","0.0019","90","","90","","90","","2426.1","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3aS,4S,7aS)-4-benzhydryl-octahydro-1-tosylpyrano[4,3-b]pyrrole","","- C27 H29 N O3 S -","- C27 H29 N O3 S -","- C108 H116 N4 O12 S4 -","4","1","","Jillu S. Yadav; Prashant Borkar; P. Pawan Chakravarthy; Basi V. Subba Reddy; Akella V. S. Sarma; Shaik Jeelani Basha; Balasubramanian Sridhar; René Grée","Versatile Intramolecular Aza-Prins and Prins Cyclization of Aryl Epoxides: A Facile Synthesis of Diaza-, Oxa-aza-, and Dioxa-bicycles","Journal of Organic Chemistry","2010","75","","2081","2084","10.1021/jo902683p","","","0.71073","MoKα","","0.0327","0.031","","","0.079","0.0803","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025315","9.61","0.0019","11.493","0.002","12.112","0.002","90","","90","","90","","1337.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 Br2 Cl N2 O3 -","- C10 H9 Br2 Cl N2 O3 -","- C40 H36 Br8 Cl4 N8 O12 -","4","1","","Zhan-Guo Chen; Yun Wang; Jun-Fa Wei; Peng-Fei Zhao; Xian-Ying Shi","K3PO4-Catalyzed Regiospecific Aminobromination of β-Nitrostyrene Derivatives with N-Bromoacetamide as Aminobrominating Agent","Journal of Organic Chemistry","2010","75","","2085","2088","10.1021/jo9026879","","","0.71073","MoKα","","0.0623","0.0476","","","0.1069","0.1146","","","","","","1.004","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025316","8.77","0.006","10.038","0.004","10.81","0.005","107.39","0.04","102.58","0.07","108.01","0.04","811.6","0.9","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C40 H36 N8 -","2","1","","Julien Debray; Jean-Marc Lévêque; Christian Philouze; Micheline Draye; Martine Demeunynck","Swift and Efficient Synthesis of 4-Phenylquinazolines: Involvement of N-Heterocyclic Carbene in the Key Cyclization Step","Journal of Organic Chemistry","2010","75","","2092","2095","10.1021/jo902726k","","","1.54178","CuKα","","0.0649","0.0649","","0.0775","","0.0775","","","1.988","","","1.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025317","23.1476","0.0016","11.033","0.0008","16.6135","0.0011","90","","132.345","0.001","90","","3135.9","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C160 H120 N8 O24 -","8","1","","Malleswara Rao Kuram; M. Bhanuchandra; Akhila K. Sahoo","Gold-Catalyzed Intermolecular Hydrophenoxylation of Unactivated Internal Alkynes","Journal of Organic Chemistry","2010","75","","2247","2258","10.1021/jo1000143","","","0.71073","MoKα","","0.0829","0.0798","","","0.1912","0.1932","","","","","","1.087","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025318","7.7422","0.0008","14.6183","0.0015","10.9539","0.0011","90","","94.865","0.002","90","","1235.3","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 O2 -","- C34 H26 O2 -","- C68 H52 O4 -","2","0.5","","Malleswara Rao Kuram; M. Bhanuchandra; Akhila K. Sahoo","Gold-Catalyzed Intermolecular Hydrophenoxylation of Unactivated Internal Alkynes","Journal of Organic Chemistry","2010","75","","2247","2258","10.1021/jo1000143","","","0.71073","MoKα","","0.05","0.0366","","","0.087","0.094","","","","","","1.036","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025319","6.7521","0.0005","12.0682","0.0009","15.8151","0.0012","109.098","0.001","93.688","0.001","98.311","0.001","1196.37","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N6 O8 S2 -","- C21 H24 N6 O8 S2 -","- C42 H48 N12 O16 S4 -","2","1","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0355","0.0343","","","0.084","0.0848","","","","","","1.112","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025320","11.4049","0.0018","11.4366","0.0018","12.666","0.002","82.769","0.003","79.205","0.003","68.923","0.002","1511.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 F6 N5 O8 S2 -","- C29 H23 F6 N5 O8 S2 -","- C58 H46 F12 N10 O16 S4 -","2","1","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0817","0.062","","","0.13","0.1385","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025321","21.817","0.003","12.9748","0.0019","6.8192","0.001","90","","102.865","0.002","90","","1881.9","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cl2 N5 O2 -","- C19 H19 Cl2 N5 O2 -","- C76 H76 Cl8 N20 O8 -","4","0.5","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0596","0.0555","","","0.124","0.1262","","","","","","1.151","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025322","28.202","0.004","8.1643","0.0012","22.883","0.003","90","","106.889","0.002","90","","5041.6","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F6 N5 O8 S2 -","- C21 H19 F6 N5 O8 S2 -","- C168 H152 F48 N40 O64 S16 -","8","2","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0628","0.055","","","0.1167","0.1225","","","","","","1.166","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025323","24.893","0.004","14.421","0.002","22.112","0.004","90","","117.025","0.003","90","","7071","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H57 Cl2 F12 N15 O18 S4 -","- C61 H57 Cl2 F12 N15 O18 S4 -","- C244 H228 Cl8 F48 N60 O72 S16 -","4","0.5","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0854","0.0583","","","0.1176","0.1284","","","","","","1.06","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025324","9.1575","0.0011","11.8255","0.0014","12.5133","0.0015","72.991","0.002","81.722","0.002","87.471","0.002","1282.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 F6 N5 O8 S2 -","- C21 H19 F6 N5 O8 S2 -","- C42 H38 F12 N10 O16 S4 -","2","1","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0441","0.0406","","","0.0982","0.1007","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025325","7.4711","0.0008","11.0507","0.0012","14.3526","0.0015","104.137","0.002","98.819","0.002","94.323","0.002","1127.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 Br2 N5 O5 -","- C19 H25 Br2 N5 O5 -","- C38 H50 Br4 N10 O10 -","2","1","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0391","0.0361","","","0.0908","0.0957","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025326","24.66","0.007","5.928","0.004","23.352","0.007","90","","107.314","0.004","90","","3259","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 N -","- C24 H17 N -","- C192 H136 N8 -","8","1","","Donald C. Rogness; Richard C. Larock","Synthesis of Acridines by the [4 + 2] Annulation of Arynes and 2-Aminoaryl Ketones","Journal of Organic Chemistry","2010","75","","2289","2295","10.1021/jo1000687","","","0.71073","MoKα","","0.0742","0.0449","","","0.1116","0.1366","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025327","9.2","0.0013","10.9423","0.0015","14.273","0.002","74.723","0.002","83.403","0.002","88.871","0.003","1376.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 O6 S -","- C31 H30 N2 O6 S -","- C62 H60 N4 O12 S2 -","2","1","","Lei Wu; Min Shi","1,3-Dipolar Cycloaddition Reactions of Vinylidenecyclopropane-Diesters with Aromatic Diazomethanes Generated in Situ","Journal of Organic Chemistry","2010","75","","2296","2301","10.1021/jo100105k","","","0.71073","MoKα","","0.0962","0.0683","","","0.1912","0.2088","","","","","","0.995","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025328","14.3283","0.0018","14.767","0.0019","16.951","0.002","83.159","0.003","68.258","0.003","74.333","0.003","3206.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H29 Cl N2 O6 S -","- C35 H29 Cl N2 O6 S -","- C140 H116 Cl4 N8 O24 S4 -","4","2","","Lei Wu; Min Shi","1,3-Dipolar Cycloaddition Reactions of Vinylidenecyclopropane-Diesters with Aromatic Diazomethanes Generated in Situ","Journal of Organic Chemistry","2010","75","","2296","2301","10.1021/jo100105k","","","0.71073","MoKα","","0.1893","0.066","","","0.1459","0.2026","","","","","","0.823","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025329","17.463","0.003","18.85","0.004","3.9169","0.001","90","","90","","90","","1289.4","0.5","150","","150","","","","","","","","","3","P n n 2","P 2 -2n","34","","13-methylpurino[8,9-f]phenanthridine","","- C18 H12 N4 -","- C18 H12 N4 -","- C72 H48 N16 -","4","1","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Intramolecular Direct C-H Arylation Approach to Fused Purines. Synthesis of Purino[8,9-f]phenanthridines and 5,6-Dihydropurino[8,9-a]isoquinolines","Journal of Organic Chemistry","2010","75","7","2302","2308","10.1021/jo100111t","","x-ray","1.54184","CuKα","","0.08","0.0529","","0.0818","0.066","0.0685","","","","","","1.0897","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025330","15.3485","0.0011","9.7269","0.0004","18.4269","0.0013","90","","119.133","0.009","90","","2403","0.3","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-bis(6-methyl-9-phenyl-9H-purin-8-yl)benzene","","- C30 H22 N8 -","- C30 H22 N8 -","- C120 H88 N32 -","4","0.5","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Intramolecular Direct C-H Arylation Approach to Fused Purines. Synthesis of Purino[8,9-f]phenanthridines and 5,6-Dihydropurino[8,9-a]isoquinolines","Journal of Organic Chemistry","2010","75","7","2302","2308","10.1021/jo100111t","","x-ray","1.54184","CuKα","","0.0587","0.0482","","0.0642","0.0558","0.0558","","","","","","1.0986","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025331","7.3513","0.0006","10.8273","0.001","13.934","0.001","103.269","0.007","93.029","0.006","91.387","0.007","1077.2","0.16","150","","150","","","","","","","","","3","P -1","-P 1","2","","11-amino-5,6-dihydropurino[8,9-a]isoquinoline","","- C13 H11 N5 -","- C13 H11 N5 -","- C52 H44 N20 -","4","2","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Intramolecular Direct C-H Arylation Approach to Fused Purines. Synthesis of Purino[8,9-f]phenanthridines and 5,6-Dihydropurino[8,9-a]isoquinolines","Journal of Organic Chemistry","2010","75","7","2302","2308","10.1021/jo100111t","","x-ray","1.54184","CuKα","","0.0682","0.0497","","0.0743","0.0562","0.0562","","","","","","1.0786","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025332","10.2023","0.0013","11.7179","0.0015","11.9757","0.0016","84.147","0.011","65.064","0.013","82.177","0.011","1284.6","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","5,6-dihydro-11-methylpurino[8,9-a]isoquinoline","","- C14 H15 N4 O1.5 -","- C14 H15 N4 O1.5 -","- C56 H60 N16 O6 -","4","2","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Intramolecular Direct C-H Arylation Approach to Fused Purines. Synthesis of Purino[8,9-f]phenanthridines and 5,6-Dihydropurino[8,9-a]isoquinolines","Journal of Organic Chemistry","2010","75","7","2302","2308","10.1021/jo100111t","","x-ray","1.5418","CuKα","","0.0699","0.0511","","0.0817","0.063","0.063","","","","","","0.9396","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025333","10.3542","0.0006","10.0173","0.0005","17.2627","0.0009","90","","93.511","0.003","90","","1787.15","0.17","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl N2 O S -","- C18 H21 Cl N2 O S -","- C72 H84 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1287","0.0763","","","0.1795","0.2158","","","","","","1.178","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025334","17.0011","0.0007","5.8887","0.0002","20.1269","0.0009","90","","93.1231","0.0018","90","","2012","0.14","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N2 O S -","- C22 H23 Cl N2 O S -","- C88 H92 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1377","0.0745","","","0.1339","0.1625","","","","","","1.014","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025335","12.151","0.0004","9.6705","0.0004","18.2329","0.0008","90","","103.897","0.002","90","","2079.77","0.14","193","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N2 O S -","- C22 H23 Cl N2 O S -","- C88 H92 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1","0.068","","0.236","0.205","0.205","","","1.725","1.797","1.797","1.772","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025336","9.1213","0.0002","9.578","0.0002","20.1152","0.0006","90","","90","","90","","1757.34","0.07","173","","173","2","","","","","","","Local laboratory","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl N2 O S -","- C17 H19 Cl N2 O S -","- C68 H76 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0912","0.0566","","","0.1507","0.1896","","","","","","1.086","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025337","10.7047","0.0003","10.7252","0.0002","14.7684","0.0005","90","","90","","90","","1695.56","0.08","188","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 S -","- C18 H21 N O2 S -","- C72 H84 N4 O8 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0697","0.0492","","","0.1258","0.1482","","","","","","1.177","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4025338","12.7478","0.0003","12.7478","0.0003","10.8174","0.0003","90","","90","","90","","1757.9","0.08","193","2","193","2","","","","","","","","6","P 43","P 4cw","78","","","","- C17 H20 Br N O2 S -","- C17 H20 Br N O2 S -","- C68 H80 Br4 N4 O8 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0723","0.0508","","","0.1208","0.1361","","","","","","0.998","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025339","7.3755","0.0002","9.4464","0.0002","26.3763","0.0008","90","","90","","90","","1837.69","0.08","258","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O S -","- C19 H24 N2 O S -","- C76 H96 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0841","0.0543","","","0.1436","0.1794","","","","","","1.148","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025340","7.6984","0.0003","13.8253","0.0006","9.5434","0.0003","90","","112.762","0.003","90","","936.62","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl N2 O S -","- C18 H23 Cl N2 O S -","- C36 H46 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0575","0.0469","","","0.1259","0.1339","","","","","","1.154","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025341","5.8283","0.0003","15.6113","0.0009","11.4393","0.0008","90","","98.277","0.003","90","","1029.99","0.11","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H25 Cl N2 O S -","- C22 H25 Cl N2 O S -","- C44 H50 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1338","0.0672","","","0.1528","0.1954","","","","","","1.062","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025342","8.7649","0.0002","13.6787","0.0004","9.6973","0.0003","90","","113.149","0.0012","90","","1069.02","0.05","173","","173","2","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C22 H25 Cl N2 O S -","- C22 H25 Cl N2 O S -","- C44 H50 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0405","0.0357","","","0.092","0.0961","","","","","","0.978","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025343","9.5514","0.0003","11.4813","0.0003","16.0868","0.0006","90","","90","","90","","1764.12","0.1","223","","223","2","","","","","","","Local laboratory","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl N2 O S -","- C17 H21 Cl N2 O S -","- C68 H84 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.126","0.058","","0.369","0.137","0.137","","","2.035","1.785","1.785","1.782","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4025344","9.6281","0.0003","10.0335","0.0003","20.0405","0.0007","90","","90","","90","","1935.98","0.11","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl N2 O S -","- C19 H25 Cl N2 O S -","- C76 H100 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0713","0.0509","","","0.1346","0.1657","","","","","","1.186","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025345","9.5631","0.0003","9.6026","0.0003","18.5489","0.0007","90","","90","","90","","1703.36","0.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C72 H92 N4 O8 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0832","0.0522","","","0.123","0.1418","","","","","","0.947","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025346","9.3092","0.0008","12.0749","0.0011","14.8431","0.0014","90","","90","","90","","1668.5","0.3","158","2","158","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O S -","- C17 H20 Br N O S -","- C68 H80 Br4 N4 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0247","0.0209","","","0.0505","0.0519","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025347","9.3004","0.0004","13.5899","0.0006","14.7561","0.0007","90","","90","","90","","1865.05","0.15","173","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O S -","- C20 H27 N O S -","- C80 H108 N4 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1316","0.0684","","","0.1653","0.2138","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4025348","10.2162","0.0012","15.3633","0.0017","17.547","0.002","90","","97.588","0.005","90","","2730","0.5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br Cl N3 O2 S -","- C31 H23 Br Cl N3 O2 S -","- C124 H92 Br4 Cl4 N12 O8 S4 -","4","1","","Ying Cheng; Jiang-Hua Peng; Jia-Qi Li","Orthogonal Synthesis of Densely Functionalized Pyrroles and Thiophenes from the Reactions of Imidazo[1,5-a]pyridine Carbene-Derived Zwitterions with Electron-Deficient Alkynes","Journal of Organic Chemistry","2010","75","","2382","2388","10.1021/jo100225r","","","0.7107","MoKα","","0.0563","0.0423","","","0.0979","0.1163","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025349","12.869","0.003","12.864","0.003","19.102","0.004","90","","95.39","0.03","90","","3148.3","1.2","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 Cl3 N3 O4 S -","- C33 H26 Cl3 N3 O4 S -","- C132 H104 Cl12 N12 O16 S4 -","4","1","","Ying Cheng; Jiang-Hua Peng; Jia-Qi Li","Orthogonal Synthesis of Densely Functionalized Pyrroles and Thiophenes from the Reactions of Imidazo[1,5-a]pyridine Carbene-Derived Zwitterions with Electron-Deficient Alkynes","Journal of Organic Chemistry","2010","75","","2382","2388","10.1021/jo100225r","","","0.71073","MoKα","","0.0723","0.069","","","0.1538","0.1562","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025350","5.6584","0.0001","10.1501","0.0002","15.8737","0.0004","90","","94.9963","0.0009","90","","908.22","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C36 H44 N4 O12 -","2","1","","David M. Hodgson; Saifullah Salik; David J. Fox","Stereocontrolled Syntheses of (-)-Cubebol and (-)-10-Epicubebol Involving Intramolecular Cyclopropanation of α-Lithiated Epoxides","Journal of Organic Chemistry","2010","75","","2157","2168","10.1021/jo9022974","","","0.71073","MoKα","","0.0455","0.0329","","0.0829","0.069","0.0829","","","","","","0.9301","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025351","9.8823","0.0002","9.5332","0.0002","30.4082","0.0008","90","","91.1046","0.001","90","","2864.22","0.11","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O -","- C15 H26 O -","- C120 H208 O8 -","8","4","","David M. Hodgson; Saifullah Salik; David J. Fox","Stereocontrolled Syntheses of (-)-Cubebol and (-)-10-Epicubebol Involving Intramolecular Cyclopropanation of α-Lithiated Epoxides","Journal of Organic Chemistry","2010","75","","2157","2168","10.1021/jo9022974","","","0.71073","MoKα","","0.0814","0.0638","","0.1513","0.1408","0.1513","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025352","11.3035","0.0005","5.8935","0.0004","12.286","0.0008","90","","112.657","0.003","90","","755.3","0.08","150","0.02","150","0.02","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H20 Br N O S -","- C14 H20 Br N O S -","- C28 H40 Br2 N2 O2 S2 -","2","1","","Leleti Rajender Reddy; Sonia G. Das; Yugang Liu; Mahavir Prashad","A Facile Asymmetric Synthesis of Either Enantiomer of 2-Substituted Pyrrolidines","Journal of Organic Chemistry","2010","75","","2236","2246","10.1021/jo902710s","","","1.54184","CU-Kα","","0.024","0.023","","","0.059","0.059","","","","","","1.043","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4025353","9.822","0.003","8.97","0.004","17.061","0.005","90","","94.74","0.02","90","","1498","0.9","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H38 O3 Si -","- C35 H38 O3 Si -","- C70 H76 O6 Si2 -","2","1","","Marko Weimar; Gerd Dürner; Jan W. Bats; Michael W. Göbel","Enantioselective Synthesis of (+)-Estrone Exploiting a Hydrogen Bond-Promoted Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","2718","2721","10.1021/jo100053j","","","0.71073","MoKα","","0.095","0.052","","","0.1011","0.1122","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025354","12.3468","0.0014","12.8449","0.0012","16.152","0.002","90","","90","","90","","2561.6","0.5","166","2","166","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C124 H104 N8 O20 -","4","1","","Marko Weimar; Gerd Dürner; Jan W. Bats; Michael W. Göbel","Enantioselective Synthesis of (+)-Estrone Exploiting a Hydrogen Bond-Promoted Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","2718","2721","10.1021/jo100053j","","","0.71073","MoKα","","0.0474","0.0394","","","0.0965","0.1018","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025355","11.6341","0.0009","12.2951","0.0009","12.4405","0.0009","70.166","0.001","78.517","0.001","62.393","0.001","1481.5","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","compound 1","N1,N8-bis(diphenylmethylene)anthraquinone-1,8-diamine","","- C40 H26 N2 O2 -","- C40 H26 N2 O2 -","- C80 H52 N4 O4 -","2","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure and Stereodynamics of Aryldiimino Derivatives","Journal of Organic Chemistry","2010","75","","2572","2577","10.1021/jo100106t","","","0.71073","MoKα","","0.0781","0.0427","","","0.0932","0.1111","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025356","9.2785","0.0007","17.3657","0.0013","18.0417","0.0013","90","","96.367","0.001","90","","2889.1","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","compound 2","N1,N8-bis(diphenylmethylene)anthracene-1,8-diamine","","- C40 H28 N2 -","- C40 H28 N2 -","- C160 H112 N8 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure and Stereodynamics of Aryldiimino Derivatives","Journal of Organic Chemistry","2010","75","","2572","2577","10.1021/jo100106t","","","0.71073","MoKα","","0.0596","0.0428","","","0.1072","0.1192","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025357","13.4862","0.001","12.4518","0.001","17.2162","0.0013","90","","106.421","0.001","90","","2773.1","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","compound 3","N1,N8-bis(diphenylmethylene)biphenylene-1,8-diamine","","- C38 H26 N2 -","- C38 H26 N2 -","- C152 H104 N8 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure and Stereodynamics of Aryldiimino Derivatives","Journal of Organic Chemistry","2010","75","","2572","2577","10.1021/jo100106t","","","0.71073","MoKα","","0.0633","0.0414","","","0.1044","0.125","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025358","12.258","0.003","20.15","0.004","11.618","0.002","90","","101.276","0.003","90","","2814.2","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","compound 4","N1,N8-bis(diphenylmethylene)naphthalene-1,8-diamine","","- C37 H27.5 N2.25 -","- C37 H27.5 N2.25 -","- C148 H110 N9 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure and Stereodynamics of Aryldiimino Derivatives","Journal of Organic Chemistry","2010","75","","2572","2577","10.1021/jo100106t","","","0.71073","MoKα","","0.0569","0.0464","","","0.1412","0.1488","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025359","9.8004","0.0004","19.887","0.0009","10.0615","0.0004","90","","113.911","0.001","90","","1792.69","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Xiaobing Zhang; Zhan Lu; Chunling Fu; Shengming Ma","Synthesis of Polysubstituted Furans Based on a Stepwise Sonogashira Coupling of (Z)-3-Iodoalk-2-en-1-ols with Terminal Propargylic Alcohols and Subsequent Au(I)- or Pd(II)-Catalyzed Cyclization-Aromatization via Elimination of H2O","Journal of Organic Chemistry","2010","75","","2589","2598","10.1021/jo100146p","","","0.71073","MoKα","","0.0502","0.0436","","","0.1154","0.1241","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025360","11.27","0.004","9.666","0.006","15.38","0.007","90","","106.96","0.03","90","","1602.6","1.4","191","2","191","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 N O -","- C8 H15 N O -","- C64 H120 N8 O8 -","8","2","","Dana K. Winter; Alexandre Drouin; Jean Lessard; Claude Spino","Photochemical Rearrangement of N-Chlorolactams: A Route to N-Heterocycles through Concerted Ring Contraction","Journal of Organic Chemistry","2010","75","","2610","2618","10.1021/jo100181h","","","1.54176","CuKα","","0.1226","0.0865","","","0.2354","0.2674","","","","","","0.953","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025361","7.095","0.009","8.508","0.011","9.717","0.013","89.029","0.015","75.838","0.017","85.883","0.017","567.3","1.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","","Yusuke Kobayashi; Kosuke Katagiri; Isao Azumaya; Takashi Harayama","Trifluoroacetylation-Induced Houben-Hoesch-Type Cyclization of Cyanoacetanilides: Increased Nucleophilicity of CN Groups","Journal of Organic Chemistry","2010","75","","2741","2744","10.1021/jo100220m","","","0.71073","MoKα","","0.071","0.0642","","","0.2146","0.2193","","","","","","1.179","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025362","10.271","0.009","14.061","0.013","20.007","0.018","90","","90","","90","","2889","5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 F14 N4 O4 -","- C28 H18 F14 N4 O4 -","- C112 H72 F56 N16 O16 -","4","1","","Yusuke Kobayashi; Kosuke Katagiri; Isao Azumaya; Takashi Harayama","Trifluoroacetylation-Induced Houben-Hoesch-Type Cyclization of Cyanoacetanilides: Increased Nucleophilicity of CN Groups","Journal of Organic Chemistry","2010","75","","2741","2744","10.1021/jo100220m","","","0.71073","MoKα","","0.032","0.0284","","","0.0712","0.0736","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025363","11.209","0.0005","12.4178","0.0006","31.5636","0.0015","90","","90","","90","","4393.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H49 Cl2 O2 P Pd S -","- C50 H49 Cl2 O2 P Pd S -","- C200 H196 Cl8 O8 P4 Pd4 S4 -","4","1","","Xisco Caldentey; Miquel A. Pericàs","Phosphinite Thioethers Derived from Chiral Epoxides. Modular P,S-Ligands for Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2010","75","","2628","2644","10.1021/jo100223w","","","0.71073","MoKα","","0.0223","0.0215","","","0.0547","0.055","","","","","","1.105","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4025364","10.6012","0.0005","12.3725","0.0005","12.9208","0.0006","67.756","0.001","65.93","0.001","65.849","0.001","1365.6","0.11","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H31 Cl2 O2 P Pd S -","- C26 H31 Cl2 O2 P Pd S -","- C52 H62 Cl4 O4 P2 Pd2 S2 -","2","2","","Xisco Caldentey; Miquel A. Pericàs","Phosphinite Thioethers Derived from Chiral Epoxides. Modular P,S-Ligands for Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2010","75","","2628","2644","10.1021/jo100223w","","","0.71073","MoKα","","0.0243","0.023","","","0.0554","0.0561","","","","","","1.015","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4025365","6.363","0.003","9.031","0.004","13.892","0.006","90","","94.436","0.007","90","","795.9","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl(1S, 2S, 3R)-1-(furan-2-yl)-3-hydroxy-2-methylbutylcarbamate","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C28 H46 N2 O8 -","2","1","","Gullapalli Kumaraswamy; Neerasa Jayaprakash; Balasubramanian Sridhar","An Organocatalyzed Enantioselective Synthesis of (2S,3R,4S)-4-Hydroxyisoleucine and Its Stereoisomers","Journal of Organic Chemistry","2010","75","","2745","2747","10.1021/jo100233u","","x-ray","0.71073","MoKα","","0.0657","0.0475","","","0.099","0.1056","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025366","9.8227","0.0008","10.5273","0.0009","15.717","0.0013","90","","97.649","0.001","90","","1610.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Br2 N O3 S -","- C15 H17 Br2 N O3 S -","- C60 H68 Br8 N4 O12 S4 -","4","1","","Gaoquan Li; Stephen F. Nelsen; Almaz S. Jalilov; Ilia A. Guzei","O-Capped Heteroadamantyl-Substituted Hydrazines and Their Oxidation Products","Journal of Organic Chemistry","2010","75","","2445","2452","10.1021/jo100294u","","","0.71073","Mo-Kα","","0.0279","0.0258","","","0.0673","0.0684","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025367","11.0171","0.0007","8.4841","0.0005","25.5815","0.0014","90","","90","","90","","2391.1","0.2","123","","123","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","1","","Christoph Beyer; Hans-Achim Wagenknecht","Synthesis of Spiropyrans As Building Blocks for Molecular Switches and Dyads","Journal of Organic Chemistry","2010","75","","2752","2755","10.1021/jo100309r","","","0.71073","MoKα","","0.0478","0.0387","","","0.0987","0.102","","","","","","1.059","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025368","20.555","0.0014","7.568","0.0005","23.917","0.0016","90","","90","","90","","3720.5","0.4","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Quinazolino benzodiazepinone","","","- C20 H18 Cl2 N4 O -","- C20 H18 Cl2 N4 O -","- C160 H144 Cl16 N32 O8 -","8","1","","Umesh A. Kshirsagar; Vedavati G. Puranik; Narshinha P. Argade","Total Synthesis of Proposed Auranthine","Journal of Organic Chemistry","2010","75","","2702","2705","10.1021/jo100400z","","","0.71073","MoKα","","0.08","0.0605","","","0.1708","0.1879","","","","","","1.042","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025369","12.5886","0.0008","9.3268","0.0006","14.0793","0.001","90","","93.555","0.001","90","","1649.89","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetrahydroquinazolinopyridobenzodiazepindione","","","- C19 H16 N4 O3 -","- C19 H16 N4 O3 -","- C76 H64 N16 O12 -","4","1","","Umesh A. Kshirsagar; Vedavati G. Puranik; Narshinha P. Argade","Total Synthesis of Proposed Auranthine","Journal of Organic Chemistry","2010","75","","2702","2705","10.1021/jo100400z","","","0.71073","MoKα","","0.0436","0.0389","","","0.0957","0.0993","","","","","","1.054","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025370","20.072","0.004","17.495","0.004","9.4424","0.0019","90","","90","","90","","3315.8","1.2","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-nBu-isocyanide","","","- C35 H49 N3 O2 -","- C35 H49 N3 O2 -","- C140 H196 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0901","0.0747","","","0.1362","0.1452","","","","","","1.006","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025371","17.7","0.004","11.334","0.002","18.171","0.004","90","","113.27","0.03","90","","3348.8","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-KetoDipp-Benzylisocyanide","","","- C38 H47 N3 O2 -","- C38 H47 N3 O2 -","- C152 H188 N12 O8 -","4","1","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0606","0.0462","","","0.1204","0.133","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025372","19.864","0.004","17.853","0.004","9.782","0.002","90","","90","","90","","3469","1.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-Cy-isocyanide","","","- C37 H51 N3 O2 -","- C37 H51 N3 O2 -","- C148 H204 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0778","0.0587","","","0.1101","0.1196","","","","","","1.006","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025373","9.897","0.002","10.055","0.002","35.743","0.007","90","","90.86","0.03","90","","3556.5","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-KetoDipp-tBu-isocyanide","","","- C38 H56 N3 O2 -","- C38 H56 N3 O2 -","- C152 H224 N12 O8 -","4","1","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0626","0.0535","","","0.1512","0.1644","","","","","","1.005","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025374","20.389","0.004","18.232","0.004","8.9686","0.0018","90","","90","","90","","3333.9","1.2","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-Ph-isocyanide","","","- C37 H45 N3 O2 -","- C37 H45 N3 O2 -","- C148 H180 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0588","0.049","","","0.1429","0.158","","","","","","1.005","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025375","20.054","0.004","17.777","0.004","9.5644","0.0019","90","","90","","90","","3409.7","1.2","110","2","110","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-2,6-dimethylphenylisocyanide","","","- C39 H49 N3 O2 -","- C39 H49 N3 O2 -","- C156 H196 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0654","0.0606","","","0.1692","0.1748","","","","","","1.008","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025376","9.223","0.0014","8.4911","0.0013","22.643","0.004","90","","91.385","0.002","90","","1772.7","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","9-(4-(tert-butyldimethylsilyloxy)-5-((tert-butyldimethylsilyloxy) methyl)tetrahydrofuran-2-yl)-6-(5-p-tolyl-1H-1,2,3-triazol-1-yl)- 9H-purine","","- C31 H47 N7 O3 Si2 -","- C31 H47 N7 O3 Si2 -","- C62 H94 N14 O6 Si4 -","2","1","","Mahesh K. Lakshman; Manish K. Singh; Damon Parrish; Raghavan Balachandran; Billy W. Day","Azide-Tetrazole Equilibrium of C-6 Azidopurine Nucleosides and Their Ligation Reactions with Alkynes","Journal of Organic Chemistry","2010","75","","2461","2473","10.1021/jo902342z","","","0.71073","MoKα","","0.0357","0.0314","","","0.0822","0.0893","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025377","8.5969","0.0012","14.44","0.002","16.362","0.002","90","","102.739","0.003","90","","1981.2","0.5","298","2","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C56 H38 -","- C56 H38 -","- C112 H76 -","2","0.5","","Zachary J. O'Brien; Steven D. Karlen; Saeed Khan; Miguel A. Garcia-Garibay","Solid-State Molecular Rotors with Perdeuterated Stators: Mechanistic Insights from Biphenylene Rotational Dynamics in Ordered and Disordered Crystal Forms","Journal of Organic Chemistry","2010","75","","2482","2491","10.1021/jo9025176","","","0.71073","MoKα","","0.224","0.0573","","","0.0919","0.1314","","","","","","0.922","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025378","15.991","0.0013","7.5955","0.0006","36.383","0.003","90","","91.064","0.001","90","","4418.3","0.6","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 -","- C62 H48 -","- C248 H192 -","4","1","","Zachary J. O'Brien; Steven D. Karlen; Saeed Khan; Miguel A. Garcia-Garibay","Solid-State Molecular Rotors with Perdeuterated Stators: Mechanistic Insights from Biphenylene Rotational Dynamics in Ordered and Disordered Crystal Forms","Journal of Organic Chemistry","2010","75","","2482","2491","10.1021/jo9025176","","","0.71073","MoKα","","0.0584","0.0483","","","0.1315","0.1399","","","","","","1.017","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025379","32.288","0.011","13.621","0.004","20.774","0.007","90","","122.411","0.006","90","","7713","4","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H39 Cl3 N4 Ni -","- C49 H39 Cl3 N4 Ni -","- C392 H312 Cl24 N32 Ni8 -","8","1","","Holly Boedigheimer; Gregory M. Ferrence; Timothy D. Lash","Porphyrin on a Half-Shell! Synthesis and Characterization of Corannulenoporphyrins","Journal of Organic Chemistry","2010","75","","2518","2527","10.1021/jo902592u","","x-ray","0.71073","MoKα","","0.1686","0.0791","","","0.1424","0.1771","","","","","","1.012","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025380","26.215","0.006","3.8912","0.0009","9.856","0.002","90","","90","","90","","1005.4","0.4","396","2","396","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H6 Br N O2 S -","- C10 H6 Br N O2 S -","- C40 H24 Br4 N4 O8 S4 -","4","1","","Cornelius J. O; Connor'; Mark D. Roydhouse; Anna M. Przybył; Michael D. Wall; J. Mike Southern","Facile Synthesis of 3-Nitro-2-substituted Thiophenes","Journal of Organic Chemistry","2010","75","","2534","2538","10.1021/jo902656y","","","0.71073","MoKα","","0.0489","0.0463","","","0.1104","0.1122","","","","","","1.066","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025381","13.379","0.003","7.1453","0.0015","9.777","0.002","90","","97.835","0.004","90","","925.9","0.3","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O4 S -","- C8 H9 N O4 S -","- C32 H36 N4 O16 S4 -","4","1","","Cornelius J. O; Connor'; Mark D. Roydhouse; Anna M. Przybył; Michael D. Wall; J. Mike Southern","Facile Synthesis of 3-Nitro-2-substituted Thiophenes","Journal of Organic Chemistry","2010","75","","2534","2538","10.1021/jo902656y","","","0.71073","MoKα","","0.0395","0.0355","","","0.0863","0.0988","","","","","","1.137","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025382","12.453","0.005","8.941","0.003","18.435","0.007","90","","90","","90","","2052.6","1.3","108","2","108","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 N O3 S -","- C8 H15 N O3 S -","- C64 H120 N8 O24 S8 -","8","1","","Cornelius J. O; Connor'; Mark D. Roydhouse; Anna M. Przybył; Michael D. Wall; J. Mike Southern","Facile Synthesis of 3-Nitro-2-substituted Thiophenes","Journal of Organic Chemistry","2010","75","","2534","2538","10.1021/jo902656y","","","0.71075","MoKα","","0.0829","0.0542","","","0.172","0.2255","","","","","","1.163","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025383","18.083","0.002","13.6403","0.0015","7.879","0.0009","90","","97.809","0.002","90","","1925.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O4 -","- C24 H19 N O4 -","- C96 H76 N4 O16 -","4","1","","Min Jiang; Yin Wei; Min Shi","Acetoxylation and Hydroxylation of Diarylmethylenecycloalkanes via Radical Approach","Journal of Organic Chemistry","2010","75","","2528","2533","10.1021/jo9027209","","","0.71073","MoKα","","0.0894","0.0664","","","0.1729","0.1894","","","","","","1.071","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025384","9.066","0.003","9.498","0.002","19.981","0.006","90","","102.22","0.03","90","","1681.6","0.9","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C28 H50 N2 O6 -","- C28 H50 N2 O6 -","- C56 H100 N4 O12 -","2","1","","Stephen Hanessian; Dilip K. Maji; Subramaniyan Govindan; Riccardo Matera; Marina Tintelnot-Blomley","Substrate-Controlled and Organocatalytic Asymmetric Synthesis of Carbocyclic Amino Acid Dipeptide Mimetics","Journal of Organic Chemistry","2010","75","","2861","2876","10.1021/jo100017t","","","1.54178","CuKα","","0.118","0.0525","","","0.1078","0.1262","","","","","","0.704","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025385","5.0354","0.0014","16.767","0.004","17.907","0.005","90","","90","","90","","1511.9","0.7","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","1","","Stephen Hanessian; Dilip K. Maji; Subramaniyan Govindan; Riccardo Matera; Marina Tintelnot-Blomley","Substrate-Controlled and Organocatalytic Asymmetric Synthesis of Carbocyclic Amino Acid Dipeptide Mimetics","Journal of Organic Chemistry","2010","75","","2861","2876","10.1021/jo100017t","","","1.54178","CuKα","","0.0723","0.0387","","","0.0769","0.0853","","","","","","0.717","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025386","4.8357","0.0001","31.1808","0.0006","8.5989","0.0002","90","","103.178","0.001","90","","1262.41","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","2","","Stephen Hanessian; Dilip K. Maji; Subramaniyan Govindan; Riccardo Matera; Marina Tintelnot-Blomley","Substrate-Controlled and Organocatalytic Asymmetric Synthesis of Carbocyclic Amino Acid Dipeptide Mimetics","Journal of Organic Chemistry","2010","75","","2861","2876","10.1021/jo100017t","","","1.54178","CuKα","","0.1172","0.0631","","","0.1232","0.1584","","","","","","1.016","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025387","8.9828","0.0009","10.4604","0.001","12.0419","0.0011","84.888","0.002","80.135","0.002","82.659","0.002","1103.01","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C52 H52 N4 O6 -","2","1","","Xiao-Feng Xia; Xing-Zhong Shu; Ke-Gong Ji; Yan-Fang Yang; Ali Shaukat; Xue-Yuan Liu; Yong-Min Liang","Platinum-Catalyzed Michael Addition and Cyclization of Tertiary Amines with Nitroolefins by Dehydrogenation of α,β-sp3C-H Bonds","Journal of Organic Chemistry","2010","75","","2893","2902","10.1021/jo100133z","","","0.71073","MoKα","","0.0813","0.049","","","0.1218","0.1435","","","","","","1.055","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025388","15.292","0.003","6.2213","0.0014","18.49","0.004","90","","93.435","0.005","90","","1755.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 O -","- C22 H27 O -","- C88 H108 O4 -","4","1","","Guijie Li; Yuanhong Liu","Gold-Catalyzed Benzannulation of 3-Alkoxy-1,5-enynes: Access to Functionalized Benzenes","Journal of Organic Chemistry","2010","75","","2903","2909","10.1021/jo100137j","","","0.71073","MoKα","","0.1427","0.0601","","","0.144","0.1736","","","","","","0.78","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025389","13.3","0.0004","16.5434","0.0005","20.936","0.0008","90","","90","","90","","4606.5","0.3","293","","293","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 N4 O10 Se2 -","- C44 H50 N4 O10 Se2 -","- C176 H200 N16 O40 Se8 -","4","1","","Nasir Baig Rashid Baig; R. N. Chandrakala; V. Sai Sudhir; Srinivasan Chandrasekaran","Synthesis of Unnatural Selenocystines and β-Aminodiselenides via Regioselective Ring-Opening of Sulfamidates Using a Sequential, One-Pot, Multistep Strategy","Journal of Organic Chemistry","2010","75","","2910","2921","10.1021/jo1001388","","x-ray","0.71073","MoKα","","0.1102","0.0336","","","0.0505","0.06","","","","","","0.729","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025390","45.39","0.005","45.39","0.005","28.447","0.007","90","","90","","90","","58608","17","150","2","150","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","K(H2O)2[(CB2)2Ph]4","[K(C28H26N16O8)4(H2O)2](CF3COO).16CF3COOH.48H2O","","- C146 H220 F51 K N64 O116 -","- C112 H104 K N64 O34 -","- C896 H832 K8 N512 O272 -","8","0.25","","Da Ma; Zuzana Gargulakova; Peter Y. Zavalij; Vladimir Sindelar; Lyle Isaacs","Reasons Why Aldehydes Do Not Generally Participate in Cucurbit[n]uril Forming Reactions","Journal of Organic Chemistry","2010","75","","2934","2941","10.1021/jo100186q","","","0.71073","MoKα","","0.1216","0.0948","","","0.187","0.197","","","","","","1","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025391","8.2799","0.0017","11.836","0.002","22.785","0.005","90","","90.9","0.03","90","","2232.7","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N8 O7 -","- C22 H22 N8 O6.5 -","- C88 H88 N32 O26 -","4","1","","Da Ma; Zuzana Gargulakova; Peter Y. Zavalij; Vladimir Sindelar; Lyle Isaacs","Reasons Why Aldehydes Do Not Generally Participate in Cucurbit[n]uril Forming Reactions","Journal of Organic Chemistry","2010","75","","2934","2941","10.1021/jo100186q","","","0.71073","MoKα","","0.0592","0.0528","","","0.141","0.1471","","","","","","1.091","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025392","9.1223","0.0002","10.2911","0.0002","12.3139","0.0002","69.152","0.001","77.562","0.001","70.655","0.001","1013.08","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl3 N4 O3 -","- C22 H13 Cl3 N4 O3 -","- C44 H26 Cl6 N8 O6 -","2","1","","Haitao Yu; Jinbo Li; Zhuangfei Kou; Xuewen Du; Yi wei; Hoong-Kun Fun; Jianhua Xu; Yan Zhang","Photoinduced Tandem Reactions of Isoquinoline-1,3,4-trione with Alkynes To Build Aza-polycycles","Journal of Organic Chemistry","2010","75","","2989","3001","10.1021/jo100218w","","","0.71073","MoKα","","0.0435","0.0388","","","0.107","0.1106","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025393","8.531","0.0017","26.709","0.005","8.869","0.0018","90","","106.52","0.03","90","","1937.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N4 O4 -","- C22 H15 N4 O4 -","- C88 H60 N16 O16 -","4","1","","Haitao Yu; Jinbo Li; Zhuangfei Kou; Xuewen Du; Yi wei; Hoong-Kun Fun; Jianhua Xu; Yan Zhang","Photoinduced Tandem Reactions of Isoquinoline-1,3,4-trione with Alkynes To Build Aza-polycycles","Journal of Organic Chemistry","2010","75","","2989","3001","10.1021/jo100218w","","","0.71073","MoKα","","0.1902","0.1211","","","0.2616","0.2912","","","","","","1.427","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025394","10.986","0.0011","8.3694","0.0009","15.2879","0.0016","90","","109.077","0.001","90","","1328.5","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O -","- C14 H19 N3 O -","- C56 H76 N12 O4 -","4","1","","Bo Jiang; Chao Li; Feng Shi; Shu-Jiang Tu; Parminder Kaur; Walter Wever; Guigen Li","Four-Component Domino Reaction Providing an Easy Access to Multifunctionalized Tricyclo[6.2.2.01,6]dodecane Derivatives","Journal of Organic Chemistry","2010","75","","2962","2965","10.1021/jo1002278","","","0.71073","MoKα","","0.1063","0.0627","","","0.1745","0.193","","","","","","1.07","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025395","10.0297","0.0002","10.3403","0.0002","10.7915","0.0002","109.31","0.001","110.16","0.001","95.922","0.001","961.27","0.03","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H18 N2 -","- C26 H18 N2 -","- C52 H36 N4 -","2","1","","Jan Storch; Jan Čermák; Jindřich Karban; Ivana Císařová; Jan Sýkora","Synthesis of 2-Aza[6]helicene and Attempts To Synthesize 2,14-Diaza[6]helicene Utilizing Metal-Catalyzed Cycloisomerization","Journal of Organic Chemistry","2010","75","","3137","3140","10.1021/jo100252a","","","0.71073","MoKα","","0.0485","0.0368","","0.0578","0.0458","0.0458","","","","","","1.1126","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025396","19.3228","0.0003","17.3708","0.0002","8.8384","0.0001","90","","96.451","0.001","90","","2947.85","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","2","","Ruili Gao; Chae S. Yi","Regioselective Formation of α-Vinylpyrroles from the Ruthenium-Catalyzed Coupling Reaction of Pyrroles and Terminal Alkynes Involving C-H Bond Activation","Journal of Organic Chemistry","2010","75","","3144","3146","10.1021/jo100269y","","","1.54178","CuKα","","0.0335","0.031","","","0.0768","0.0787","","","","","","0.993","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025397","7.3861","0.0019","6.1929","0.0016","18.088","0.005","90","","99.191","0.004","90","","816.7","0.4","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl N4 O -","- C7 H5 Cl N4 O -","- C28 H20 Cl4 N16 O4 -","4","1","","Tal Harel; Shlomo Rozen","The Tetrazole 3-N-Oxide Synthesis","Journal of Organic Chemistry","2010","75","","3141","3143","10.1021/jo100278z","","","0.71073","MoKα","","0.0795","0.0692","","","0.1407","0.1453","","","","","","1.268","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025398","7.2868","0.0014","9.243","0.0017","11.019","0.002","90","","90","","90","","742.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N4 O -","- C6 H10 N4 O -","- C24 H40 N16 O4 -","4","1","","Tal Harel; Shlomo Rozen","The Tetrazole 3-N-Oxide Synthesis","Journal of Organic Chemistry","2010","75","","3141","3143","10.1021/jo100278z","","","0.71073","MoKα","","0.0455","0.0443","","","0.1141","0.1149","","","","","","1.106","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025399","9.7257","0.0005","8.5132","0.0004","18.6413","0.0009","90","","97.1384","0.0015","90","","1531.48","0.13","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N O7 S -","- C13 H19 N O7 S -","- C52 H76 N4 O28 S4 -","4","1","","Akio Kamimura; Toshiki Nakano","Use of the Diels-Alder Adduct of Pyrrole in Organic Synthesis. Formal Racemic Synthesis of Tamiflu","Journal of Organic Chemistry","2010","75","","3133","3136","10.1021/jo1002856","","","0.71075","MoKα","","","0.044","","","","0.0438","","","","","","2.498","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025400","6.34741","0.00007","10.76431","0.00009","12.86992","0.00013","90","","102.271","0.001","90","","859.254","0.015","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O6 -","- C17 H21 N O6 -","- C34 H42 N2 O12 -","2","1","","Alexander M. R. Smith; Henry S. Rzepa; Andrew J. P. White; Denis Billen; King Kuok (Mimi) Hii","Delineating Origins of Stereocontrol in Asymmetric Pd-Catalyzed α-Hydroxylation of 1,3-Ketoesters","Journal of Organic Chemistry","2010","75","","3085","3096","10.1021/jo1002906","","","1.54184","CuKα","","0.0277","0.0259","","","0.0679","0.0688","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025401","6.218","0.0002","13.0241","0.0004","18.1587","0.0006","90","","90","","90","","1470.56","0.08","298","2","298","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","1","","Maialen Aginagalde; Yosu Vara; Ana Arrieta; Ronen Zangi; Vicente L. Cebolla; Arantzazu Delgado-Camón; Fernando P. Cossío","Tandem [8 + 2] Cycloaddition-[2 + 6 + 2] Dehydrogenation Reactions Involving Imidazo[1,2-a]pyridines and Imidazo[1,2-a]pyrimidines","Journal of Organic Chemistry","2010","75","","2776","2784","10.1021/jo9022815","","x-ray","0.71073","MoKα","","0.066","0.0479","","","0.1142","0.1212","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025402","10.483","0.004","12.555","0.005","12.698","0.005","111.777","0.008","111.332","0.007","92.411","0.009","1415","1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H30 N2 O2 -","- C35 H30 N2 O2 -","- C70 H60 N4 O4 -","2","1","","Morteza Bararjanian; Saeed Balalaie; Frank Rominger; Barahman Movassagh; Hamid Reza Bijanzadeh","Six-Component Reactions for the Stereoselective Synthesis of 3-Arylidene-2-oxindoles via Sequential One-Pot Ugi/Heck Carbocyclization/Sonogashira/Nucleophilic Addition","Journal of Organic Chemistry","2010","75","","2806","2812","10.1021/jo902713x","","","0.71073","MoKα","","0.1385","0.0908","","","0.1512","0.1671","","","","","","1.19","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025403","5.969","0.0004","10.505","0.0009","18.122","0.0008","90","","90","","90","","1136.33","0.13","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F O4 -","- C13 H13 F O4 -","- C52 H52 F4 O16 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0995","0.0882","","0.0792","0.0745","0.0745","","","","","","1.0704","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025404","6.069","0.0005","17.099","0.0015","11.238","0.0005","90","","103.155","0.005","90","","1135.61","0.15","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 F O4 -","- C13 H13 F O4 -","- C52 H52 F4 O16 -","4","2","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0836","0.0703","","0.0721","0.0689","0.0689","","","","","","1.0928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025405","6.4042","0.0003","9.1961","0.0003","10.046","0.0004","90","","90","","90","","591.65","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0288","0.0265","","0.0328","0.0299","0.0299","","","","","","0.9964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025406","9.3879","0.0003","9.4085","0.0002","6.7494","0.0002","90","","90","","90","","596.15","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.027","0.0246","","0.0295","0.0285","0.0285","","","","","","0.8793","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025407","6.8713","0.0002","9.1449","0.0003","9.5056","0.0003","90","","90","","90","","597.31","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.028","0.0256","","0.0282","0.0263","0.0263","","","","","","1.0715","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025408","6.5963","0.0002","6.5963","0.0002","13.975","0.0003","90","","90","","90","","608.07","0.03","150","","150","","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0276","0.0249","","0.0281","0.0257","0.0257","","","","","","0.9295","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025409","9.847","0.004","12.586","0.002","11.541","0.003","90","","99.81","0.02","90","","1409.4","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C56 H92 N4 O12 -","4","1","","Jin-Di Yu; Wei Ding; Gao-Yan Lian; Ke-Sheng Song; Dan-Wei Zhang; Xiang Gao; Dan Yang","Selective Approach toward Multifunctionalized Lactams by Lewis Acid Promoted PhSe Group Transfer Radical Cyclization","Journal of Organic Chemistry","2010","75","","3232","3239","10.1021/jo100139u","","","0.71073","MoKα","","0.1213","0.043","","","0.0914","0.113","","","","","","1.057","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025410","8.4513","0.0002","11.8642","0.0002","11.7832","0.0003","90","","90","","90","","1181.48","0.05","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5,5'-Dibromo-2,2'-dichloro-[4,4']bipyridinyl","","- C10 H4 Br2 Cl2 N2 -","- C10 H4 Br2 Cl2 N2 -","- C40 H16 Br8 Cl8 N8 -","4","0.5","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0447","0.0371","","","0.0809","0.0836","","","","","","1.152","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025411","7.3807","0.0002","7.2933","0.0003","10.2971","0.0003","90","","107.738","0.003","90","","527.94","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Bromo-2,2'-dichloro-[4,4']bipyridinyl","","- C10 H5 Br Cl2 N2 -","- C10 H5 Br Cl2 N2 -","- C20 H10 Br2 Cl4 N4 -","2","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0757","0.0627","","","0.1644","0.1759","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025412","7.43736","0.00019","7.9517","0.0002","11.0587","0.0002","96.1554","0.0019","105.829","0.002","96.035","0.002","619.38","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","2,4,2',3'-Tetrabromo-[3,4']bipyridinyl","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C20 H8 Br8 N4 -","2","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.03","0.025","","","0.0636","0.0652","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025413","8.111","0.0002","20.3758","0.0002","8.2664","0.0001","90","","117.055","0.002","90","","1216.67","0.04","110","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,6,2',6'-Tetrabromo-[3,4']bipyridinyl","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C40 H16 Br16 N8 -","4","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0319","0.0275","","","0.0646","0.066","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025414","13.6345","0.0003","3.8144","0.0001","19.833","0.0005","90","","90","","90","","1031.46","0.04","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5'-Bromo-6,2'-dichloro-[2,4']bipyridinyl","","- C10 H5 Br Cl2 N2 -","- C10 H5 Br Cl2 N2 -","- C40 H20 Br4 Cl8 N8 -","4","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0355","0.0284","","","0.0561","0.0576","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025415","14.136","0.0003","4.995","0.0001","17.563","0.0003","90","","112.544","0.002","90","","1145.35","0.04","","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C9 H7 Br2 Cl2 N2 O -","- C10 H7 Br2 Cl N2 O -","- C40 H28 Br8 Cl4 N8 O4 -","4","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","","","","","","","","","","","","","","","","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025416","11.7935","0.0011","16.0031","0.0019","20.98","0.002","90","","90","","90","","3959.6","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H11 Cl3 N2 O4 -","- C22 H11 Cl3 N2 O4 -","- C176 H88 Cl24 N16 O32 -","8","1","","Chambers C. Hughes; Christopher A. Kauffman; Paul R. Jensen; William Fenical","Structures, Reactivities, and Antibiotic Properties of the Marinopyrroles A-F","Journal of Organic Chemistry","2010","75","","3240","3250","10.1021/jo1002054","","","1.54178","CuKα","","0.0838","0.046","","","0.0946","0.108","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025417","12.955","0.003","12.25","0.003","7.2861","0.0018","90","","101.256","0.004","90","","1134.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Br Cl2 N O2 -","- C11 H6 Br Cl2 N O2 -","- C44 H24 Br4 Cl8 N4 O8 -","4","1","","Chambers C. Hughes; Christopher A. Kauffman; Paul R. Jensen; William Fenical","Structures, Reactivities, and Antibiotic Properties of the Marinopyrroles A-F","Journal of Organic Chemistry","2010","75","","3240","3250","10.1021/jo1002054","","","0.71073","MoKα","","0.035","0.0311","","","0.0804","0.0822","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025418","7.264","0.003","10.881","0.005","11.653","0.005","95.189","0.006","96.222","0.006","92.405","0.006","910.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BR4","","","- C14 H12 Br4 N2 O4 -","- C14 H12 Br4 N2 O4 -","- C28 H24 Br8 N4 O8 -","2","1","","Chambers C. Hughes; Christopher A. Kauffman; Paul R. Jensen; William Fenical","Structures, Reactivities, and Antibiotic Properties of the Marinopyrroles A-F","Journal of Organic Chemistry","2010","75","","3240","3250","10.1021/jo1002054","","","0.71073","MoKα","","0.0736","0.0586","","","0.149","0.1634","","","","","","1.043","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4025419","7.1534","0.0002","12.513","0.0004","17.5939","0.0006","90","","92.533","0.003","90","","1573.3","0.09","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl O3 S -","- C17 H17 Cl O3 S -","- C68 H68 Cl4 O12 S4 -","4","1","","Zofia Komsta; Michał Barbasiewicz; Mieczysław Mąkosza","Diastereoselective Synthesis of Tetrahydrofurans from Aryl 3-Chloropropylsulfoxides and Aldehydes","Journal of Organic Chemistry","2010","75","","3251","3259","10.1021/jo1002196","","","0.71073","MoKα","","0.0298","0.0251","","","0.0711","0.0726","","","","","","1.108","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025420","9.097","0.0009","11.8293","0.0012","10.4197","0.001","90","","95.941","0.002","90","","1115.25","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3a,9-dimethyl-3,3a-dihydro-1H-benzo[d]pyrrolo[2,1-b][1,3]oxazine-1,5(2H)-dione","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Enguang Feng; Yu Zhou; Dengyou Zhang; Lei Zhang; Haifeng Sun; Hualiang Jiang; Hong Liu","Gold(I)-Catalyzed Tandem Transformation: A Simple Approach for the Synthesis of Pyrrolo/Pyrido[2,1-a][1,3]benzoxazinones and Pyrrolo/Pyrido[2,1-a]quinazolinones","Journal of Organic Chemistry","2010","75","","3274","3282","10.1021/jo100228u","","","0.71073","MoKα","","0.0592","0.0508","","","0.137","0.1438","","","","","","1.048","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025421","12.011","0.003","17.46","0.006","21.99","0.007","109.09","0.008","92.409","0.007","101.171","0.007","4248","2","123.2","","123.2","","","","","","","","","3","P -1","-P 1","2","","","","- C91 H142 O12 -","- C91 H142 O12 -","- C182 H284 O24 -","2","1","","Tomoki Ogoshi; Keisuke Kitajima; Takamichi Aoki; Shuhei Fujinami; Tada-aki Yamagishi; Yoshiaki Nakamoto","Synthesis and Conformational Characteristics of Alkyl-Substituted Pillar[5]arenes","Journal of Organic Chemistry","2010","75","","3268","3273","10.1021/jo100273n","","","0.7107","MoKα","","","0.0682","","","","0.0887","","","","","","1.182","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025422","25.32","0.005","5.5127","0.001","13.832","0.002","90","","113.078","0.003","90","","1776.2","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Ben-Hu Zhu; Rui Zhou; Jun-Cheng Zheng; Xian-Ming Deng; Xiu-Li Sun; Qi Shen; Yong Tang","Highly Selective Ylide-Initiated Michael Addition/Cyclization Reaction for Synthesis of Cyclohexadiene Epoxide and Vinylcyclopropane Derivatives","Journal of Organic Chemistry","2010","75","","3454","3457","10.1021/jo100306z","","","0.71073","MoKα","","0.0932","0.0647","","","0.1471","0.1558","","","","","","0.866","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025423","5.7405","0.0015","11.557","0.003","16.173","0.004","90","","97.135","0.004","90","","1064.7","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N6 O4 -","- C22 H20 N6 O4 -","- C44 H40 N12 O8 -","2","0.5","","Chenyi Yi; Carmen Blum; Mario Lehmann; Stephan Keller; Shi-Xia Liu; Gabriela Frei; Antonia Neels; Jürg Hauser; Stefan Schürch; Silvio Decurtins","Versatile Strategy To Access Fully Functionalized Benzodifurans: Redox-Active Chromophores for the Construction of Extended π-Conjugated Materials","Journal of Organic Chemistry","2010","75","","3350","3357","10.1021/jo100323s","","","0.71073","MoKα","","0.1124","0.0505","","","0.1084","0.126","","","","","","1.001","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025424","9.0554","0.0014","15.049","0.002","17.184","0.002","90.452","0.011","100.466","0.011","97.404","0.012","2282.4","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H60 N6 O2 -","- C50 H60 N6 O2 -","- C100 H120 N12 O4 -","2","1","","Chenyi Yi; Carmen Blum; Mario Lehmann; Stephan Keller; Shi-Xia Liu; Gabriela Frei; Antonia Neels; Jürg Hauser; Stefan Schürch; Silvio Decurtins","Versatile Strategy To Access Fully Functionalized Benzodifurans: Redox-Active Chromophores for the Construction of Extended π-Conjugated Materials","Journal of Organic Chemistry","2010","75","","3350","3357","10.1021/jo100323s","","","0.71073","MoKα","","0.3153","0.105","","","0.2418","0.3274","","","","","","0.753","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025425","15.8793","0.0018","8.523","0.0007","33.307","0.004","90","","91.269","0.009","90","","4506.6","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 N6 O2 -","- C50 H64 N6 O2 -","- C200 H256 N24 O8 -","4","1","","Chenyi Yi; Carmen Blum; Mario Lehmann; Stephan Keller; Shi-Xia Liu; Gabriela Frei; Antonia Neels; Jürg Hauser; Stefan Schürch; Silvio Decurtins","Versatile Strategy To Access Fully Functionalized Benzodifurans: Redox-Active Chromophores for the Construction of Extended π-Conjugated Materials","Journal of Organic Chemistry","2010","75","","3350","3357","10.1021/jo100323s","","","0.71073","MoKα","","0.3432","0.0945","","","0.2121","0.302","","","","","","0.71","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025426","13.8917","0.0005","10.9827","0.0004","15.1006","0.0005","90","","115.647","0.002","90","","2076.89","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 N6 O2 -","- C46 H60 N6 O2 -","- C92 H120 N12 O4 -","2","0.5","","Chenyi Yi; Carmen Blum; Mario Lehmann; Stephan Keller; Shi-Xia Liu; Gabriela Frei; Antonia Neels; Jürg Hauser; Stefan Schürch; Silvio Decurtins","Versatile Strategy To Access Fully Functionalized Benzodifurans: Redox-Active Chromophores for the Construction of Extended π-Conjugated Materials","Journal of Organic Chemistry","2010","75","","3350","3357","10.1021/jo100323s","","","0.71073","MoKα","","0.0716","0.0482","","","0.1273","0.1431","","","","","","1.042","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025427","11.9998","0.001","11.1729","0.0007","16.9883","0.0014","90","","101.551","0.003","90","","2231.5","0.3","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 B O2 -","- C25 H31 B O2 -","- C100 H124 B4 O8 -","4","1","","Kohei Endo; Munenao Hirokami; Takanori Shibata","Stereoselective Synthesis of Tetrasubstituted Alkenylboronates via 1,1-Organodiboronates","Journal of Organic Chemistry","2010","75","","3469","3472","10.1021/jo1003407","","","0.71075","MoKα","","","0.0492","","","","0.0696","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025428","8.7496","0.0004","12.292","0.0007","17.7704","0.0008","90","","98.0053","0.0011","90","","1892.58","0.16","296","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","1","","Wangze Song; Wei Lu; Jing Wang; Ping Lu; Yanguang Wang","A Facile Route to γ-Nitro Imidates via Four-Component Reaction of Alkynes with Sulfonyl Azides, Alcohols, and Nitroolefins","Journal of Organic Chemistry","2010","75","","3481","3483","10.1021/jo100354h","","","0.71075","MoKα","","","0.0385","","","","0.0879","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025429","10.2576","0.0006","12.675","0.0007","12.9218","0.0008","95.278","0.001","110.776","0.001","108.459","0.001","1449.9","0.15","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C76 H72 N8 -","4","2","","Nitin T. Patil; Rahul D. Kavthe; Valmik S. Shinde; Balasubramanian Sridhar","Pt(IV)-Catalyzed Hydroamination Triggered Cyclization: A Strategy to Fused Pyrrolo[1,2-a]quinoxalines, Indolo[1,2-a]quinoxalines, and Indolo[3,2-c]quinolines","Journal of Organic Chemistry","2010","75","","3371","3380","10.1021/jo100373w","","","0.71073","MoKα","","0.0453","0.0405","","","0.1054","0.1092","","","","","","1.015","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025430","8.1163","0.0007","8.4645","0.0007","11.6804","0.0009","98.359","0.001","101.378","0.001","109.283","0.001","723.07","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","1","","Nitin T. Patil; Rahul D. Kavthe; Valmik S. Shinde; Balasubramanian Sridhar","Pt(IV)-Catalyzed Hydroamination Triggered Cyclization: A Strategy to Fused Pyrrolo[1,2-a]quinoxalines, Indolo[1,2-a]quinoxalines, and Indolo[3,2-c]quinolines","Journal of Organic Chemistry","2010","75","","3371","3380","10.1021/jo100373w","","","0.71073","MoKα","","0.0459","0.0431","","","0.1137","0.1176","","","","","","1.029","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025431","10.29","0.002","11.499","0.002","18.124","0.004","96.42","0.03","100.91","0.03","109.24","0.03","1952.7","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 Br O3 -","- C22 H21 Br O3 -","- C88 H84 Br4 O12 -","4","2","","Yazhou Wang; Haifeng Du","A Copper(II)-Mediated Regioselective Cyclization-Acetoxylation of 6,8-Dien-1-ones for the Synthesis of Functionalized Cyclopentanes","Journal of Organic Chemistry","2010","75","","3503","3506","10.1021/jo100413p","","","0.71073","MoKα","","0.0727","0.0571","","","0.1356","0.1449","","","","","","1.094","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025432","8.56","0.0006","8.7553","0.0006","10.5123","0.0007","110.471","0.002","97.296","0.002","98.322","0.002","716.79","0.09","103","2","103","2","","","","","","","synthesized","5","P -1","-P 1","2","1-O-Tosyl-2-(acetamido)phenol","","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C30 H30 N2 O8 S2 -","2","1","","Takao Yamaguchi; Dusan Hesek; Mijoon Lee; Allen G. Oliver; Shahriar Mobashery","Sulfonylation-Induced N- to O-Acetyl Migration in 2-Acetamidoethanol Derivatives","Journal of Organic Chemistry","2010","75","","3515","3517","10.1021/jo100456z","","x-ray","1.54178","CuKα","","0.0339","0.0337","","","0.0888","0.0889","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025433","9.6175","0.001","12.5672","0.0012","12.7864","0.0014","105.959","0.002","106.957","0.002","109.062","0.002","1274.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27 N O -","- C34 H27 N O -","- C68 H54 N2 O2 -","2","1","","Guijie Li; Yuanhong Liu","Gold-Catalyzed Intramolecular Indole/Alkyne Cyclization Cascades through a Heterolytic Fragmentation: 1,5-Indole Migration and Allenylation","Journal of Organic Chemistry","2010","75","","3526","3528","10.1021/jo1005125","","","0.71073","MoKα","","0.1554","0.0494","","","0.1073","0.1784","","","","","","0.865","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025434","9.7594","0.001","18.7562","0.0019","15.1482","0.0016","90","","103.799","0.002","90","","2692.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 N O2 -","- C35 H29 N O2 -","- C140 H116 N4 O8 -","4","1","","Guijie Li; Yuanhong Liu","Gold-Catalyzed Intramolecular Indole/Alkyne Cyclization Cascades through a Heterolytic Fragmentation: 1,5-Indole Migration and Allenylation","Journal of Organic Chemistry","2010","75","","3526","3528","10.1021/jo1005125","","","0.71073","MoKα","","0.1133","0.0468","","","0.0819","0.1011","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025435","10.1157","0.0019","10.7","0.002","11.006","0.002","88.025","0.004","78.525","0.004","62.262","0.003","1031","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 Cl3 N2 O2 -","- C21 H25 Cl3 N2 O2 -","- C42 H50 Cl6 N4 O4 -","2","1","","Gopal Sirasani; Tapas Paul; William Dougherty; Scott Kassel; Rodrigo B. Andrade","Concise Total Syntheses of (\±)-Strychnine and (\±)-Akuammicine","Journal of Organic Chemistry","2010","75","","3529","3532","10.1021/jo100516g","","","0.71073","MoKα","","0.1035","0.0625","","","0.1565","0.1788","","","","","","1.04","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025436","20.2466","0.0014","14.2736","0.001","24.141","0.0016","90","","96.01","0.001","90","","6938.2","0.8","173","1","173","1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C146 H194 Cl6 O14 -","- C146 H194 Cl6 O14 -","- C292 H388 Cl12 O28 -","2","1","","Norbert Itzhak; Silvio E. Biali","Selective Functionalization of a Single Methylene Bridge of a Calix[6]arene","Journal of Organic Chemistry","2010","75","","3437","3442","10.1021/jo1005476","","","0.71073","MoKα","","0.114","0.0812","","","0.2067","0.2274","","","","","","1.049","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025437","13.56","0.004","11.064","0.003","15.483","0.004","90","","111.043","0.003","90","","2168","1","143.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H58 N2 O6 -","- C50 H58 N2 O6 -","- C100 H116 N4 O12 -","2","0.5","","Koji Miki; Michiyasu Fujita; Yuki Inoue; Yoshinori Senda; Toshiyuki Kowada; Kouichi Ohe","Synthesis of Strained Pyridine-Containing Cyclyne via Reductive Aromatization","Journal of Organic Chemistry","2010","75","","3537","3540","10.1021/jo1006202","","","0.7107","MoKα","","","0.0363","","","","0.0457","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025438","9.59","0.009","10.948","0.009","15.807","0.014","90","","103.023","0.013","90","","1617","2","143.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 N2 O6 -","- C38 H34 N2 O6 -","- C76 H68 N4 O12 -","2","0.5","","Koji Miki; Michiyasu Fujita; Yuki Inoue; Yoshinori Senda; Toshiyuki Kowada; Kouichi Ohe","Synthesis of Strained Pyridine-Containing Cyclyne via Reductive Aromatization","Journal of Organic Chemistry","2010","75","","3537","3540","10.1021/jo1006202","","","0.7107","MoKα","","","0.0557","","","","0.06","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025439","13.607","0.012","14.229","0.011","16.383","0.013","94.071","0.007","105.328","0.011","106.621","0.011","2894","4","143.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H51 N3 O9 -","- C60 H57 N3 O12 -","- C120 H114 N6 O24 -","2","1","","Koji Miki; Michiyasu Fujita; Yuki Inoue; Yoshinori Senda; Toshiyuki Kowada; Kouichi Ohe","Synthesis of Strained Pyridine-Containing Cyclyne via Reductive Aromatization","Journal of Organic Chemistry","2010","75","","3537","3540","10.1021/jo1006202","","","0.7107","MoKα","","","0.1079","","","","0.1111","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025440","9.005","0.003","16.454","0.005","17.343","0.005","78.977","0.01","88.847","0.011","87.54","0.01","2519.8","1.4","143.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C106 H74 Cl18 N4 O8 -","- C106 H74 Cl18 N4 O8 -","- C106 H74 Cl18 N4 O8 -","1","0.5","","Koji Miki; Michiyasu Fujita; Yuki Inoue; Yoshinori Senda; Toshiyuki Kowada; Kouichi Ohe","Synthesis of Strained Pyridine-Containing Cyclyne via Reductive Aromatization","Journal of Organic Chemistry","2010","75","","3537","3540","10.1021/jo1006202","","","0.7107","MoKα","","","0.1512","","","","0.2282","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025441","10.162","0.002","11.882","0.003","15.104","0.005","90","","90","","90","","1823.7","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Xiaocong Xie; Zhe Yang; Joseph M. Fox","Stereospecific Synthesis of Alkylidenecyclopropanes via Sequential Cyclopropene Carbomagnesation/1,3-Carbon Shift","Journal of Organic Chemistry","2010","75","","3847","3850","10.1021/jo1002938","","","0.71073","MoKα","","0.1116","0.0496","","","0.0831","0.1002","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025442","11.8985","0.001","10.8903","0.0008","11.9769","0.0008","90","","110.144","0.002","90","","1457.01","0.19","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H39 N O5 S Si -","- C25 H43 N O5 S Si -","- C50 H86 N2 O10 S2 Si2 -","2","1","","Shingo Ishikawa; Fumiaki Noguchi; Akio Kamimura","Asymmetric Synthesis of 2-Alkyl-Substituted 2,5-Dihydropyrroles from Optically Active Aza-Baylis-Hillman Adducts. Formal Synthesis of (-)-Trachelanthamidine.","Journal of Organic Chemistry","2010","75","","3578","3586","10.1021/jo100315j","","","0.71075","MoKα","","","0.0651","","","","0.0381","","","","","","3.478","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025443","5.6096","0.001","13.645","0.002","23.142","0.004","90","","90","","90","","1771.4","0.5","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl_amine","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl amine","","- C14 H21 N O9 -","- C14 H21 N O9 -","- C56 H84 N4 O36 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.0749","0.037","","","0.062","0.0712","","","","","","0.727","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025444","7.3136","0.001","14.757","0.002","15.839","0.002","90","","90","","90","","1709.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acteyl-<i>β</i>-D-glucopyranosyl_isocyanate","2,3,4,6-tetra-<i>O</i>-acteyl-<i>β</i>-D-glucopyranosyl isocyanate","","- C15 H19 N O10 -","- C15 H19 N O10 -","- C60 H76 N4 O40 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.0809","0.0433","","","0.0848","0.0987","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025445","7.3509","0.0004","14.7643","0.0007","15.9289","0.0008","90","","90","","90","","1728.78","0.15","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl_azide","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl azide","","- C14 H19 N3 O9 -","- C14 H19 N3 O9 -","- C56 H76 N12 O36 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.042","0.0387","","","0.0938","0.0953","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025446","8.9267","0.0013","10.1168","0.0014","19.871","0.003","90","","90","","90","","1794.5","0.5","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-galactopyranosyl_azide","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-galactopyranosyl azide","","- C14 H19 N3 O9 -","- C14 H19 N3 O9 -","- C56 H76 N12 O36 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.0578","0.0356","","","0.0613","0.0662","","","","","","0.896","","","","has coordinates","287905","2023-11-30","18:01:52",""
"4025447","7.352","0.014","7.528","0.014","45.19","0.08","90","","90.33","0.03","90","","2501","8","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H31 Br O8 S -","- C25 H31 Br O8 S -","- C100 H124 Br4 O32 S4 -","4","2","","Shiharu Hiraoka; Shinji Harada; Atsushi Nishida","Catalytic Enantioselective Total Synthesis of (-)-Platyphyllide and Its Structural Revision","Journal of Organic Chemistry","2010","75","","3871","3874","10.1021/jo1003746","","","0.71073","MoKα","","0.0947","0.0636","","","0.1656","0.194","","","","","","0.923","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025448","7.5286","0.0007","14.7366","0.0014","25.678","0.003","90","","90","","90","","2848.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O -","- C18 H17 N O -","- C144 H136 N8 O8 -","8","1","","Lei Zhang; Deju Ye; Yu Zhou; Guannan Liu; Enguang Feng; Hualiang Jiang; Hong Liu","Regioselective Synthesis of 3-Benzazepinones and Unexpected 5-Bromo-3-benzazepinones","Journal of Organic Chemistry","2010","75","","3671","3677","10.1021/jo100378u","","","0.71073","MoKα","","0.0723","0.0549","","","0.144","0.1541","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025449","12.744","0.0012","14.3064","0.0014","17.7456","0.0017","90","","105.566","0.002","90","","3116.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O -","- C18 H16 Br N O -","- C144 H128 Br8 N8 O8 -","8","2","","Lei Zhang; Deju Ye; Yu Zhou; Guannan Liu; Enguang Feng; Hualiang Jiang; Hong Liu","Regioselective Synthesis of 3-Benzazepinones and Unexpected 5-Bromo-3-benzazepinones","Journal of Organic Chemistry","2010","75","","3671","3677","10.1021/jo100378u","","","0.71073","MoKα","","0.0774","0.0402","","","0.0885","0.0945","","","","","","0.869","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025450","13.15","0.03","12.75","0.03","14.29","0.03","90","","114.524","0.015","90","","2180","8","150.05","","150.05","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cl4 O10 P2 -","- C44 H40 Cl4 O10 P2 -","- C88 H80 Cl8 O20 P4 -","2","0.5","","Yasunobu Nishimura; Yuka Kawamura; Yutaka Watanabe; Minoru Hayashi","Bis-3-oxo-λ5-phosphole: Isolation, Structural Analyses, and Synthesis of Phosphorus-ylide Containing Conjugated Heterocycle","Journal of Organic Chemistry","2010","75","","3875","3877","10.1021/jo1004235","","","0.71069","MoKα","","0.1137","0.0847","","","0.2221","0.2438","","","","","","1.112","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025451","11.064","0.017","9.94","0.015","16.43","0.02","90","","99.82","0.016","90","","1780","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O6 -","- C15 H21 N O6 -","- C60 H84 N4 O24 -","4","2","","Taotao Ling; Barbara C. Potts; Venkat R. Macherla","Concise Formal Synthesis of (-)-Salinosporamide A (Marizomib) Using a Regio- and Stereoselective Epoxidation and Reductive Oxirane Ring-Opening Strategy","Journal of Organic Chemistry","2010","75","","3882","3885","10.1021/jo100432g","","","0.71073","MoKα","","0.0489","0.0474","","","0.1314","0.134","","","","","","1.031","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025452","35.58","0.05","7.01","0.005","14.043","0.01","90","","96.245","0.006","90","","3482","6","210.1","","210.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O4 S -","- C20 H17 N O4 S -","- C160 H136 N8 O32 S8 -","8","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.052","","","","0.142","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025453","13.88","0.03","6.535","0.009","21.02","0.07","90","","108.24","0.03","90","","1811","8","100.1","","100.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C84 H84 N4 O16 S4 -","4","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.051","","","","0.15","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025454","15.99","0.01","6.294","0.005","20.54","0.04","90","","108.204","0.012","90","","1964","4","150.1","","150.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.034","","","","0.078","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025455","7.662","0.01","11.926","0.009","22.09","0.03","85.78","0.06","89.24","0.06","82.34","0.06","1995","4","150.1","","150.1","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","2","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.056","","","","0.179","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025456","8.614","0.001","5.7613","0.0007","16.5693","0.0019","90","","93.186","0.002","90","","821.03","0.17","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 N O2 P -","- C16 H24 N O2 P -","- C32 H48 N2 O4 P2 -","2","1","","Gang Wang; Ruwei Shen; Qing Xu; Midori Goto; Yufen Zhao; Li-Biao Han","Stereospecific Coupling of H-Phosphinates and Secondary Phosphine Oxides with Amines and Alcohols: A General Method for the Preparation of Optically Active Organophosphorus Acid Derivatives","Journal of Organic Chemistry","2010","75","","3890","3892","10.1021/jo100473s","","","0.71073","MoKα","","0.0381","0.0376","","","0.1032","0.1042","","","","","","0.983","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025457","9.0602","0.0005","15.1638","0.001","30.002","0.002","90","","90","","90","","4121.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H22 Cl N O4 S -","- C22 H22 Cl N O4 S -","- C176 H176 Cl8 N8 O32 S8 -","8","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","0.71073","MoKα","","0.064","0.0548","","","0.1152","0.1201","","","","","","1.199","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025458","10.5536","0.0004","9.3266","0.0002","19.9006","0.0008","90","","100.196","0.0014","90","","1927.87","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O3 S -","- C22 H22 N2 O3 S -","- C88 H88 N8 O12 S4 -","4","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","0.71073","MoKα","","0.0689","0.0521","","","0.1118","0.1252","","","","","","1.069","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025459","9.0001","0.0002","10.1935","0.0002","12.2097","0.0002","99.289","0.001","110.667","0.001","90.049","0.001","1032.29","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C46 H50 N2 O10 S2 -","2","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","1.54178","CuKα","","0.0359","0.0344","","","0.0938","0.095","","","","","","1.055","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025460","9.4824","0.0003","8.168","0.0003","24.3164","0.0005","90","","98.271","0.0018","90","","1863.77","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C84 H76 Cl4 N8 O8 S4 -","4","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","0.71073","MoKα","","0.0538","0.0439","","","0.1049","0.1127","","","","","","1.062","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025461","10.7942","0.0003","11.7746","0.0003","14.5883","0.0004","90","","97.065","0.0019","90","","1840.06","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C84 H72 N8 O8 S4 -","4","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","0.71073","MoKα","","0.059","0.0457","","","0.106","0.1174","","","","","","1.057","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025462","6.9411","0.0008","9.266","0.0011","10.4142","0.0012","98.81","0.001","101.15","0.001","109.229","0.001","603.26","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C24 H36 O8 -","2","1","","Satomi Niwayama; Hanjoung Cho; Masoud Zabet-Moghaddam; Bruce R. Whittlesey","Remote Exo/Endo Selectivity in Selective Monohydrolysis of Dialkyl Bicyclo[2.2.1]heptane-2,3-dicarboxylate Derivatives","Journal of Organic Chemistry","2010","75","","3775","3780","10.1021/jo100564e","","","0.71073","MoKα","","0.0636","0.0504","","","0.1428","0.1544","","","","","","1.056","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025463","15.8354","0.0002","15.6986","0.0002","8.4557","0.0001","90","","90","","90","","2102.03","0.05","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H12 Cl2 N6 O4 -","- C20 H12 Cl2 N6 O4 -","- C80 H48 Cl8 N24 O16 -","4","0.5","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.0527","0.0457","","","0.1103","0.1178","","","","","","1.053","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025464","8.0502","0.0016","10.501","0.002","11.409","0.002","117.05","0.03","94.98","0.03","99.2","0.03","833.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 N8 O4 -","- C34 H44 N8 O4 -","- C34 H44 N8 O4 -","1","0.5","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.1083","0.0856","","","0.2196","0.2388","","","","","","1.173","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025465","8.3378","0.0017","10.574","0.002","12.317","0.003","72.71","0.03","75.53","0.03","88.81","0.03","1002.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl2 N8 O2 -","- C20 H14 Cl2 N8 O2 -","- C40 H28 Cl4 N16 O4 -","2","1","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.0737","0.0577","","","0.1639","0.1724","","","","","","1.26","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025466","13.863","0.003","16.948","0.003","13.615","0.003","90","","118.94","0.03","90","","2799.4","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N10 O2 -","- C27.736 H33.34 N10 O2 -","- C110.944 H133.36 N40 O8 -","4","1","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.102","0.0718","","","0.1794","0.194","","","","","","1.249","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025467","9.3195","0.0019","26.6","0.005","12.98","0.003","90","","103.64","0.03","90","","3127","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N10 O2 -","- C30 H38 N10 O2 -","- C120 H152 N40 O8 -","4","1","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.1472","0.0777","","","0.1732","0.206","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025468","7.9477","0.0016","15.796","0.003","26.207","0.005","85.58","0.03","83.92","0.03","89.73","0.03","3261.8","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H174 N48 O8 -","- C120 H174 N48 O8 -","- C120 H174 N48 O8 -","1","0.5","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.1298","0.0841","","","0.1471","0.1618","","","","","","1.196","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025469","23.065","0.005","8.4644","0.0017","17.376","0.004","90","","98.53","0.03","90","","3354.8","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 N12 O2 S2 -","- C30 H44 N12 O2 S2 -","- C120 H176 N48 O8 S8 -","4","0.5","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.1103","0.0603","","","0.1418","0.1703","","","","","","0.959","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025470","11.901","0.002","11.962","0.002","17.577","0.004","90.87","0.03","108.35","0.03","116.8","0.03","2083.1","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 Cl2 N10 -","- C48 H40 Cl2 N10 -","- C96 H80 Cl4 N20 -","2","1","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71069","MoKα","","0.0767","0.0575","","","0.1131","0.1199","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025471","10.748","0.002","11.622","0.002","12.647","0.003","115.77","0.03","98.47","0.03","103.57","0.03","1325.7","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H64 N12 -","- C58 H64 N12 -","- C58 H64 N12 -","1","0.5","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.165","0.0991","","","0.2256","0.2518","","","","","","1.284","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025472","10.157","0.002","18.673","0.004","12.825","0.003","90","","95.33","0.03","90","","2421.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl2 N8 O2 -","- C23 H18 Cl2 N8 O2 -","- C92 H72 Cl8 N32 O8 -","4","1","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.098","0.0565","","","0.1526","0.1738","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025473","9.74","0.0015","9.753","0.0014","31.78","0.004","90","","90","","90","","3018.9","0.7","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Mercedes Amat; Robert Fabregat; Rosa Griera; Pedro Florindo; Elies Molins; Joan Bosch","Biomimetic Construction of the Hydroquinoline Ring System. Diastereodivergent Enantioselective Synthesis of 2,5-Disubstitutedcis-Decahydroquinolines","Journal of Organic Chemistry","2010","75","","3797","3805","10.1021/jo1005894","","x-ray","0.71073","MoKα","","0.0818","0.0587","","","0.1816","0.2201","","","","","","1.079","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025474","7.863","0.006","13.811","0.009","14.249","0.009","90","","90","","90","","1547.4","1.8","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Mercedes Amat; Robert Fabregat; Rosa Griera; Pedro Florindo; Elies Molins; Joan Bosch","Biomimetic Construction of the Hydroquinoline Ring System. Diastereodivergent Enantioselective Synthesis of 2,5-Disubstitutedcis-Decahydroquinolines","Journal of Organic Chemistry","2010","75","","3797","3805","10.1021/jo1005894","","x-ray","0.71073","MoKα","","0.0386","0.0294","","","0.0657","0.0702","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025475","10.158","0.009","16.049","0.013","11.66","0.004","90","","114.66","0.04","90","","1728","2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C34 H62 N2 O6 -","- C34 H62 N2 O6 -","- C68 H124 N4 O12 -","2","1","","Mercedes Amat; Robert Fabregat; Rosa Griera; Pedro Florindo; Elies Molins; Joan Bosch","Biomimetic Construction of the Hydroquinoline Ring System. Diastereodivergent Enantioselective Synthesis of 2,5-Disubstitutedcis-Decahydroquinolines","Journal of Organic Chemistry","2010","75","","3797","3805","10.1021/jo1005894","","x-ray","0.71073","MoKα","","0.1621","0.0736","","","0.1732","0.2087","","","","","","0.935","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025476","7.2356","0.0009","8.6888","0.001","12.3053","0.0015","70.908","0.002","79.266","0.002","84.473","0.002","717.75","0.15","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H12 O3 -","- C21 H12 O3 -","- C42 H24 O6 -","2","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0581","0.0503","","","0.1297","0.1356","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025477","12.014","0.003","8.101","0.002","16.536","0.004","90","","110.458","0.004","90","","1507.9","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O4 -","- C21 H14 O4 -","- C84 H56 O16 -","4","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0938","0.0613","","","0.1512","0.1709","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025478","11.4683","0.0016","9.2237","0.0013","40.205","0.006","90","","90","","90","","4252.9","1.1","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H18 O4 -","- C28 H18 O4 -","- C224 H144 O32 -","8","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0962","0.057","","","0.1125","0.128","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025479","9.3174","0.0013","18.788","0.003","11.7533","0.0017","90","","92.464","0.002","90","","2055.6","0.5","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 O4 -","- C28 H18 O4 -","- C112 H72 O16 -","4","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0773","0.0554","","","0.1426","0.1584","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025480","9.0408","0.0014","11.148","0.0018","11.3313","0.0018","108.94","0.002","102.277","0.002","91.844","0.002","1049.2","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C56 H40 O8 -","2","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0774","0.0599","","","0.151","0.1647","","","","","","1.022","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025481","11.72","0.002","16.457","0.003","8.8734","0.0017","90","","108.757","0.002","90","","1620.6","0.5","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0692","0.0538","","","0.1263","0.134","","","","","","1.083","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025482","9.9315","0.0011","14.2636","0.0015","21.545","0.002","90","","90.258","0.001","90","","3052","0.5","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C176 H112 O24 -","8","2","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0679","0.0491","","","0.1138","0.1241","","","","","","1.02","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025483","9.1974","0.0005","12.9246","0.0004","21.2362","0.001","90","","98.322","0.0019","90","","2497.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F12 N2 O3 S -","- C22 H14 F12 N2 O3 S -","- C88 H56 F48 N8 O12 S4 -","4","1","","Ali Rostami; Alexis Colin; Xiao Yu Li; Michael G. Chudzinski; Alan J. Lough; Mark S. Taylor","N,N'-Diarylsquaramides: General, High-Yielding Synthesis and Applications in Colorimetric Anion Sensing","Journal of Organic Chemistry","2010","75","","3983","3992","10.1021/jo100104g","","","0.71073","MoKα","","0.1114","0.0565","","","0.1397","0.1737","","","","","","1.039","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025484","4.9867","0.0005","18.6517","0.0015","13.546","0.0012","90","","97.4","0.004","90","","1249.4","0.2","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O4 S2 -","- C24 H32 N2 O4 S2 -","- C48 H64 N4 O8 S4 -","2","1","","Ali Rostami; Alexis Colin; Xiao Yu Li; Michael G. Chudzinski; Alan J. Lough; Mark S. Taylor","N,N'-Diarylsquaramides: General, High-Yielding Synthesis and Applications in Colorimetric Anion Sensing","Journal of Organic Chemistry","2010","75","","3983","3992","10.1021/jo100104g","","","0.71073","MoKα","","0.1474","0.0627","","","0.1299","0.1695","","","","","","1.013","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025485","9.753","0.0005","10.7244","0.0004","12.2426","0.0006","90","","112.171","0.004","90","","1185.84","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Co N2 -","- C15 H13 Co N2 -","- C60 H52 Co4 N8 -","4","1","","Marko Hapke; Karolin Kral; Christine Fischer; Anke Spannenberg; Andrey Gutnov; Dmitry Redkin; Barbara Heller","Asymmetric Synthesis of Axially Chiral 1-Aryl-5,6,7,8-tetrahydroquinolines by Cobalt-Catalyzed [2 + 2 + 2] Cycloaddition Reaction of 1-Aryl-1,7-octadiynes and Nitriles","Journal of Organic Chemistry","2010","75","","3993","4003","10.1021/jo100122d","","","0.71073","MoKα","","0.0327","0.025","","","0.0635","0.0654","","","","","","1.032","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025486","9.3452","0.0015","22.046","0.003","12.0229","0.0016","90","","102.148","0.009","90","","2421.5","0.6","90","0.5","90","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 N5 -","- C33 H23 N5 -","- C132 H92 N20 -","4","1","","Laura Anderson; Mingzhou Zhou; Vasudha Sharma; Jillian M. McLaughlin; Daniel N. Santiago; Frank R. Fronczek; Wayne C. Guida; Mark L. McLaughlin","Facile Iterative Synthesis of 2,5-Terpyrimidinylenes as Nonpeptidic α-Helical Mimics","Journal of Organic Chemistry","2010","75","","4288","4291","10.1021/jo100272d","","","0.71073","MoKα","","0.076","0.047","","","0.099","0.11","","","","","","1.068","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025487","12.3478","0.0009","12.9571","0.0009","17.9538","0.0011","105.256","0.005","92.264","0.005","91.059","0.005","2767.8","0.3","90","0.5","90","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C33 H31 N7 -","- C33 H31 N7 -","- C132 H124 N28 -","4","2","","Laura Anderson; Mingzhou Zhou; Vasudha Sharma; Jillian M. McLaughlin; Daniel N. Santiago; Frank R. Fronczek; Wayne C. Guida; Mark L. McLaughlin","Facile Iterative Synthesis of 2,5-Terpyrimidinylenes as Nonpeptidic α-Helical Mimics","Journal of Organic Chemistry","2010","75","","4288","4291","10.1021/jo100272d","","","1.54178","CuKα","","0.043","0.037","","","0.093","0.097","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025488","13.7601","0.0006","14.4788","0.0005","16.27","0.0007","98.308","0.002","92.409","0.002","98.66","0.002","3164.1","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H56 F12 N12 O3 P2 Ru -","- C55 H56 F12 N12 O3 P2 Ru -","- C110 H112 F24 N24 O6 P4 Ru2 -","2","1","","Bobby Happ; Daniel Escudero; Martin D. Hager; Christian Friebe; Andreas Winter; Helmar Görls; Esra Altuntaş; Leticia González; Ulrich S. Schubert","N-Heterocyclic Donor- and Acceptor-Type Ligands Based on 2-(1H-[1,2,3]Triazol-4-yl)pyridines and Their Ruthenium(II) Complexes","Journal of Organic Chemistry","2010","75","","4025","4038","10.1021/jo100286r","","","0.71073","MoKα","","0.1779","0.0893","","","0.2247","0.2681","","","","","","1.047","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4025489","16.1087","0.0002","17.1285","0.0003","24.1506","0.0004","90","","90","","90","","6663.58","0.18","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 N5 O12 S -","- C34 H29 N5 O12 S -","- C272 H232 N40 O96 S8 -","8","2","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Unusual Aryl Migration in a Mesomeric Betaine in the Solid and Liquid State: Mechanistic Insights into the SNAr Reaction","Journal of Organic Chemistry","2010","75","","4300","4303","10.1021/jo100350t","","","0.71073","MoKα","","0.1049","0.067","","","0.1073","0.1219","","","","","","1.114","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025490","16.992","0.0018","10.2389","0.0011","24.0163","0.0018","90","","123.714","0.005","90","","3475.6","0.6","185","2","185","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C67 H8 -","- C67 H8 -","- C268 H32 -","4","1","","Wei-Wei Yang; Zong-Jun Li; Xiang Gao","Reaction of C602- with Organic Halides Revisited in DMF: Proton Transfer from Water to RC60- and Unexpected Formation of 1,2-Dihydro[60]fullerenes","Journal of Organic Chemistry","2010","75","","4086","4094","10.1021/jo100430a","","","0.71073","MoKα","","0.1282","0.0744","","","0.1917","0.2144","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025491","9.34192","0.00018","18.5967","0.0004","19.3112","0.0004","90","","90","","90","","3354.91","0.12","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H51 N O4 -","- C35 H51 N O4 -","- C140 H204 N4 O16 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0498","","","","0.1564","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025492","10.71305","0.00019","10.9563","0.0002","28.0088","0.0005","90","","90","","90","","3287.54","0.1","295.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H51 N O4 -","- C35 H51 N O4 -","- C140 H204 N4 O16 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0598","","","","0.147","","","","","","1.183","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025493","29.1468","0.0005","8.29097","0.00015","15.9705","0.0003","90","","111.328","0.0007","90","","3595.05","0.11","299.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H51 N O6 -","- C36 H51 N O6 -","- C144 H204 N4 O24 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0427","","","","0.1169","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025494","9.6799","0.0002","18.7383","0.0003","22.5187","0.0004","90","","90","","90","","4084.55","0.13","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H63 N O8 -","- C40 H63 N O8 -","- C160 H252 N4 O32 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0511","","","","0.1507","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025495","6.79","0.014","20.97","0.05","35.56","0.09","90","","90","","90","","5063","2","173.1","","","","","","","","","","","3","I b c a","-I 2b 2c","73","","","","- C32 H24 N2 -","- C32 H26 N2 O -","- C256 H208 N16 O8 -","8","0.5","","Masahiro Yoshimura; Toshimitsu Muraoka; Hiroshi Nakatsuka; Hanmin Huang; Masato Kitamura","Synthesis of 3,3'-Diaryl-Substituted 2,2'-Diamino-1,1'-binaphthyl and Its Derivatives","Journal of Organic Chemistry","2010","75","","4315","4318","10.1021/jo100638j","","","0.7107","MoKα","","","0.079","","","","0.062","","","","","","5.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025496","5.7403","0.0007","14.5577","0.0016","10.3708","0.0011","90","","101.304","0.002","90","","849.83","0.17","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","","Soumitra Maity; Kiran Matcha; Subrata Ghosh","Synthetic Studies on Schisandra nortriterpenoids. Stereocontrolled Synthesis of Enantiopure C-5-epiABC Ring Systems of Micrandilactone A and Lancifodilactone G Using RCM","Journal of Organic Chemistry","2010","75","","4192","4200","10.1021/jo1006448","","","0.71073","MoKα","","0.0364","0.0332","","","0.0791","0.0811","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025497","18.25","0.003","5.7487","0.001","18.732","0.003","90","","106.099","0.004","90","","1888.2","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H20 Br O3 -","- C20 H20 Br O3 -","- C80 H80 Br4 O12 -","4","1","","Soumitra Maity; Kiran Matcha; Subrata Ghosh","Synthetic Studies on Schisandra nortriterpenoids. Stereocontrolled Synthesis of Enantiopure C-5-epiABC Ring Systems of Micrandilactone A and Lancifodilactone G Using RCM","Journal of Organic Chemistry","2010","75","","4192","4200","10.1021/jo1006448","","","0.71073","MoKα","","0.0909","0.0601","","","0.1566","0.1691","","","","","","1.027","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025498","8.631","0.0017","13.985","0.003","12.831","0.003","90","","104.59","0.03","90","","1498.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C80 H52 N4 O8 -","4","1","","Chunhui Jiang; Min Xu; Shaozhong Wang; Huaqin Wang; Zhu-Jun Yao","Azaanthraquinone Assembly fromN-Propargylamino Quinone via a Au(I)-Catalyzed 6-endo-digCycloisomerization","Journal of Organic Chemistry","2010","75","","4323","4325","10.1021/jo1006637","","","0.71073","MoKα","","0.0916","0.0572","","","0.137","0.171","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025499","8.564","0.0001","11.1587","0.0001","20.5325","0.0003","90","","97.09","0.001","90","","1947.15","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N3 O6 -","- C18 H23 N3 O6 -","- C72 H92 N12 O24 -","4","1","","Rahman Shah Zaib Saleem; Jetze J. Tepe","Synthesis of 1,2,4-Triazolines and Triazoles Utilizing Oxazolones","Journal of Organic Chemistry","2010","75","","4330","4332","10.1021/jo100716m","","x-ray","0.71073","MoKα","","0.0612","0.0421","","","0.0959","0.1042","","","","","","1.063","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025500","7.9733","0.0001","12.4346","0.0002","8.8892","0.0001","90","","111.143","0.001","90","","821.99","0.02","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 -","- C9 H9 N3 -","- C36 H36 N12 -","4","1","","Rahman Shah Zaib Saleem; Jetze J. Tepe","Synthesis of 1,2,4-Triazolines and Triazoles Utilizing Oxazolones","Journal of Organic Chemistry","2010","75","","4330","4332","10.1021/jo100716m","","x-ray","1.54178","CuKα","","0.0396","0.0363","","","0.0998","0.1015","","","","","","1.669","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025501","7.521","0.01","9.936","0.012","18.87","0.02","90","","90","","90","","1410","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","","Yongquan Sun; Binxun Yu; Xiaolei Wang; Shibing Tang; Xuegong She; Xinfu Pan","Stereoselective Syntheses of Four Diastereomers of 3,9,12-Trihydroxycalamenene via a Benzobicyclo[3.3.1] Intermediate","Journal of Organic Chemistry","2010","75","","4224","4229","10.1021/jo1008349","","","0.71073","MoKα","","0.075","0.0432","","","0.0724","0.079","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025502","30.216","0.005","10.1336","0.0014","20.831","0.003","90","","123.41","0.006","90","","5324.4","1.4","150","","150","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 N O3 P -","- C33 H28 N O3 P -","- C264 H224 N8 O24 P8 -","8","1","","Daniel J. St-Cyr; Marie S. T. Morin; Francine Bélanger-Gariépy; Bruce A. Arndtsen; Elizabeth H. Krenske; K. N. Houk","Phospha-Münchnones: Electronic Structures and 1,3-Dipolar Cycloadditions","Journal of Organic Chemistry","2010","75","","4261","4273","10.1021/jo1008383","","","1.54178","CuKα","","0.13","0.0606","","","0.1319","0.1692","","","","","","1.013","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025503","9.8196","0.0003","17.4712","0.0006","14.7758","0.0006","90","","96.005","0.002","90","","2521.03","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N O P -","- C33 H28 N O P -","- C132 H112 N4 O4 P4 -","4","1","","Daniel J. St-Cyr; Marie S. T. Morin; Francine Bélanger-Gariépy; Bruce A. Arndtsen; Elizabeth H. Krenske; K. N. Houk","Phospha-Münchnones: Electronic Structures and 1,3-Dipolar Cycloadditions","Journal of Organic Chemistry","2010","75","","4261","4273","10.1021/jo1008383","","","1.54178","CuKα","","0.0392","0.0345","","","0.0963","0.0992","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025504","13.8477","0.0007","8.6798","0.0006","15.4329","0.0008","90","","115.609","0.007","90","","1672.74","0.19","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Paresh Nath Chatterjee; Sujit Roy","Propargylic Activation Across a Heterobimetallic Ir-Sn Catalyst: Nucleophilic Substitution and Indene Formation with Propargylic Alcohols","Journal of Organic Chemistry","2010","75","","4413","4423","10.1021/jo100189z","","","0.71073","MoKα","","0.0386","0.0307","","","0.0819","0.084","","","","","","1.074","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025505","8.737","0.0008","19.4216","0.0018","10.0734","0.001","90","","114.92","0.002","90","","1550.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 O6 -","- C34 H38 O6 -","- C68 H76 O12 -","2","0.5","","Paresh Nath Chatterjee; Sujit Roy","Propargylic Activation Across a Heterobimetallic Ir-Sn Catalyst: Nucleophilic Substitution and Indene Formation with Propargylic Alcohols","Journal of Organic Chemistry","2010","75","","4413","4423","10.1021/jo100189z","","","0.71073","MoKα","","0.0866","0.0547","","","0.1343","0.1533","","","","","","0.999","","","","has coordinates","259535","2020-12-04","06:05:00",""
"4025506","10.924","","10.007","","20.702","","90","","102.35","","90","","2210.7","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C96 H108 N4 O20 S4 -","4","1","","Milan Bera; Sujit Roy","Silver(I)-Diene Complexes as Versatile Catalysts for the C-Arylation of N-Tosylaziridines: Mechanistic Insight from In Situ Diagnostics","Journal of Organic Chemistry","2010","75","","4402","4412","10.1021/jo100260k","","","0.71073","MoKα","","0.1737","0.0655","","","0.1295","0.1645","","","","","","0.977","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025507","14.5758","0.0003","9.37699","0.00017","28.4197","0.0009","90","","101.251","0.003","90","","3809.67","0.16","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","2","","Joanna M. Swarbrick; Piers R. J. Gaffney","Synthesis of 4-C-Alkyl Inositol 1,4,5-Trisphosphates and 1,3,4,5-Tetrakisphosphates","Journal of Organic Chemistry","2010","75","","4376","4386","10.1021/jo100414e","","","1.54184","CuKα","","0.1869","0.1157","","","0.3357","0.3561","","","","","","1.022","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025508","7.245","0.0004","10.7383","0.0007","11.5383","0.0006","90","","98.399","0.006","90","","888.04","0.09","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C48 H40 N4 -","2","1","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","0.71073","MoKα","","0.069","0.0557","","","0.1571","0.161","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025509","10.8387","0.0007","13.4389","0.0006","17.5331","0.0009","90","","101.608","0.005","90","","2501.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 N3 O2 -","- C34 H27 N3 O2 -","- C136 H108 N12 O8 -","4","1","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","0.71073","MoKα","","0.0756","0.0338","","","0.059","0.0635","","","","","","0.794","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025510","10.3238","0.0005","15.5018","0.0007","16.2068","0.0008","91.145","0.004","100.369","0.004","96.303","0.004","2533.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27 N3 O2 -","- C34 H27 N3 O2 -","- C136 H108 N12 O8 -","4","2","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","0.71073","MoKα","","0.0795","0.0392","","","0.0757","0.0819","","","","","","0.845","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025511","14.6807","0.0003","9.972","0.00013","15.8925","0.0004","90","","113.381","0.003","90","","2135.55","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H53 N3 O4 Si -","- C45 H53 N3 O4 Si -","- C90 H106 N6 O8 Si2 -","2","1","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","1.54184","CuKα","","0.0553","0.0471","","","0.1261","0.1317","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025512","10.3512","0.0005","13.8355","0.0006","32.124","0.0016","90","","97.07","0.004","90","","4565.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 N4 O6 Si -","- C52 H54 N4 O6 Si -","- C208 H216 N16 O24 Si4 -","4","1","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","0.71073","MoKα","","0.0796","0.0499","","","0.1165","0.1228","","","","","","1.039","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025513","11.119","0.005","5.023","0.002","14.212","0.007","90","","93.008","0.01","90","","792.7","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br N O S -","- C14 H18 Br N O S -","- C28 H36 Br2 N2 O2 S2 -","2","1","","Qing-Long Xu; Wen-Bo Liu; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Enantioselective Allylic Substitution of O-Allyl Carbamothioates","Journal of Organic Chemistry","2010","75","","4615","4618","10.1021/jo1006152","","","0.71073","MoKα","","0.1169","0.0677","","","0.1771","0.2149","","","","","","0.846","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025514","10.915","0.002","8.91","0.0018","23.635","0.005","90","","90","","90","","2298.6","0.8","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H21 N O6 -","- C9 H21 N O6 -","- C72 H168 N8 O48 -","8","1","","Yuanping Jie; Peter Livant; Hui Li; Minmin Yang; Wei Zhu; Vince Cammarata; Philip Almond; Tyler Sullens; Yu Qin; Eric Bakker","An Acyclic Trialkylamine Virtually Planar at Nitrogen. Some Chemical Consequences of Nitrogen Planarity","Journal of Organic Chemistry","2010","75","","4472","4479","10.1021/jo100628v","","","0.71073","MoKα","","0.0378","0.0361","","","0.1009","0.1032","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025515","6.8927","0.0004","8.2335","0.0005","11.2422","0.0007","92.285","0.001","102.847","0.001","91.282","0.001","621.22","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H22 Cl N O6 -","- C9 H22 Cl N O6 -","- C18 H44 Cl2 N2 O12 -","2","1","","Yuanping Jie; Peter Livant; Hui Li; Minmin Yang; Wei Zhu; Vince Cammarata; Philip Almond; Tyler Sullens; Yu Qin; Eric Bakker","An Acyclic Trialkylamine Virtually Planar at Nitrogen. Some Chemical Consequences of Nitrogen Planarity","Journal of Organic Chemistry","2010","75","","4472","4479","10.1021/jo100628v","","","0.71073","MoKα","","0.0313","0.0297","","","0.0831","0.0842","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025516","7.746","0.003","8.817","0.003","32.078","0.003","90","","90","","90","","2190.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O4 Si -","- C22 H25 N3 O4 Si -","- C88 H100 N12 O16 Si4 -","4","1","","Raudra T. Dey; Tarun K. Sarkar","On the [3 + 2] Annulation of Cyclic Allylsilanes with N-Phenyltriazolinedione: An Enantio- and Diastereoselective Synthesis of cis-1,3-Diaminocyclitols","Journal of Organic Chemistry","2010","75","","4521","4529","10.1021/jo100724w","","","0.71073","MoKα","","0.07","0.0452","","","0.1121","0.1258","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025517","6.7601","0.0006","14.6016","0.0013","20.2612","0.0018","90","","93.512","0.003","90","","1996.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N3 O3 Si -","- C21 H23 N3 O3 Si -","- C84 H92 N12 O12 Si4 -","4","1","","Raudra T. Dey; Tarun K. Sarkar","On the [3 + 2] Annulation of Cyclic Allylsilanes with N-Phenyltriazolinedione: An Enantio- and Diastereoselective Synthesis of cis-1,3-Diaminocyclitols","Journal of Organic Chemistry","2010","75","","4521","4529","10.1021/jo100724w","","","0.71073","MoKα","","0.1403","0.0729","","","0.1373","0.16","","","","","","1.056","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025518","6.984","0.005","28.198","0.005","10.424","0.005","90","0.005","92.444","0.005","90","0.005","2051","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O3 Si -","- C22 H25 N3 O3 Si -","- C88 H100 N12 O12 Si4 -","4","1","","Raudra T. Dey; Tarun K. Sarkar","On the [3 + 2] Annulation of Cyclic Allylsilanes with N-Phenyltriazolinedione: An Enantio- and Diastereoselective Synthesis of cis-1,3-Diaminocyclitols","Journal of Organic Chemistry","2010","75","","4521","4529","10.1021/jo100724w","","","0.71073","MoKα","","0.2088","0.1092","","","0.2936","0.344","","","","","","1.061","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025519","15.0742","0.0003","20.5227","0.0004","16.5372","0.0003","90","","105.975","0.0007","90","","4918.43","0.16","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C82 H38 O8 -","- C82 H38 O8 -","- C328 H152 O32 -","4","1","","Ken Kokubo; Riyah S. Arastoo; Takumi Oshima; Chun-Chih Wang; Yuan Gao; Hsing-Lin Wang; Hao Geng; Long Y. Chiang","Synthesis and Regiochemistry of [60]Fullerenyl 2-Methylmalonate Bisadducts and their Facile Electron-Accepting Properties","Journal of Organic Chemistry","2010","75","","4574","4583","10.1021/jo1007674","","","1.54187","CuKα","","0.0734","0.0688","","","0.1585","0.1607","","","","","","1.112","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025520","5.89032","0.00015","18.6263","0.0005","8.9648","0.0002","90","","93.673","0.003","90","","981.55","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N O2 -","- C23 H22 N O2 -","- C46 H44 N2 O4 -","2","1","","Bangben Yao; Yuhong Zhang; Yong Li","Copper-Catalyzed Coupling Reaction of C-OMe Bonds Adjacent to a Nitrogen Atom with Terminal Alkynes","Journal of Organic Chemistry","2010","75","","4554","4561","10.1021/jo1007898","","","1.54184","CuKα","","0.0412","0.0346","","","0.0934","0.0982","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025521","7.8193","0.0004","8.5267","0.0005","17.8337","0.0011","80.866","0.0015","87.4443","0.0018","71.5581","0.0014","1113.64","0.11","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Bangben Yao; Yuhong Zhang; Yong Li","Copper-Catalyzed Coupling Reaction of C-OMe Bonds Adjacent to a Nitrogen Atom with Terminal Alkynes","Journal of Organic Chemistry","2010","75","","4554","4561","10.1021/jo1007898","","","0.71073","MoKα","","0.127","0.0479","","","0.0988","0.1539","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025522","18.907","0.007","13.564","0.005","27.919","0.01","90","","103.79","0.004","90","","6954","4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C83 H46 N O12 -","- C83 H46 N O12 -","- C332 H184 N4 O48 -","4","1","","Dazhi Yang; Lijun Shi; Huan Huang; Jianxin Zhang; Liangbing Gan","Synthesis and Reactivity of 2H-Pyran Moiety in [60]Fullerene Cage Skeleton","Journal of Organic Chemistry","2010","75","","4567","4573","10.1021/jo100799x","","","0.71073","MoKα","","0.1112","0.0795","","","0.2032","0.2218","","","","","","1.026","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025523","5.5094","0.0008","8.0322","0.0012","34.254","0.005","90","","90","","90","","1515.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C68 H72 O12 S4 -","4","1","","Christopher D. Bray; Giorgio de Faveri","Stereocontrolled Synthesis of trans-Cyclopropyl Sulfones from Terminal Epoxides","Journal of Organic Chemistry","2010","75","","4652","4655","10.1021/jo100844g","","","0.71073","MoKα","","0.1181","0.0883","","","0.1719","0.1899","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025524","7.5377","0.0003","11.3446","0.0004","14.749","0.0004","90","","90","","90","","1261.22","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Christopher D. Bray; Giorgio de Faveri","Stereocontrolled Synthesis of trans-Cyclopropyl Sulfones from Terminal Epoxides","Journal of Organic Chemistry","2010","75","","4652","4655","10.1021/jo100844g","","","0.71073","MoKα","","0.0407","0.0366","","","0.0862","0.0881","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025525","30.054","0.009","8.076","0.003","16.13","0.005","90","","109.472","0.01","90","","3691","2","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H23 O Si -","- C21 H23 O Si -","- C168 H184 O8 Si8 -","8","2","","Ryota Wakabayashi; Daishi Fujino; Sayuri Hayashi; Hideki Yorimitsu; Koichiro Oshima","Palladium-Catalyzed Allylation of Aryl Halides with Homoallyl Alcohols Bearing a Trisubstituted Double Bond: Application to Chirality Transfer from Hydroxylated Carbon to Benzylic One","Journal of Organic Chemistry","2010","75","","4337","4343","10.1021/jo100857d","","","0.71075","MoKα","","0.1073","0.048","","","0.1149","0.17","","","","","","1.153","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025526","10.009","0.004","15.153","0.006","17.54","0.006","90","","90","","90","","2660.2","1.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 N4 O3 -","- C33 H26 N4 O3 -","- C132 H104 N16 O12 -","4","1","","Jean-Charles Marié; Yuan Xiong; Geanna K. Min; Adam R. Yeager; Tohru Taniguchi; Nina Berova; Scott E. Schaus; John A. Porco","Enantioselective Synthesis of 3,4-Chromanediones via Asymmetric Rearrangement of 3-Allyloxyflavones","Journal of Organic Chemistry","2010","75","","4584","4590","10.1021/jo100889c","","","0.71073","MoKα","","0.0567","0.0456","","","0.116","0.1232","","","","","","1.018","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025527","10.8724","0.0012","16.065","0.0019","16.651","0.002","114.37","0.003","93.653","0.003","103.86","0.003","2528.3","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 Br N5 O2 -","- C29 H22 Br N5 O2 -","- C116 H88 Br4 N20 O8 -","4","2","","Lang Liu; Xiangyun Xie; Dianzeng Jia; Jixi Guo; Xiaolin Xie","Synthesis and Properties of a Novel Photochromic Compound with Modulated Fluorescence in the Solid State","Journal of Organic Chemistry","2010","75","","4742","4747","10.1021/jo100372z","","","0.71073","MoKα","","0.1448","0.0747","","","0.1827","0.2335","","","","","","0.972","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025528","15.366","0.0015","14.7671","0.0013","19.0611","0.0019","90","","98.59","0.002","90","","4276.7","0.7","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Br N5 O2 -","- C24 H20 Br N5 O2 -","- C192 H160 Br8 N40 O16 -","8","1","","Lang Liu; Xiangyun Xie; Dianzeng Jia; Jixi Guo; Xiaolin Xie","Synthesis and Properties of a Novel Photochromic Compound with Modulated Fluorescence in the Solid State","Journal of Organic Chemistry","2010","75","","4742","4747","10.1021/jo100372z","","","0.71073","MoKα","","0.1125","0.0717","","","0.1802","0.2133","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025529","11.9154","0.0005","11.9676","0.0009","12.0603","0.0005","97.082","0.001","118.641","0.001","102.756","0.001","1418.38","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H40 N4 O -","- C35 H40 N4 O -","- C70 H80 N8 O2 -","2","1","","Alexander F. Pozharskii; Alexander V. Degtyarev; Valery A. Ozeryanskii; Oksana V. Ryabtsova; Zoya A. Starikova; Gennadii S. Borodkin","1,8,1',8'-Tetrakis(dimethylamino)-2,2'-dinaphthylmethanols: Double In/Out Proton Sponges with Low-Barrier Hydrogen-Bond Switching","Journal of Organic Chemistry","2010","75","","4706","4715","10.1021/jo100384s","","","0.71073","MoKα","","0.0643","0.0446","","","0.0834","0.0915","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025530","9.9285","0.0017","10.4828","0.0017","13.09","0.002","93.652","0.003","110.835","0.003","94.013","0.004","1264.4","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H36 N4 O -","- C29 H36 N4 O -","- C58 H72 N8 O2 -","2","2","","Alexander F. Pozharskii; Alexander V. Degtyarev; Valery A. Ozeryanskii; Oksana V. Ryabtsova; Zoya A. Starikova; Gennadii S. Borodkin","1,8,1',8'-Tetrakis(dimethylamino)-2,2'-dinaphthylmethanols: Double In/Out Proton Sponges with Low-Barrier Hydrogen-Bond Switching","Journal of Organic Chemistry","2010","75","","4706","4715","10.1021/jo100384s","","","0.71073","MoKα","","0.1176","0.0913","","","0.1778","0.1924","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025531","10.1061","0.0013","10.5773","0.0013","13.1305","0.0015","94.175","0.003","110.183","0.003","93.582","0.003","1308.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H36 N4 O -","- C29 H36 N4 O -","- C58 H72 N8 O2 -","2","1","","Alexander F. Pozharskii; Alexander V. Degtyarev; Valery A. Ozeryanskii; Oksana V. Ryabtsova; Zoya A. Starikova; Gennadii S. Borodkin","1,8,1',8'-Tetrakis(dimethylamino)-2,2'-dinaphthylmethanols: Double In/Out Proton Sponges with Low-Barrier Hydrogen-Bond Switching","Journal of Organic Chemistry","2010","75","","4706","4715","10.1021/jo100384s","","","0.71073","MoKα","","0.1401","0.0522","","","0.1088","0.1233","","","","","","1.083","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025532","9.637","0.003","42.948","0.013","9.514","0.003","90","","90","","90","","3938","2","189","2","189","2","","","","","","","","4","P n m a","-P 2ac 2n","62","C6 O16 S6 (H2O)3.5 (H3O)2","","","- C6 H13 O21.5 S6 -","- C6 O21.5 S6 -","- C48 O172 S48 -","8","1","","Evgeny M. Garanin; Yuriy V. Tolmachev; Robert R. Hoover; Sonya Adas; Scott D. Bunge; Mahinda Gangoda; Anatoly K. Khitrin; Stephan M. Woods; Andrey Malkovskiy; Nulifer Solak; Chrys Wesdemiotis","Stability and Ring-Shift Tautomerization of Cyclic Anhydrides of Benzenehexasulfonic Acid","Journal of Organic Chemistry","2010","75","","4860","4863","10.1021/jo1005526","","","0.71073","MoKα","","0.108","0.0602","","","0.1581","0.1915","","","","","","1.119","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025533","7.7657","0.0007","15.5387","0.0014","11.2639","0.001","90","","109.592","0.001","90","","1280.5","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitroxide","piperidine-1-oxyl-4-methylene acetic acid methyl ester","","- C12 H20 N O3 -","- C12 H20 N O3 -","- C48 H80 N4 O12 -","4","1","","Scott R. Burks; Mallory A. Makowsky; Zachary A. Yaffe; Chad Hoggle; Pei Tsai; Sukumaran Muralidharan; Michael K. Bowman; Joseph P.Y. Kao; Gerald M. Rosen","The Effect of Structure on Nitroxide EPR Spectral Linewidth","Journal of Organic Chemistry","2010","75","","4737","4741","10.1021/jo1005747","","","0.71073","MoKα","","0.0579","0.0488","","","0.0938","0.097","","","","","","1","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025534","13.444","0.005","13.533","0.005","12.456","0.004","90","","116.587","0.006","90","","2026.6","1.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 N14 -","- C40 H48 N14 -","- C80 H96 N28 -","2","0.5","","Naisa Chandrasekhar; Rajadurai Chandrasekar","""Click-Fluors"": Synthesis of a Family of π-Conjugated Fluorescent Back-to-Back Coupled 2,6-Bis(triazol-1-yl)pyridines and Their Self-Assembly Studies","Journal of Organic Chemistry","2010","75","","4852","4855","10.1021/jo100598q","","","0.71073","MoKα","","0.3022","0.1254","","","0.2486","0.3309","","","","","","1.061","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025535","19.8269","0.001","16.4147","0.0008","38.2255","0.0018","90","","95.2161","0.0005","90","","12389.1","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CBX","CBX","","- C99 H74 F42 N16 O48 -","- C82 H66 F18 N16 O32 -","- C328 H264 F72 N64 O128 -","4","1","","Da Ma; Peter Y. Zavalij; Lyle Isaacs","Acyclic Cucurbit[n]uril Congeners Are High Affinity Hosts","Journal of Organic Chemistry","2010","75","","4786","4795","10.1021/jo100760g","","","0.71073","MoKα","","0.0653","0.0539","","","0.112","0.1159","","","","","","1","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025536","16.1139","0.0008","18.5996","0.0009","22.6067","0.0011","110.667","0.0006","93.2447","0.0007","101.53","0.0007","6151.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","CB-diammonium complex","CB-diammonium complex","","- C96 H90 F27 N18 O40 -","- C78 H76 N18 O21 -","- C156 H152 N36 O42 -","2","1","","Da Ma; Peter Y. Zavalij; Lyle Isaacs","Acyclic Cucurbit[n]uril Congeners Are High Affinity Hosts","Journal of Organic Chemistry","2010","75","","4786","4795","10.1021/jo100760g","","","0.71073","MoKα","","0.0988","0.0828","","","0.1735","0.1786","","","","","","1","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025537","27.448","0.003","23.608","0.003","19.66","0.002","90","","121.614","0.0014","90","","10849","2","250","2","250","2","","","","","","","","5","C 1 c 1","C -2yc","9","Ph2CB4@tetra-ammonium","Ph2CB4@tetra-ammonium","","- C82 H93 F33 N20 O44 -","- C82 H87 F33 N20 O44 -","- C328 H348 F132 N80 O176 -","4","1","","Da Ma; Peter Y. Zavalij; Lyle Isaacs","Acyclic Cucurbit[n]uril Congeners Are High Affinity Hosts","Journal of Organic Chemistry","2010","75","","4786","4795","10.1021/jo100760g","","","0.71073","MoKα","","0.0478","0.0412","","","0.0771","0.0796","","","","","","1","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025538","37.348","0.008","8.973","0.002","23.854","0.005","90","","127.48","0.03","90","","6344","3","253","2","253","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C208 H384 N32 O48 -","16","2","","Dan Yang; Xiao-Wei Chang; Dan-Wei Zhang; Ze-Feng Jiang; Ke-Sheng Song; Yu-Hui Zhang; Nian-Yong Zhu; Lin-Hong Weng; Min-Qin Chen","Chiral α-Aminoxy Acid/Achiral Cyclopropane α-Aminoxy Acid Unit as a Building Block for Constructing the α N-O Helix","Journal of Organic Chemistry","2010","75","","4796","4805","10.1021/jo100810m","","","0.71073","MoKα","","0.1106","0.0579","","","0.1385","0.1526","","","","","","0.945","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025539","8.869","0.002","12.673","0.003","18.561","0.005","90","","90","","90","","2086.2","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 N3 O5 -","- C17 H31 N3 O5 -","- C68 H124 N12 O20 -","4","1","","Dan Yang; Xiao-Wei Chang; Dan-Wei Zhang; Ze-Feng Jiang; Ke-Sheng Song; Yu-Hui Zhang; Nian-Yong Zhu; Lin-Hong Weng; Min-Qin Chen","Chiral α-Aminoxy Acid/Achiral Cyclopropane α-Aminoxy Acid Unit as a Building Block for Constructing the α N-O Helix","Journal of Organic Chemistry","2010","75","","4796","4805","10.1021/jo100810m","","","0.71073","MoKα","","0.0501","0.0385","","","0.1027","0.11","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025540","9.2","0.0019","9.2","0.003","64.15","0.02","90","0.03","90","0.03","90","0.02","5430","3","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C22 H40 N4 O7 -","- C22 H40 N4 O7 -","- C176 H320 N32 O56 -","8","1","","Dan Yang; Xiao-Wei Chang; Dan-Wei Zhang; Ze-Feng Jiang; Ke-Sheng Song; Yu-Hui Zhang; Nian-Yong Zhu; Lin-Hong Weng; Min-Qin Chen","Chiral α-Aminoxy Acid/Achiral Cyclopropane α-Aminoxy Acid Unit as a Building Block for Constructing the α N-O Helix","Journal of Organic Chemistry","2010","75","","4796","4805","10.1021/jo100810m","","","0.71073","MoKα","","0.4539","0.0856","","","0.2856","0.4376","","","","","","0.96","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025541","10.1401","0.0011","13.6843","0.0015","7.3008","0.0008","90","","95.328","0.002","90","","1008.68","0.19","223.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N6 -","- C24 H22 N6 -","- C48 H44 N12 -","2","0.5","","H. M. Dhammika Bandara; Tracey R. Friss; Miriam M. Enriquez; William Isley; Christopher Incarvito; Harry A. Frank; Jose Gascon; Shawn C. Burdette","Proof for the Concerted Inversion Mechanism in the trans →cis Isomerization of Azobenzene Using Hydrogen Bonding To Induce Isomer Locking","Journal of Organic Chemistry","2010","75","","4817","4827","10.1021/jo100866m","","","0.71075","MoKα","","","0.049","","","","0.1294","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025542","9.2978","0.0018","19.381","0.004","10.0507","0.0019","90","","110.099","0.004","90","","1700.8","0.6","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","1","","Pei Nian Liu; Li Dang; Qing Wei Wang; Shu Lei Zhao; Fei Xia; Yu Jie Ren; Xue Qing Gong; Jun Qin Chen","Perchloric Acid Catalyzed Homogeneous and Heterogeneous Addition of β-Dicarbonyl Compounds to Alcohols and Alkenes and Investigation of the Mechanism","Journal of Organic Chemistry","2010","75","","5017","5030","10.1021/jo100517k","","","0.71073","MoKα","","0.2296","0.0869","","","0.2161","0.2763","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025543","11.2845","0.0007","25.4016","0.0016","18.7306","0.0012","90","","105.858","0.001","90","","5164.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N P2 -","- C32 H25 N P2 -","- C256 H200 N8 P16 -","8","2","","Raju Ghosh; N. N. Adarsh; Amitabha Sarkar","A Novel, Air-Stable Phosphine Ligand for the Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Reaction of Chloro Arenes","Journal of Organic Chemistry","2010","75","","5320","5322","10.1021/jo100643j","","","0.71073","MoKα","","0.0595","0.0469","","","0.1374","0.1495","","","","","","1.068","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025544","9.989","0.005","15.244","0.008","10.041","0.005","90","","112.051","0.006","90","","1417.1","1.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H25 Cl2 N P2 Pd -","- C32 Cl2 N P2 Pd -","- C64 Cl4 N2 P4 Pd2 -","2","1","","Raju Ghosh; N. N. Adarsh; Amitabha Sarkar","A Novel, Air-Stable Phosphine Ligand for the Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Reaction of Chloro Arenes","Journal of Organic Chemistry","2010","75","","5320","5322","10.1021/jo100643j","","","0.71073","MoKα","","0.1113","0.1064","","","0.2856","0.2897","","","","","","1.063","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025545","6.719","0.002","8.809","0.003","21.195","0.007","90","","90","","90","","1254.5","0.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Guowei Wang; Jinfeng Zhao; Yuhan Zhou; Baomin Wang; Jingping Qu","Mild and Highly Enantioselective Vinylogous Aldol Reaction of Brassard's Diene with Aromatic Aldehydes by Combined Lewis Acid Catalyst","Journal of Organic Chemistry","2010","75","","5326","5329","10.1021/jo100674f","","","0.71073","MoKα","","0.0346","0.0249","","","0.0545","0.057","","","","","","0.986","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025546","7.2714","0.0016","18.978","0.003","25.506","0.003","90","","90","","90","","3519.7","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","1","","Alexander O. Terent'ev; Dmitry A. Borisov; Ivan A. Yaremenko; Vladimir V. Chernyshev; Gennady I. Nikishin","Synthesis of Asymmetric Peroxides: Transition Metal (Cu, Fe, Mn, Co) Catalyzed Peroxidation of β-Dicarbonyl Compounds with tert-Butyl Hydroperoxide","Journal of Organic Chemistry","2010","75","","5065","5071","10.1021/jo100793j","","x-ray","1.54184","CuKα","","0.0968","0.0702","","","0.1921","0.216","","","","","","1.057","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025547","12.904","0.003","15.674","0.003","17.2","0.003","71.34","0.03","68.18","0.03","82.06","0.03","3059.1","1.3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C126 H142 Cl4 F12 N4 O20 P2 -","- C126 H142 Cl4 F12 N4 O20 P2 -","- C126 H142 Cl4 F12 N4 O20 P2 -","1","0.5","","Jian-Min Zhao; Qian-Shou Zong; Chuan-Feng Chen","Complexation of Triptycene-Based Macrotricyclic Host toward (9-Anthracylmethyl)benzylammonium Salt: A Ba2+ Selective Fluorescence Probe","Journal of Organic Chemistry","2010","75","","5092","5098","10.1021/jo1008355","","","0.71073","MoKα","","0.1348","0.1122","","","0.336","0.3632","","","","","","1.396","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025548","11.658","0.0011","14.2365","0.0014","18.3424","0.0019","75.379","0.007","77.397","0.007","68.116","0.006","2707.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H136 F12 N6 O20 P2 -","- C112 H136 F12 N6 O20 P2 -","- C112 H136 F12 N6 O20 P2 -","1","0.5","","Jian-Min Zhao; Qian-Shou Zong; Chuan-Feng Chen","Complexation of Triptycene-Based Macrotricyclic Host toward (9-Anthracylmethyl)benzylammonium Salt: A Ba2+ Selective Fluorescence Probe","Journal of Organic Chemistry","2010","75","","5092","5098","10.1021/jo1008355","","","1.54186","CuKα","","0.1147","0.0722","","","0.164","0.198","","","","","","1.066","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025549","21.7455","0.0008","19.1533","0.0008","25.0365","0.0011","90","","90","","90","","10427.7","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H104 Ba2 Cl4 N4 O36 -","- C84 H104 Ba2 Cl4 N4 O36 -","- C336 H416 Ba8 Cl16 N16 O144 -","4","0.5","","Jian-Min Zhao; Qian-Shou Zong; Chuan-Feng Chen","Complexation of Triptycene-Based Macrotricyclic Host toward (9-Anthracylmethyl)benzylammonium Salt: A Ba2+ Selective Fluorescence Probe","Journal of Organic Chemistry","2010","75","","5092","5098","10.1021/jo1008355","","","0.71073","MoKα","","0.0952","0.0818","","","0.2298","0.2395","","","","","","1.168","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025550","7.8308","0.0015","11.013","0.002","25.536","0.005","90","","90","","90","","2202.2","0.7","228","2","228","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C80 H112 N16 O16 -","4","1","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0743","0.0557","","","0.1539","0.1769","","","","","","1.043","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025551","18.5535","0.0005","10.3706","0.0003","11.6952","0.0003","90","","110.934","0.001","90","","2101.75","0.1","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H25 Cl3 N2 O5 -","- C17 H25 Cl3 N2 O5 -","- C68 H100 Cl12 N8 O20 -","4","1","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0574","0.0417","","","0.1076","0.1171","","","","","","1.039","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025552","10.7061","0.0004","6.0645","0.0002","14.7816","0.0006","90","","104.232","0.002","90","","930.27","0.06","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O5 -","- C17 H28 N2 O5 -","- C34 H56 N4 O10 -","2","1","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0447","0.035","","","0.0707","0.0744","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025553","7.6123","0.0003","32.1258","0.0014","10.738","0.0005","90","","106.951","0.002","90","","2511.9","0.19","228","2","228","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N3 O7 -","- C23 H31 N3 O7 -","- C92 H124 N12 O28 -","4","2","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0673","0.0403","","","0.0852","0.0963","","","","","","1.009","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025554","9.641","0.001","16.342","0.003","12.793","0.001","90","","93.38","0.01","90","","2012.1","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(N-benzyl-Npropanoyl)amino-13-methylene-5-oxo -2,3,5,6,12,13-hexahydro-1H-benzo[d]pyrrolo[1,2-a]azepine","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Renata Riva; Luca Banfi; Andrea Basso; Valentina Cerulli; Giuseppe Guanti; Marcella Pani","A Highly Convergent Synthesis of Tricyclic N-Heterocycles Coupling an Ugi Reaction with a Tandem SN2'-Heck Double Cyclization","Journal of Organic Chemistry","2010","75","","5134","5143","10.1021/jo100859y","","","0.71073","MoKα","","0.1685","0.0623","","","0.1109","0.1341","","","","","","0.914","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4025555","6.08","0.002","11.792","0.005","15.073","0.006","90","","90","","90","","1080.7","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 F N2 O -","- C11 H17 F N2 O -","- C44 H68 F4 N8 O4 -","4","1","","Alexander D. Dilman; Pavel A. Belyakov; Marina I. Struchkova; Dmitry E. Arkhipov; Alexander A. Korlyukov; Vladimir A. Tartakovsky","Fluorocyanation of Enamines","Journal of Organic Chemistry","2010","75","","5367","5370","10.1021/jo1008993","","","0.71073","MoKα","","0.0532","0.0443","","","0.0867","0.0892","","","","","","1.008","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025556","7.5776","0.0012","10.1746","0.0016","12.161","0.002","99.615","0.002","91.836","0.002","96.734","0.002","916.8","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","(R*)-5-((R*)-1-(tert-Butyldimethylsilyloxy)-2,2-dimethylcyclohexyl) furan-2(5H)-one","","- C18 H32 O3 Si -","- C18 H32 O3 Si -","- C36 H64 O6 Si2 -","2","1","","Hikaru Yanai; Yasuhiro Yoshino; Arata Takahashi; Takeo Taguchi","Carbon Acid Induced Mukaiyama Aldol Type Reaction of Sterically Hindered Ketones","Journal of Organic Chemistry","2010","75","","5375","5378","10.1021/jo100915e","","","0.71073","MoKα","","0.0442","0.0356","","","0.09","0.0952","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025557","7.8568","0.0009","9.3124","0.001","12.7551","0.0014","95.564","0.001","92.993","0.001","99.913","0.001","912.71","0.17","90","","90","","","","","","","","","5","P -1","-P 1","2","","(R*)-5-((3R*,4R*)-4-(tert-butyldimethylsilyloxy)- 3-methyltetrahydro-2H-thiopyran-4-yl)furan-2(5H)-one","","- C16 H28 O3 S Si -","- C16 H28 O3 S Si -","- C32 H56 O6 S2 Si2 -","2","1","","Hikaru Yanai; Yasuhiro Yoshino; Arata Takahashi; Takeo Taguchi","Carbon Acid Induced Mukaiyama Aldol Type Reaction of Sterically Hindered Ketones","Journal of Organic Chemistry","2010","75","","5375","5378","10.1021/jo100915e","","","0.71073","MoKα","","0.0423","0.0348","","","0.0871","0.0906","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025558","16.1308","0.0013","8.9024","0.0007","14.1885","0.0011","90","","110.177","0.001","90","","1912.5","0.3","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(S*)-4-Bromo-5-((1R*,2S*)-1-(tert-butyldimethylsilyloxy)- 2-methylcyclohexyl)furan-2(5H)-one","","- C17 H29 Br O3 Si -","- C17 H29 Br O3 Si -","- C68 H116 Br4 O12 Si4 -","4","1","","Hikaru Yanai; Yasuhiro Yoshino; Arata Takahashi; Takeo Taguchi","Carbon Acid Induced Mukaiyama Aldol Type Reaction of Sterically Hindered Ketones","Journal of Organic Chemistry","2010","75","","5375","5378","10.1021/jo100915e","","","0.71073","MoKα","","0.0358","0.03","","","0.0788","0.0817","","","","","","1.035","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025559","11.2466","0.0008","11.9082","0.0009","14.2975","0.001","90","","90","","90","","1914.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O4 S -","- C19 H25 N3 O4 S -","- C76 H100 N12 O16 S4 -","4","1","","Hua Yang; Rich G. Carter","Development of an Enantioselective Route toward the Lycopodium Alkaloids: Total Synthesis of Lycopodine","Journal of Organic Chemistry","2010","75","","4929","4938","10.1021/jo100916x","","","0.71073","MoKα","","0.0424","0.0356","","","0.0816","0.0861","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025560","15.36","0.005","8.016","0.003","16.894","0.006","90","","115.123","0.005","90","","1883.3","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O4 S -","- C18 H23 N3 O4 S -","- C72 H92 N12 O16 S4 -","4","2","","Hua Yang; Rich G. Carter","Development of an Enantioselective Route toward the Lycopodium Alkaloids: Total Synthesis of Lycopodine","Journal of Organic Chemistry","2010","75","","4929","4938","10.1021/jo100916x","","","0.71073","MoKα","","0.0932","0.0685","","","0.1541","0.1678","","","","","","1.005","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025561","8.254","0.003","7.65","0.003","25.887","0.009","90","","98.059","0.007","90","","1618.4","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Hua Yang; Rich G. Carter","Development of an Enantioselective Route toward the Lycopodium Alkaloids: Total Synthesis of Lycopodine","Journal of Organic Chemistry","2010","75","","4929","4938","10.1021/jo100916x","","","0.71073","MoKα","","0.0603","0.0455","","","0.1088","0.1189","","","","","","1.045","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025562","9.3648","0.001","10.0518","0.0011","18.751","0.002","90","","90","","90","","1765.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Hua Yang; Rich G. Carter","Development of an Enantioselective Route toward the Lycopodium Alkaloids: Total Synthesis of Lycopodine","Journal of Organic Chemistry","2010","75","","4929","4938","10.1021/jo100916x","","","0.71073","MoKα","","0.0618","0.0436","","","0.0799","0.0876","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025563","21.383","0.003","11.0697","0.0017","19.56","0.003","90","","90","","90","","4629.9","1.2","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-Leu-Leu-Aib-D-Leu-D-Leu-Aib-OMe","","- C38 H70 N6 O9 -","- C38 H70 N6 O9 -","- C152 H280 N24 O36 -","4","1","","Yosuke Demizu; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Haruhiro Okuda; Masaaki Kurihara","Three-Dimensional Structural Control of Diastereomeric Leu-Leu-Aib-Leu-Leu-Aib Sequences in the Solid State","Journal of Organic Chemistry","2010","75","","5234","5239","10.1021/jo100965r","","","0.71073","MoKα","","0.0606","0.0527","","","0.1488","0.1562","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025564","9.3911","0.0019","21.278","0.004","11.662","0.002","90","","99.125","0.003","90","","2300.9","0.7","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","Boc-Leu-D-Leu-Aib-Leu-D-Leu-OMe","","- C38 H70 N6 O9 -","- C38 H70 N6 O9 -","- C76 H140 N12 O18 -","2","1","","Yosuke Demizu; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Haruhiro Okuda; Masaaki Kurihara","Three-Dimensional Structural Control of Diastereomeric Leu-Leu-Aib-Leu-Leu-Aib Sequences in the Solid State","Journal of Organic Chemistry","2010","75","","5234","5239","10.1021/jo100965r","","","0.71073","MoKα","","0.0642","0.0507","","","0.1365","0.1447","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025565","12.545","0.003","14.913","0.003","15.33","0.003","77.622","0.003","66.601","0.003","78.839","0.003","2552.1","0.9","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-Leu-D-Leu-Aib-D-Leu-Leu-Aib-OMe, MeCN","","- C40 H73 N7 O9 -","- C40 H73 N7 O9 -","- C80 H146 N14 O18 -","2","2","","Yosuke Demizu; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Haruhiro Okuda; Masaaki Kurihara","Three-Dimensional Structural Control of Diastereomeric Leu-Leu-Aib-Leu-Leu-Aib Sequences in the Solid State","Journal of Organic Chemistry","2010","75","","5234","5239","10.1021/jo100965r","","","0.71073","MoKα","","0.095","0.0775","","","0.1905","0.1971","","","","","","0.99","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025566","21.7182","0.0005","9.3588","0.0002","22.1212","0.0005","90","","112.81","0.02","90","","4144.6","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (3RS,13bSR)-3-phenyl- 3,13b-dihydrodibenzo[b,f]pyrrolo[1,2-d] [1,4]oxazepine-1,2-dicarboxylate","","- C26 H21 N O5 -","- C26 H21 N O5 -","- C208 H168 N8 O40 -","8","2","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","","0.71073","Mo-Kα","","0.1198","0.0625","","","0.1404","0.1573","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025567","9.1111","0.0002","10.071","0.0002","13.8379","0.0003","87.634","0.01","70.984","0.01","68.372","0.01","1111.43","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl (3RS,13bSR)-3-(2-bromophenyl)-3,13b-dihydrodibenzo[b,f]pyrrolo [1,2-d][1,4]oxazepine-1,2-dicarboxylate (11b)","","- C26 H20 Br N O5 -","- C26 H20 Br N O5 -","- C52 H40 Br2 N2 O10 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MoKα","K-L~3~","0.0378","0.0306","","","0.077","0.0806","","","","","","1.059","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025568","9.8566","0.0006","18.5178","0.0008","11.5398","0.0006","90","","90.67","0.02","90","","2106.13","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethyl 3-(2-bromophenyl)dibenzo[b,f]pyrrolo[1,2-d] [1,4]oxazepine-1,2-dicarboxylate","","- C26 H18 Br N O5 -","- C26 H18 Br N O5 -","- C104 H72 Br4 N4 O20 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MoKα","K-L~3~","0.1081","0.0479","","","0.1001","0.1108","","","","","","0.94","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025569","11.8716","0.0005","15.0615","0.0006","10.6577","0.0004","90","","97.23","0.02","90","","1890.49","0.16","120","","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (3RS,13bRS)-2-methyl-3-phenyl-3,13b-dihydrodibenzo[b,f] pyrrolo[1,2-d][1,4]oxazepine-1-carboxylate","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MOKα","K-L~3~","0.1542","0.0568","","","0.1069","0.131","","","","","","0.994","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025570","9.2576","0.0002","11.0167","0.0002","11.0998","0.0002","115.75","0.02","113.51","0.02","94.86","0.02","888.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Methyl (3RS,13bRS)-3-phenyl-3,13b-dihydrodibenzo[b,f]pyrrolo[1,2-d] [1,4]oxazepine-2-carboxylate","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MoKα","K-L~3~","0.0654","0.0517","","","0.147","0.1555","","","","","","1.006","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025571","8.8961","0.0002","10.4555","0.0003","13.7527","0.0004","108.927","0.01","98.385","0.01","107.894","0.01","1107.84","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Methyl (3RS,13bRS)-1,3-phenyl-3,13b-dihydrodibenzo[b,f]pyrrolo[1,2-d] [1,4]oxazepine-2-carboxylate","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C60 H46 N2 O6 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MoKα","K-L~3~","0.058","0.0468","","","0.1327","0.1442","","","","","","1.05","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025572","9.4926","0.0004","9.8488","0.0004","10.979","0.0005","99.202","0.01","109.385","0.01","92.414","0.01","950.78","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-methyl-3-phenyldibenzo[b,f]pyrrolo[1,2-d] [1,4]oxazepine-1-carboxylate","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C50 H38 N2 O6 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MoKα","K-L~3~","0.0703","0.0467","","","0.119","0.1299","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025573","8.2972","0.0009","10.0287","0.0008","14.2944","0.0013","90.0544","0.0016","104.466","0.005","108.744","0.003","1086.36","0.18","123.1","","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O6 -","- C25 H26 O6 -","- C50 H52 O12 -","2","1","","Shoko Yamazaki; Yuko Yamamoto; Yugo Fukushima; Masachika Takebayashi; Tetsuma Ukai; Yuji Mikata","Lewis Acid Promoted Reactions of Ethenetricarboxylates with Allenes: Synthesis of Indenes and γ-Lactones via Conjugate Addition/Cyclization Reaction","Journal of Organic Chemistry","2010","75","","5216","5222","10.1021/jo1009855","","","0.7107","MoKα","","","0.0394","","","","0.1047","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025574","8.3225","0.0004","12.0278","0.0006","11.0525","0.0005","90","","95.075","0.002","90","","1102.03","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-[(20S)-3β-Hydroxy-20,21-epithiopregn-5-en-17β-yl] dimethylcarbamate","","- C24 H37 N O3 S -","- C24 H37 N O3 S -","- C48 H74 N2 O6 S2 -","2","1","","Przemysław Kalicki; Michał Karchier; Karol Michalak; Jerzy Wicha","Rearrangement of 2,3-Epoxy Alcohol Dimethylthiocarbamate Derivatives. Synthesis of 2,3-Epithio Alcohol Derivatives under Mild Conditions","Journal of Organic Chemistry","2010","75","","5388","5391","10.1021/jo101000u","","","1.54178","CuKα","","0.0583","0.0581","","","0.1396","0.1401","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025575","5.9928","0.0002","12.2646","0.0005","33.1829","0.0014","90","","90","","90","","2438.92","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-[(20S)-17α,20-Epoxy-3β-(methoxymethoxy)pregn-5-en-16β-yl] dimethylthiocarbamate","","- C26 H41 N O4 S -","- C26 H41 N O4 S -","- C104 H164 N4 O16 S4 -","4","1","","Przemysław Kalicki; Michał Karchier; Karol Michalak; Jerzy Wicha","Rearrangement of 2,3-Epoxy Alcohol Dimethylthiocarbamate Derivatives. Synthesis of 2,3-Epithio Alcohol Derivatives under Mild Conditions","Journal of Organic Chemistry","2010","75","","5388","5391","10.1021/jo101000u","","","1.54178","CuKα","","0.049","0.0436","","","0.1049","0.1079","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025576","6.254","0.0003","10.8365","0.0006","35.4475","0.0019","90","","90","","90","","2402.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H Br2 O5 -","- C25 H26 Br2 O5 -","- C100 H104 Br8 O20 -","4","1","","Xiaolei Wang; Jie Zheng; Qiang Chen; Huaiji Zheng; Yongping He; Juan Yang; Xuegong She","Biomimetic Total Synthesis of (+)-Chabranol","Journal of Organic Chemistry","2010","75","","5392","5394","10.1021/jo101016g","","","0.71073","MoKα","","0.1198","0.0441","","","0.0996","0.1372","","","","","","0.823","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025577","16.7482","0.0006","6.0229","0.0002","27.9916","0.0008","90","","96.619","0.002","90","","2804.77","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 N2 O2 S -","- C35 H34 N2 O2 S -","- C140 H136 N8 O8 S4 -","4","1","","Mitchell H. Weston; Masood Parvez; Thomas G. Back","Conjugate Additions, Aza-Cope, and Dissociative Rearrangements and Unexpected Electrocyclic Ring Closures in the Reactions of 2-(2-Pyrrolidinyl)-Substituted Heteroaromatic Systems with Acetylenic Sulfones","Journal of Organic Chemistry","2010","75","","5402","5405","10.1021/jo101030b","","","0.71073","MoKα","","0.1359","0.0824","","","0.1359","0.1663","","","","","","1.126","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025578","10.1","0.002","13.853","0.004","15.004","0.004","66.058","0.011","70.468","0.014","70.373","0.013","1758.7","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H40 N2 O4 S2 -","- C41 H40 N2 O4 S2 -","- C82 H80 N4 O8 S4 -","2","1","","Mitchell H. Weston; Masood Parvez; Thomas G. Back","Conjugate Additions, Aza-Cope, and Dissociative Rearrangements and Unexpected Electrocyclic Ring Closures in the Reactions of 2-(2-Pyrrolidinyl)-Substituted Heteroaromatic Systems with Acetylenic Sulfones","Journal of Organic Chemistry","2010","75","","5402","5405","10.1021/jo101030b","","","0.71073","MoKα","","0.0671","0.0445","","","0.1024","0.1152","","","","","","1.02","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025579","16.015","0.003","5.4583","0.0009","25.143","0.005","90","","99.848","0.002","90","","2165.5","0.7","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Anthony W. Hill; Mark R. J. Elsegood; Marc C. Kimber","An Intermolecular Hydroamination of Allenamides with Arylamines Catalyzed by Cationic Au(I) Salts","Journal of Organic Chemistry","2010","75","","5406","5409","10.1021/jo101035n","","","0.71073","MoKα","","0.0596","0.0428","","","0.1109","0.1211","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025580","12.787","0.005","7.464","0.003","23.799","0.01","90","","90","","90","","2271.4","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","1","","Yu-Ming Zhao; Peiming Gu; Yong-Qiang Tu; Hai-Jun Zhang; Qing-Wei Zhang; Chun-An Fan","One-Pot Synthesis of Aminoenone via Direct Reaction of the Chloroalkyl Enone with NaN3: Rapid Access to Polycyclic Alkaloids","Journal of Organic Chemistry","2010","75","","5289","5295","10.1021/jo101226r","","","0.71073","MoKα","","0.0627","0.0415","","","0.092","0.1015","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025581","13.632","0.002","6.6388","0.001","14.072","0.002","90","","95.006","0.008","90","","1268.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","","Yu-Ming Zhao; Peiming Gu; Yong-Qiang Tu; Hai-Jun Zhang; Qing-Wei Zhang; Chun-An Fan","One-Pot Synthesis of Aminoenone via Direct Reaction of the Chloroalkyl Enone with NaN3: Rapid Access to Polycyclic Alkaloids","Journal of Organic Chemistry","2010","75","","5289","5295","10.1021/jo101226r","","","0.71073","MoKα","","0.0538","0.0425","","","0.1405","0.1643","","","","","","0.665","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025582","18.1117","0.0011","18.1117","0.0011","18.1117","0.0011","90","","90","","90","","5941.2","0.6","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C30 H39 N4 O3 P -","- C30 H39 N4 O3 P -","- C240 H312 N32 O24 P8 -","8","0.666667","","Steven M. Raders; John G. Verkade","An Electron-Rich Proazaphosphatrane for Isocyanate Trimerization to Isocyanurates","Journal of Organic Chemistry","2010","75","","5308","5311","10.1021/jo9023396","","","0.71073","MoKα","","0.0646","0.0428","","","0.1047","0.1236","","","","","","1.113","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025583","9.201","0.004","7.605","0.003","12.505","0.005","90","","110.476","0.005","90","","819.7","0.6","146","2","146","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N O4 P -","- C15 H24 N O4 P -","- C30 H48 N2 O8 P2 -","2","1","","Jean-Christophe Monbaliu; Bernard Tinant; Jacqueline Marchand-Brynaert","[4 + 2] Cycloadditions of 1-Phosphono-1,3-butadienes with Nitroso Heterodienophiles: A Versatile Synthetic Route for Polyfunctionalized Aminophosphonic Derivatives","Journal of Organic Chemistry","2010","75","","5478","5486","10.1021/jo100230r","","","0.71073","MoKα","","0.0596","0.0524","","","0.1344","0.139","","","","","","1.028","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025584","10.985","0.005","11.889","0.008","12.965","0.006","101.319","0.005","105.017","0.006","113.361","0.007","1413.4","1.3","146","2","146","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H40 N O8 P S Si -","- C22 H40 N O8 P S Si -","- C44 H80 N2 O16 P2 S2 Si2 -","2","1","","Jean-Christophe Monbaliu; Bernard Tinant; Jacqueline Marchand-Brynaert","[4 + 2] Cycloadditions of 1-Phosphono-1,3-butadienes with Nitroso Heterodienophiles: A Versatile Synthetic Route for Polyfunctionalized Aminophosphonic Derivatives","Journal of Organic Chemistry","2010","75","","5478","5486","10.1021/jo100230r","","","0.71073","MoKα","","0.0987","0.0566","","","0.1017","0.1137","","","","","","1.078","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025585","8.856","0.003","10.318","0.004","16.067","0.006","85.22","0.02","87.06","0.02","81.34","0.02","1445.2","0.9","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H42 N O8 P S Si -","- C22 H42 N O8 P S Si -","- C44 H84 N2 O16 P2 S2 Si2 -","2","1","","Jean-Christophe Monbaliu; Bernard Tinant; Jacqueline Marchand-Brynaert","[4 + 2] Cycloadditions of 1-Phosphono-1,3-butadienes with Nitroso Heterodienophiles: A Versatile Synthetic Route for Polyfunctionalized Aminophosphonic Derivatives","Journal of Organic Chemistry","2010","75","","5478","5486","10.1021/jo100230r","","","0.71069","MoKα","","0.0517","0.047","","","0.1266","0.1308","","","","","","1.078","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025586","14.526","0.001","8.159","0.003","15.267","0.007","90","","94.955","0.004","90","","1802.6","1.1","146","2","146","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 N O8 P -","- C13 H26 N O8 P -","- C52 H104 N4 O32 P4 -","4","1","","Jean-Christophe Monbaliu; Bernard Tinant; Jacqueline Marchand-Brynaert","[4 + 2] Cycloadditions of 1-Phosphono-1,3-butadienes with Nitroso Heterodienophiles: A Versatile Synthetic Route for Polyfunctionalized Aminophosphonic Derivatives","Journal of Organic Chemistry","2010","75","","5478","5486","10.1021/jo100230r","","","0.71073","MoKα","","0.0801","0.0385","","","0.0855","0.0967","","","","","","0.912","","","","has coordinates,has disorder","288183","2023-12-08","14:42:53",""
"4025587","5.17","0.003","29.506","0.017","8.522","0.005","90","","100.04","0.01","90","","1280.1","1.3","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Amino thiirane","N1-[(2R*,3R*)-3-methylthiiran-2-yl]methyl-4-methyl-1-benzenesulfonamide","","- C11 H15 N O2 S2 -","- C11 H15 N O2 S2 -","- C44 H60 N4 O8 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasamurthy Koutha; Venkataraman Ganesh; Srinivasan Chandrasekaran","Tetrathiomolybdate Mediated Rearrangement of Aziridinemethanol Tosylates: A Thia-Aza-Payne Rearrangement","Journal of Organic Chemistry","2010","75","","5533","5541","10.1021/jo100640w","","","0.71073","MoKα","","0.0687","0.0551","","","0.1279","0.1339","","","","","","1.191","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025588","12.47","0.007","7.347","0.004","15.965","0.009","90","","112.404","0.009","90","","1352.3","1.3","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","cyclic aminodisulfide","N1-[(3R*,4S*)-3-methyl-1,2-dithiolan-4-yl] methyl-4-methyl-1-benzenesulfonamide","","- C11 H15 N O2 S3 -","- C11 H15 N O2 S3 -","- C44 H60 N4 O8 S12 -","4","1","","Devarajulu Sureshkumar; Srinivasamurthy Koutha; Venkataraman Ganesh; Srinivasan Chandrasekaran","Tetrathiomolybdate Mediated Rearrangement of Aziridinemethanol Tosylates: A Thia-Aza-Payne Rearrangement","Journal of Organic Chemistry","2010","75","","5533","5541","10.1021/jo100640w","","","0.71073","MoKα","","0.0654","0.0539","","","0.1401","0.1458","","","","","","1.092","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025589","12.005","0.008","25.176","0.016","10.735","0.007","90","","113.314","0.009","90","","2980","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dithia-bicyclo[3.2.1]octane","N-((1R*,5S*,8r)-6,7-dithiabicyclo[3.2.1]octan-8-yl)-4-methylbenzenesulfonamide","","- C13 H17 N O2 S3 -","- C13 H17 N O2 S3 -","- C104 H136 N8 O16 S24 -","8","2","","Devarajulu Sureshkumar; Srinivasamurthy Koutha; Venkataraman Ganesh; Srinivasan Chandrasekaran","Tetrathiomolybdate Mediated Rearrangement of Aziridinemethanol Tosylates: A Thia-Aza-Payne Rearrangement","Journal of Organic Chemistry","2010","75","","5533","5541","10.1021/jo100640w","","","0.71073","MoKα","","0.0611","0.049","","","0.1248","0.1308","","","","","","1.033","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025590","7.5303","0.0019","8.964","0.002","11.913","0.003","77.985","0.004","75.571","0.004","88.78","0.004","761.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","thia-bicylo[3.2.1]heptan","4-methyl-N-((1S*,5R*,7S*)-1-methyl-6-thiabicyclo[3.1.1]heptan-7-yl) benzenesulfonamide","","- C14 H19 N O2 S2 -","- C14 H19 N O2 S2 -","- C28 H38 N2 O4 S4 -","2","1","","Devarajulu Sureshkumar; Srinivasamurthy Koutha; Venkataraman Ganesh; Srinivasan Chandrasekaran","Tetrathiomolybdate Mediated Rearrangement of Aziridinemethanol Tosylates: A Thia-Aza-Payne Rearrangement","Journal of Organic Chemistry","2010","75","","5533","5541","10.1021/jo100640w","","","0.71073","MoKα","","0.103","0.0842","","","0.2247","0.2388","","","","","","1.03","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025591","7.238","0.004","10.304","0.005","10.95","0.006","109.161","0.008","102.369","0.008","94.459","0.009","743.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","cyclic-disulfide","(S*)-N-(3,3-dimethyl-1,2-dithiolan-4-yl)-4-methylbenzenesulfonamide","","- C12 H17 N O2 S3 -","- C12 H17 N O2 S3 -","- C24 H34 N2 O4 S6 -","2","1","","Devarajulu Sureshkumar; Srinivasamurthy Koutha; Venkataraman Ganesh; Srinivasan Chandrasekaran","Tetrathiomolybdate Mediated Rearrangement of Aziridinemethanol Tosylates: A Thia-Aza-Payne Rearrangement","Journal of Organic Chemistry","2010","75","","5533","5541","10.1021/jo100640w","","","0.71073","MoKα","","0.0558","0.0491","","","0.1435","0.1505","","","","","","1.036","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025592","6.149","0.003","9.052","0.003","30.88","0.02","90","","90","","90","","1718.8","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S,5S,2E)-1-Cyclohexyl-7-phenylhept-2-ene-1,5-diol","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Enrique Fernández; Jörg Pietruszka; Wolfgang Frey","Palladium-Catalyzed Synthesis of Enantiomerically Pure α-Substituted Allylboronic Esters and Their Addition to Aldehydes","Journal of Organic Chemistry","2010","75","","5580","5589","10.1021/jo1008959","","","1.54178","CuKα","","0.1678","0.0928","","","0.2004","0.2463","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025593","9.958","0.002","17.593","0.004","18.858","0.004","90","","90","","90","","3303.8","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3S,4S,4'R,5'R)-4-[4',5'-Bis(methoxydiphenylmethyl)-1',3',2'-dioxaborolan-2'-yl]-2-methylhex-5-en-3-ol","","","- C37 H41 B O5 -","- C37 H41 B O5 -","- C148 H164 B4 O20 -","4","1","","Enrique Fernández; Jörg Pietruszka; Wolfgang Frey","Palladium-Catalyzed Synthesis of Enantiomerically Pure α-Substituted Allylboronic Esters and Their Addition to Aldehydes","Journal of Organic Chemistry","2010","75","","5580","5589","10.1021/jo1008959","","","0.71073","MoKα","","0.0824","0.0552","","","0.1161","0.1268","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025594","11.1451","0.0011","11.2829","0.001","11.9726","0.0016","85.201","0.011","76.936","0.011","90","0.012","1461.2","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","","(1R,5R)-1,5-diphenylpentane-1,5-diol","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","4","","Enrique Fernández; Jörg Pietruszka; Wolfgang Frey","Palladium-Catalyzed Synthesis of Enantiomerically Pure α-Substituted Allylboronic Esters and Their Addition to Aldehydes","Journal of Organic Chemistry","2010","75","","5580","5589","10.1021/jo1008959","","","1.54178","CuKα","","0.2343","0.1079","","","0.2119","0.2872","","","","","","1.053","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025595","8.469","0.0013","20.25","0.003","12.0908","0.0017","90","","93.078","0.003","90","","2070.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 N2 O4 Ru2 -","- C48 H48 N2 O4 Ru2 -","- C96 H96 N4 O8 Ru4 -","2","0.5","","Youngshil Do; In-Chul Hwang; Mahn-Joo Kim; Jaiwook Park","Photoactivated Racemization Catalyst for Dynamic Kinetic Resolution of Secondary Alcohols","Journal of Organic Chemistry","2010","75","","5740","5742","10.1021/jo1009036","","","0.71073","MoKα","","0.0355","0.0279","","","0.0706","0.0744","","","","","","1.025","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025596","14.554","0.005","18.044","0.007","7.886","0.002","90","","104.18","0.03","90","","2007.9","1.2","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O8 -","- C25 H14 O8 -","- C100 H56 O32 -","4","1","","Kana Watanabe; Yusuke Iwata; Satoshi Adachi; Tomoyuki Nishikawa; Yuko Yoshida; Shunsuke Kameda; Mitsuaki Ide; Yoko Saikawa; Masaya Nakata","Synthetic Studies on Lactonamycins: Synthesis of the Model BCDEF Aglycon","Journal of Organic Chemistry","2010","75","","5573","5579","10.1021/jo100913s","","","0.71073","MoKα","","","0.044","","","","0.144","","","","","","0.942","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4025597","15.526","0.0009","5.2293","0.0003","20.0132","0.0012","90","","110.908","0.003","90","","1517.88","0.16","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","Ambruticin triformate","","","- C31 H44 O8 -","- C31 H44 O8 -","- C62 H88 O16 -","2","1","","Stephen Hanessian; Thilo Focken; Xueling Mi; Rupal Oza; Bin Chen; Dougal Ritson; Renaud Beaudegnies","Total Synthesis of (+)-Ambruticin S: Probing the Pharmacophoric Subunit","Journal of Organic Chemistry","2010","75","","5601","5618","10.1021/jo100956v","","","1.54178","CuKα","","0.0635","0.0485","","","0.1179","0.1239","","","","","","0.921","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025598","10.4645","0.0004","9.8531","0.0003","11.5532","0.0005","90","","115.814","0.002","90","","1072.36","0.07","170","","170","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","(1S, 2S, 3R)-tert-Butyl 2-formyl-3-methylcyclopropanecarboxylate","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","","Stephen Hanessian; Thilo Focken; Xueling Mi; Rupal Oza; Bin Chen; Dougal Ritson; Renaud Beaudegnies","Total Synthesis of (+)-Ambruticin S: Probing the Pharmacophoric Subunit","Journal of Organic Chemistry","2010","75","","5601","5618","10.1021/jo100956v","","","1.54178","CuKα","","0.0384","0.0374","","","0.0941","0.0957","","","","","","1.078","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025599","10.3057","0.0005","10.3148","0.0005","14.5675","0.0007","107.39","0.001","91.596","0.001","90.607","0.001","1476.9","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H80 B2 F8 Li2 N16 O4 -","- C56 H80 B2 F8 Li2 N16 O4 -","- C56 H80 B2 F8 Li2 N16 O4 -","1","0.5","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0543","0.042","","","0.1031","0.1095","","","","","","1.046","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025600","14.2251","0.0007","15.9467","0.0007","16.5472","0.0008","90.932","0.001","93.84","0.001","103.55","0.001","3639","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H102 N16 O6 -","- C74 H102 N16 O6 -","- C148 H204 N32 O12 -","2","1","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0824","0.0632","","","0.162","0.179","","","","","","1.053","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025601","25.3621","0.0014","16.7341","0.0009","18.5947","0.001","90","","90","","90","","7891.8","0.7","150","2","150","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C34 H40 D18 N8 O5 S3 -","- C34 H40 D18 N8 O5 S3 -","- C272 H320 D144 N64 O40 S24 -","8","","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0406","0.0372","","","0.0915","0.0943","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025602","11.7784","0.0008","22.356","0.0015","27.7304","0.0019","90","","99.299","0.001","90","","7206","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N8 O3 -","- C28 H41 N8 O3 -","- C224 H328 N64 O24 -","8","2","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0634","0.0453","","","0.1185","0.1254","","","","","","0.933","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025603","10.96","0.0004","13.0521","0.0005","17.2061","0.0006","98.316","0.001","101.925","0.001","90.848","0.001","2380.37","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.24 H62.48 Cl2.48 N12 O3 -","- C43.2367 H62.4734 Cl2.4734 N12 O3 -","- C86.4734 H124.947 Cl4.9468 N24 O6 -","2","1","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0922","0.0546","","","0.1287","0.1451","","","","","","0.938","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025604","9.0435","0.0005","10.8574","0.0006","17.0752","0.001","79.582","0.001","87.561","0.001","72.068","0.001","1568.7","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H82 Cl6 N16 O4 -","- C58 H82 Cl6 N16 O4 -","- C58 H82 Cl6 N16 O4 -","1","0.5","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.093","0.0443","","","0.0616","0.0725","","","","","","0.798","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025605","14.4465","0.0006","15.4789","0.0006","19.1776","0.0007","78.228","0.001","69.194","0.001","84.717","0.001","3923.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H210 Cl6 N32 Na6 O52 -","- C117 H204 Cl6 N32 Na6 O52 -","- C117 H204 Cl6 N32 Na6 O52 -","1","0.5","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0613","0.0525","","","0.1474","0.154","","","","","","1.046","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025606","10.0868","0.0008","15.8235","0.0013","12.3174","0.001","90","","99.131","0.001","90","","1941","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N O5 S -","- C20 H18 N O5 S -","- C80 H72 N4 O20 S4 -","4","1","","Yongjia Shang; Kai Ju; Xinwei He; Jinsong Hu; Shuyan Yu; Min Zhang; Kaisheng Liao; Lifen Wang; Ping Zhang","Copper-Catalyzed Multicomponent Reaction: Synthesis of 4-Arylsulfonylimino-4,5-dihydrofuran Derivatives","Journal of Organic Chemistry","2010","75","","5743","5745","10.1021/jo1010075","","","0.71073","MoKα","","0.0726","0.0501","","","0.1473","0.1668","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025607","9.1655","0.0016","12.387","0.002","13.582","0.003","76.687","0.003","77.515","0.004","85.659","0.003","1464.5","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H10 I2 -","- C16 H10 I2 -","- C64 H40 I8 -","4","2","","Ke-Gong Ji; Hai-Tao Zhu; Fang Yang; Ali Shaukat; Xiao-Feng Xia; Yan-Fang Yang; Xue-Yuan Liu; Yong-Min Liang","Synthesis of Five- and Six-Membered Dihalogenated Heterocyclic Compounds by Electrophile-Triggered Cyclization","Journal of Organic Chemistry","2010","75","","5670","5678","10.1021/jo101085f","","","0.71073","MoKα","","0.0619","0.0462","","","0.116","0.1266","","","","","","1.012","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025608","8.392","0.004","18.882","0.009","12.334","0.006","90","","101.513","0.006","90","","1915.1","1.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br I N O3 S -","- C18 H17 Br I N O3 S -","- C72 H68 Br4 I4 N4 O12 S4 -","4","1","","Ke-Gong Ji; Hai-Tao Zhu; Fang Yang; Ali Shaukat; Xiao-Feng Xia; Yan-Fang Yang; Xue-Yuan Liu; Yong-Min Liang","Synthesis of Five- and Six-Membered Dihalogenated Heterocyclic Compounds by Electrophile-Triggered Cyclization","Journal of Organic Chemistry","2010","75","","5670","5678","10.1021/jo101085f","","","0.71073","MoKα","","0.0611","0.0348","","","0.0806","0.0903","","","","","","1.043","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025609","8.2332","0.0003","11.5989","0.0004","23.8708","0.0009","90","","90","","90","","2279.57","0.14","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O2 Si -","- C23 H33 N O2 Si -","- C92 H132 N4 O8 Si4 -","4","1","","Thérèse Hémery; Robert Huenerbein; Roland Fröhlich; Stefan Grimme; Dieter Hoppe","Configurationally Labile Enantioenriched Lithiated 3-Arylprop-2-enyl Carbamates: Joint Experimental and Quantum Chemical Investigations on the Equilibrium of Epimers","Journal of Organic Chemistry","2010","75","","5716","5720","10.1021/jo101218z","","","1.54178","CuKα","","0.0398","0.0385","","","0.1024","0.1041","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025610","8.6584","0.0007","10.3926","0.0008","12.331","0.001","79.838","0.001","84.145","0.002","72.619","0.001","1040.87","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 F6 N Sb -","- C23 H18 F6 N Sb -","- C46 H36 F12 N2 Sb2 -","2","1","","Fang Liu; Xiao Ding; Lei Zhang; Yu Zhou; Linxiang Zhao; Hualiang Jiang; Hong Liu","Silver- and Gold-Mediated Intramolecular Cyclization to Substituted Tetracyclic Isoquinolizinium Hexafluorostilbates","Journal of Organic Chemistry","2010","75","","5810","5820","10.1021/jo1006174","","","0.71073","MoKα","","0.0422","0.0363","","","0.0801","0.0825","","","","","","1.009","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025611","10.648","0.003","10.193","0.004","13.876","0.003","90","","97.8","0.019","90","","1492.1","0.8","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C27 H32 Cl N2 O12 P -","- C27 H32 Cl N2 O12 P -","- C54 H64 Cl2 N4 O24 P2 -","2","1","","Leticia Quintero; Mario Sánchez-Vazquez; Silvano Cruz-Gregorio; Fernando Sartillo-Piscil","On the Existence of the Chair Conformation in Six-Membered Ring Phosphates Bearing an Aryl Group Axially Oriented at the C4 Position: Cyclic Nucleotides As Model Compounds for Cyclic Phosph(on)ate and Phosphoramide Prodrugs","Journal of Organic Chemistry","2010","75","","5852","5859","10.1021/jo100863n","","x-ray","0.71073","MoKα","","0.1913","0.0516","","","0.1055","0.1511","","","","","","0.873","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025612","6.2542","0.0005","15.983","0.002","10.437","0.001","90","","92.812","0.008","90","","1042.04","0.18","299","","299","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Marcus Angelin; Martin Rahm; Andreas Fischer; Tore Brinck; Olof Ramström","Diastereoselective One-Pot Tandem Synthesis of 3-Substituted Isoindolinones: A Mechanistic Investigation","Journal of Organic Chemistry","2010","75","","5882","5887","10.1021/jo100868z","","","0.71073","MoKα","","0.1","0.057","","","0.127","0.151","","","","","","1.02","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025613","35.53","0.005","35.53","0.005","5.4355","0.0007","90","","90","","120","","5942.4","1.4","299","","299","","","","","","","","Local laboratory","4","R -3 :H","-R 3","148","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C198 H216 N36 O54 -","18","1","","Marcus Angelin; Martin Rahm; Andreas Fischer; Tore Brinck; Olof Ramström","Diastereoselective One-Pot Tandem Synthesis of 3-Substituted Isoindolinones: A Mechanistic Investigation","Journal of Organic Chemistry","2010","75","","5882","5887","10.1021/jo100868z","","","0.71073","MoKα","","0.127","0.095","","","0.251","0.283","","","","","","1.06","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025614","10.626","0.002","5.8228","0.0012","16.673","0.004","90","","104.11","0.02","90","","1000.5","0.4","299","","299","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C40 H40 N8 O16 -","4","1","","Marcus Angelin; Martin Rahm; Andreas Fischer; Tore Brinck; Olof Ramström","Diastereoselective One-Pot Tandem Synthesis of 3-Substituted Isoindolinones: A Mechanistic Investigation","Journal of Organic Chemistry","2010","75","","5882","5887","10.1021/jo100868z","","","0.71073","MoKα","","0.142","0.055","","","0.093","0.116","","","","","","1.01","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025615","12.9604","0.0004","13.9264","0.0003","20.6986","0.0005","90","","105.49","0.01","90","","3600.2","0.2","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-fluoro-(2-nitro-3,4,5,6-tetrafluorophenyl)-bis(triphenylphosphino)- palladium(ii)","","- C42 H30 F5 N O2 P2 Pd -","- C42 H30 F5 N O2 P2 Pd -","- C168 H120 F20 N4 O8 P8 Pd4 -","4","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","","0.71073","MoKα","","0.0572","0.0447","","","0.1035","0.1095","","","","","","1.051","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025616","7.6907","0.0005","11.4847","0.0008","11.9766","0.0008","90","","92.53","0.02","90","","1056.81","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3,4,5-tetrafluoro-6-nitrobiphenyl","","- C12 H5 F4 N O2 -","- C12 H5 F4 N O2 -","- C48 H20 F16 N4 O8 -","4","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","","0.71073","Mo-Kα","","0.1236","0.0664","","","0.1702","0.1927","","","","","","1.014","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025617","6.2677","0.0003","9.9095","0.0005","12.429","0.0006","82.398","0.01","85.577","0.01","72.896","0.01","730.74","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,3,4,5-tetrafluoro-6-nitro-[1,1':4',1""-terphenyl]","","- C18 H9 F4 N O2 -","- C18 H9 F4 N O2 -","- C36 H18 F8 N2 O4 -","2","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","","0.71073","MoKα","","0.0695","0.0435","","","0.1365","0.1882","","","","","","1.046","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025618","8.0491","0.0004","9.1029","0.0004","11.7075","0.0005","90","","94.49","0.03","90","","855.18","0.08","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3,5-trifluoro-N,N-dimethyl-4-nitroaniline","","- C8 H7 F3 N2 O2 -","- C8 H7 F3 N2 O2 -","- C32 H28 F12 N8 O8 -","4","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","x-ray","0.71073","MoKα","K-L~3~","0.0866","0.0565","","","0.1224","0.1343","","","","","","1.055","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025619","12.5365","0.0007","7.5063","0.0004","11.0598","0.0006","90","","97.89","0.02","90","","1030.9","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3,4-trifluoro-6-nitrobiphenyl","","- C12 H6 F3 N O2 -","- C12 H6 F3 N O2 -","- C48 H24 F12 N4 O8 -","4","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","x-ray","0.71073","MoKα","K-L~3~","0.0429","0.035","","","0.0996","0.1084","","","","","","1.033","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025620","11.628","0.0002","12.1588","0.0002","14.4292","0.0002","90","","90","","90","","2040.04","0.06","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4,5-trifluoro-6-nitrobiphenyl","","- C12 H6 F3 N O2 -","- C12 H6 F3 N O2 -","- C96 H48 F24 N8 O16 -","8","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","x-ray","0.71073","MoKα","K-L~3~","0.0518","0.0414","","","0.1206","0.1302","","","","","","1.08","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025621","8.548","0.0003","19.9436","0.0008","9.6298","0.0004","90","","95.535","0.001","90","","1634.01","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N O4 S -","- C13 H25 N O4 S -","- C52 H100 N4 O16 S4 -","4","2","","Bing Wang","Practical Enantiospecific Synthesis of an Orthogonally Protected 1,4-trans-1,5-cis- 4,5-Diamino-2-cyclopenten-1-ol Derivative","Journal of Organic Chemistry","2010","75","","6012","6015","10.1021/jo1009118","","","0.71073","MoKα","","0.0341","0.0322","","","0.0878","0.09","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025622","9.6663","0.0005","8.5121","0.0005","9.8764","0.0006","90","","104.98","0.001","90","","785.02","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N O4 S -","- C13 H25 N O4 S -","- C26 H50 N2 O8 S2 -","2","1","","Bing Wang","Practical Enantiospecific Synthesis of an Orthogonally Protected 1,4-trans-1,5-cis- 4,5-Diamino-2-cyclopenten-1-ol Derivative","Journal of Organic Chemistry","2010","75","","6012","6015","10.1021/jo1009118","","","0.71073","MoKα","","0.0443","0.0435","","","0.1036","0.1043","","","","","","1.057","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025623","8.565","0.002","11.287","0.003","15.105","0.004","105.579","0.006","96.849","0.006","91.493","0.006","1394","0.6","273","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O3 S -","- C16 H14 O3 S -","- C64 H56 O12 S4 -","4","2","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.1181","0.0555","","","0.115","0.1286","","","","","","0.917","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025624","6.5804","0.0008","8.36","0.001","19.89","0.002","90","","91.982","0.003","90","","1093.5","0.2","273","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O3 S -","- C11 H12 O3 S -","- C44 H48 O12 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.1683","0.0504","","","0.1083","0.1435","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025625","23.883","0.004","12.951","0.002","8.6539","0.0015","90","","94.354","0.004","90","","2669","0.8","273","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C104 H128 O24 S8 -","8","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.093","0.0553","","","0.1484","0.1702","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025626","8.7132","0.0017","5.6561","0.0011","28.874","0.006","90","","91.27","0.03","90","","1422.6","0.5","293","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 F O3 S -","- C16 H13 F O3 S -","- C64 H52 F4 O12 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.0968","0.0589","","","0.1556","0.1721","","","","","","1.072","","","","has coordinates,has Fobs","178435","2020-10-21","18:00:00",""
"4025627","6.584","0.0013","8.35","0.0017","20.276","0.004","90","","91.51","0.03","90","","1114.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F O3 S -","- C11 H11 F O3 S -","- C44 H44 F4 O12 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.1624","0.0577","","","0.1344","0.1736","","","","","","0.98","","","","has coordinates,has Fobs","178435","2020-10-21","18:00:00",""
"4025628","6.4511","0.0011","23.992","0.004","8.5589","0.0015","90","","101.452","0.004","90","","1298.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 F O3 S -","- C13 H15 F O3 S -","- C52 H60 F4 O12 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.1412","0.0489","","","0.1131","0.15","","","","","","1.012","","","","has coordinates,has Fobs","178435","2020-10-21","18:00:00",""
"4025629","17.101","0.002","10.5638","0.0013","8.961","0.0011","90","","106.202","0.003","90","","1554.5","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H16 O4 S -","- C17 H16 O4 S -","- C68 H64 O16 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.0575","0.0479","","","0.1218","0.1289","","","","","","1.034","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025630","6.713","0.0009","8.3292","0.0011","21.452","0.003","90","","94.835","0.003","90","","1195.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O4 S -","- C12 H14 O4 S -","- C48 H56 O16 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.097","0.078","","","0.1663","0.174","","","","","","1.19","","","","has coordinates,has Fobs","178435","2020-10-21","18:00:00",""
"4025631","12.7","0.0013","12.974","0.0012","8.7134","0.0008","90","","92.571","0.002","90","","1434.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C56 H72 O16 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.153","0.0591","","","0.1392","0.1761","","","","","","0.99","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025632","9.733","0.0019","5.6544","0.0011","11.165","0.002","90","","93.49","0.03","90","","613.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O4 S -","- C12 H14 O4 S -","- C24 H28 O8 S2 -","2","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.1279","0.0736","","","0.1683","0.203","","","","","","1.016","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025633","7.3503","0.0015","11.878","0.002","33.132","0.007","90","","90","","90","","2892.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br2 N4 O5 -","- C27 H22 Br2 N4 O5 -","- C108 H88 Br8 N16 O20 -","4","1","","Carrie E. Aroyan; Alpay Dermenci; Scott J. Miller","Development of a Cysteine-Catalyzed Enantioselective Rauhut-Currier Reaction","Journal of Organic Chemistry","2010","75","","5784","5796","10.1021/jo101018t","","","0.71073","MoKα","","0.0891","0.0521","","","0.1252","0.1417","","","","","","1.008","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025634","18.588","0.013","8.804","0.006","22.536","0.016","90","","90","","90","","3688","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H15 Cl N4 O -","- C22 H15 Cl N4 O -","- C176 H120 Cl8 N32 O8 -","8","1","","Hai-Ming Guo; Pu Li; Hong-Ying Niu; Dong-Chao Wang; Gui-Rong Qu","Direct Synthesis of 6-Arylpurines by Reaction of 6-Chloropurines with Activated Aromatics","Journal of Organic Chemistry","2010","75","","6016","6018","10.1021/jo1010334","","","0.71073","MoKα","","0.0778","0.0494","","","0.1134","0.1316","","","","","","1.025","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025635","10.961","0.006","11.645","0.011","12.217","0.013","112.2","0.04","93.93","0.03","91.2","0.01","1439","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 N2 O5 S -","- C31 H35.7 N2 O5 S -","- C62 H71.4 N4 O10 S2 -","2","1","","Nobuko Watanabe; Yusuke Sano; Haruna Suzuki; Masatoshi Tanimura; Hisako K. Ijuin; Masakatsu Matsumoto","Synthesis of Thermally Stable Acylamino-Substituted Bicyclic Dioxetanes and Their Base-Induced Chemiluminescent Decomposition","Journal of Organic Chemistry","2010","75","","5920","5926","10.1021/jo101114b","","","0.7107","MoKα","","","0.066","","","","0.213","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025636","9.914","0.012","14.57","0.03","15.83","0.04","105.41","0.05","90.26","0.05","94.46","0.05","2197","8","173.1","","173.1","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H35 N O4 -","- C22 H34.5 N O4 -","- C88 H138 N4 O16 -","4","2","","Nobuko Watanabe; Yusuke Sano; Haruna Suzuki; Masatoshi Tanimura; Hisako K. Ijuin; Masakatsu Matsumoto","Synthesis of Thermally Stable Acylamino-Substituted Bicyclic Dioxetanes and Their Base-Induced Chemiluminescent Decomposition","Journal of Organic Chemistry","2010","75","","5920","5926","10.1021/jo101114b","","","0.7107","MoKα","","","0.078","","","","0.204","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025637","28.657","0.002","11.1553","0.0007","6.0182","0.0005","90","","90","","90","","1923.9","0.2","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.0789","0.0438","","","0.0927","0.1068","","","","","","1.017","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025638","11.603","0.0003","11.3376","0.0003","17.0185","0.0006","90","","91.385","0.002","90","","2238.13","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O3 S -","- C26 H25 N O3 S -","- C104 H100 N4 O12 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.1275","0.0864","","","0.2751","0.3167","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025639","28.7069","0.0008","11.1373","0.0003","6.0181","0.0002","90","","90","","90","","1924.09","0.1","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H20 Br N O3 S -","- C20 H20 Br N O3 S -","- C80 H80 Br4 N4 O12 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.0417","0.0316","","","0.066","0.0687","","","","","","1.042","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025640","12.7243","0.0007","6.0218","0.0003","26.3225","0.0017","90","","99.333","0.002","90","","1990.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O5 S -","- C20 H20 N2 O5 S -","- C80 H80 N8 O20 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.203","0.0881","","","0.2578","0.3541","","","","","","1.025","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025641","10.5177","0.0002","8.3547","0.0002","26.6108","0.0007","90","","94.834","0.001","90","","2330.03","0.09","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O3 S -","- C27 H27 N O3 S -","- C108 H108 N4 O12 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025642","10.6205","0.0004","15.0939","0.0006","11.2337","0.0005","90","","113.239","0.002","90","","1654.71","0.12","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","2","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.1551","0.0911","","","0.2247","0.2775","","","","","","1.001","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025643","5.5989","0.0002","8.4736","0.0003","34.6488","0.0013","90","","90","","90","","1643.84","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.1649","0.0558","","","0.1463","0.2008","","","","","","0.909","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025644","6.85647","0.00012","14.9418","0.0003","31.6799","0.0007","90","","90","","90","","3245.54","0.11","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 N2 O9 S -","- C35 H40 N2 O9 S -","- C140 H160 N8 O36 S4 -","4","1","","Naoyuki Shimada; Taiki Hanari; Yasunobu Kurosaki; Koji Takeda; Masahiro Anada; Hisanori Nambu; Motoo Shiro; Shunichi Hashimoto","Catalytic Asymmetric Synthesis of theendo-6-Aryl-8-oxabicyclo[3.2.1]oct-3-en-2-one Natural Product fromLigusticum chuanxingvia 1,3-Dipolar Cycloaddition of a Formyl-Derived Carbonyl Ylide Using Rh2(S-TCPTTL)4","Journal of Organic Chemistry","2010","75","","6039","6042","10.1021/jo101175b","","","1.54187","CuKα","","","0.0353","","","","0.0959","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025645","26.5869","0.0012","5.4737","0.0003","14.5005","0.0007","90","","95.769","0.001","90","","2099.55","0.18","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H28 Cl N O2 -","- C24 H28 Cl N O2 -","- C96 H112 Cl4 N4 O8 -","4","1","","Stijn Dekeukeleire; Matthias D'hooghe; Karl Wilhelm Törnroos; Norbert De Kimpe","Stereoselective Synthesis of Chiral 4-(1-Chloroalkyl)-β-Lactams Starting from Amino Acids and Their Transformation into Functionalized Chiral Azetidines and Pyrrolidines","Journal of Organic Chemistry","2010","75","","5934","5940","10.1021/jo101220q","","","0.71073","MoKα","","0.0298","0.0292","","","0.0838","0.0845","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025646","19.6437","0.0009","7.677","0.0004","24.64","0.0011","90","","90","","90","","3715.8","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C168 H152 N8 O24 S8 -","8","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0851","0.0538","","","0.1452","0.1745","","","","","","1.054","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025647","14.0279","0.0014","6.5441","0.0007","22.361","0.002","90","","91.93","0.002","90","","2051.6","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0946","0.0557","","","0.1499","0.1842","","","","","","1.018","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025648","8.2529","0.0007","11.7634","0.001","19.964","0.0017","90","","91.06","0.001","90","","1937.8","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0626","0.0425","","","0.1156","0.1351","","","","","","1.045","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025649","7.8733","0.0012","9.7887","0.0015","13.227","0.002","97.03","0.002","96.452","0.002","107.614","0.002","952.2","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C42 H42 N2 O8 S2 -","2","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0453","0.0366","","","0.1015","0.1103","","","","","","1.022","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025650","9.0169","0.0014","11.4036","0.0018","12.0895","0.0019","92.826","0.002","110.953","0.002","102.671","0.002","1121.4","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O2 S -","- C27 H23 N O2 S -","- C54 H46 N2 O4 S2 -","2","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0897","0.0528","","","0.1473","0.1707","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025651","15.589","0.0009","5.704","0.0003","44.433","0.002","90","","90","","90","","3951","0.4","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C184 H184 N8 O24 S8 -","8","2","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0921","0.0479","","","0.0997","0.118","","","","","","1.007","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025652","44.936","0.003","5.6528","0.0003","15.1617","0.0009","90","","101.718","0.001","90","","3771","0.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C176 H168 N8 O24 S8 -","8","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0552","0.0402","","","0.1081","0.1209","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025653","9.9889","0.0007","11.4918","0.0008","9.6399","0.0007","90","","90","","90","","1106.57","0.14","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H18 N2 O2 -","- C9 H18 N2 O2 -","- C36 H72 N8 O8 -","4","1","","Dmytro S. Radchenko; Sergiy O. Pavlenko; Oleksandr O. Grygorenko; Dmitriy M. Volochnyuk; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","Cyclobutane-Derived Diamines: Synthesis and Molecular Structure","Journal of Organic Chemistry","2010","75","","5941","5952","10.1021/jo101271h","","","0.71073","MoKα","","0.0845","0.0542","","","0.1204","0.1338","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025654","8.1775","0.0006","11.2741","0.0008","11.5261","0.0007","74.86","0.006","71.782","0.006","75.209","0.006","956.7","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","","Dmytro S. Radchenko; Sergiy O. Pavlenko; Oleksandr O. Grygorenko; Dmitriy M. Volochnyuk; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","Cyclobutane-Derived Diamines: Synthesis and Molecular Structure","Journal of Organic Chemistry","2010","75","","5941","5952","10.1021/jo101271h","","","0.71073","MoKα","","0.1479","0.0362","","","0.0668","0.0781","","","","","","0.641","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025655","9.9288","0.001","12.6735","0.0013","15.7735","0.0015","90","","90","","90","","1984.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O6 -","- C21 H20 N4 O6 -","- C84 H80 N16 O24 -","4","1","","Dmytro S. Radchenko; Sergiy O. Pavlenko; Oleksandr O. Grygorenko; Dmitriy M. Volochnyuk; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","Cyclobutane-Derived Diamines: Synthesis and Molecular Structure","Journal of Organic Chemistry","2010","75","","5941","5952","10.1021/jo101271h","","","0.71073","MoKα","","0.1611","0.037","","","0.0567","0.0672","","","","","","0.625","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025656","15.128","0.003","5.9797","0.0011","19.539","0.004","90","","107.58","0.02","90","","1685","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N3 O5 -","- C16 H21 N3 O5 -","- C64 H84 N12 O20 -","4","1","","Dmytro S. Radchenko; Sergiy O. Pavlenko; Oleksandr O. Grygorenko; Dmitriy M. Volochnyuk; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","Cyclobutane-Derived Diamines: Synthesis and Molecular Structure","Journal of Organic Chemistry","2010","75","","5941","5952","10.1021/jo101271h","","","0.71073","MoKα","","0.1583","0.0386","","","0.0647","0.0768","","","","","","0.64","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025657","16.2623","0.001","11.1128","0.001","19.894","0.001","90","","90","","90","","3595.2","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","1","","Eric Gayon; Olivier Debleds; Marie Nicouleau; Frederic Lamaty; Arie van der Lee; Emmanuel Vrancken; Jean-Marc Campagne","Highly Diastereoselective Baldwin Rearrangement of Isoxazolines intocis-Acylaziridines","Journal of Organic Chemistry","2010","75","","6050","6053","10.1021/jo101273d","","","0.71073","MoKα","","0.1007","0.0448","","0.0803","0.0522","0.0522","","","","","","0.9605","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025658","10.5601","0.0006","13.1228","0.0007","13.8186","0.0008","90","","90","","90","","1914.96","0.19","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Nitin T. Patil; Anil Kumar Mutyala; Pediredla G. V. V. Lakshmi; Balakrishna Gajula; Balasubramanian Sridhar; Gurava Reddy Pottireddygari; Tadikamalla Prabhakar Rao","Au(I)-Catalyzed Cascade Reaction Involving Formal Double Hydroamination of Alkynes Bearing Tethered Carboxylic Groups: An Easy Access to Fused Dihydrobenzimidazoles and Tetrahydroquinazolines","Journal of Organic Chemistry","2010","75","","5963","5975","10.1021/jo1013228","","","0.71073","MoKα","","0.0444","0.0407","","","0.1163","0.1206","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025659","7.2069","0.0005","12.8071","0.0009","11.4143","0.0008","90","","99.088","0.001","90","","1040.31","0.13","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Nitin T. Patil; Anil Kumar Mutyala; Pediredla G. V. V. Lakshmi; Balakrishna Gajula; Balasubramanian Sridhar; Gurava Reddy Pottireddygari; Tadikamalla Prabhakar Rao","Au(I)-Catalyzed Cascade Reaction Involving Formal Double Hydroamination of Alkynes Bearing Tethered Carboxylic Groups: An Easy Access to Fused Dihydrobenzimidazoles and Tetrahydroquinazolines","Journal of Organic Chemistry","2010","75","","5963","5975","10.1021/jo1013228","","","0.71073","MoKα","","0.0391","0.0359","","","0.0968","0.0996","","","","","","1.041","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025660","6.5422","0.0004","17.2499","0.001","9.8157","0.0006","90","","100.007","0.001","90","","1090.87","0.11","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 F N2 O -","- C12 H13 F N2 O -","- C48 H52 F4 N8 O4 -","4","1","","Nitin T. Patil; Anil Kumar Mutyala; Pediredla G. V. V. Lakshmi; Balakrishna Gajula; Balasubramanian Sridhar; Gurava Reddy Pottireddygari; Tadikamalla Prabhakar Rao","Au(I)-Catalyzed Cascade Reaction Involving Formal Double Hydroamination of Alkynes Bearing Tethered Carboxylic Groups: An Easy Access to Fused Dihydrobenzimidazoles and Tetrahydroquinazolines","Journal of Organic Chemistry","2010","75","","5963","5975","10.1021/jo1013228","","","0.71073","MoKα","","0.0414","0.0393","","","0.1044","0.1072","","","","","","1.046","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025661","10.00645","0.00018","10.00645","0.00018","13.4991","0.0003","90","","90","","90","","1351.65","0.05","173.1","","","","","","","","","","","4","P 43","P 4cw","78","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0404","","","","0.1002","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025662","10.00744","0.00018","10.00744","0.00018","13.5007","0.0003","90","","90","","90","","1352.08","0.05","123.1","","","","","","","","","","","4","P 41","P 4w","76","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0264","","","","0.0615","","","","","","1.278","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025663","8.8513","0.0003","11.3404","0.0003","14.4414","0.0005","90","","90","","90","","1449.59","0.08","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0344","","","","0.0752","","","","","","0.862","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025664","8.85223","0.00016","11.3388","0.0002","14.4403","0.0003","90","","90","","90","","1449.43","0.05","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0381","","","","0.1091","","","","","","0.966","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025665","8.62372","0.00016","11.6285","0.0002","14.8609","0.0003","90","","90","","90","","1490.26","0.05","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0429","","","","0.0992","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025666","7.1034","0.0002","14.6592","0.0003","13.7707","0.0003","90","","93.5768","0.0007","90","","1431.15","0.06","113.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 S -","- C18 H18 N2 S -","- C72 H72 N8 S4 -","4","1","","Motonori Watanabe; Kenta Goto; Masahiko Shibahara; Teruo Shinmyozu","Synthesis, Structure, and Electronic and Photophysical Properties of Two- and Three-Layered [3.3]Paracyclophane-Based Donor-Acceptor Systems(1)","Journal of Organic Chemistry","2010","75","","6104","6114","10.1021/jo100688m","","","0.7107","MoKα","","","0.0433","","","","0.1382","","","","","","1.849","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025667","9.288","0.005","14.087","0.007","11.25","0.007","90","","90","","90","","1472","1.4","123.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H14 N2 O2 S -","- C18 H14 N2 O2 S -","- C72 H56 N8 O8 S4 -","4","0.5","","Motonori Watanabe; Kenta Goto; Masahiko Shibahara; Teruo Shinmyozu","Synthesis, Structure, and Electronic and Photophysical Properties of Two- and Three-Layered [3.3]Paracyclophane-Based Donor-Acceptor Systems(1)","Journal of Organic Chemistry","2010","75","","6104","6114","10.1021/jo100688m","","","0.7107","MoKα","","","0.0364","","","","0.1049","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025668","21.208","0.004","16.936","0.002","13.147","0.003","90","","90","","90","","4722.1","1.5","123","2","123","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C30 H32 N2 S -","- C30 H32 N2 S -","- C240 H256 N16 S8 -","8","","","Motonori Watanabe; Kenta Goto; Masahiko Shibahara; Teruo Shinmyozu","Synthesis, Structure, and Electronic and Photophysical Properties of Two- and Three-Layered [3.3]Paracyclophane-Based Donor-Acceptor Systems(1)","Journal of Organic Chemistry","2010","75","","6104","6114","10.1021/jo100688m","","","0.71075","MoKα","","0.0735","0.072","","","0.2032","0.2054","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025669","13.1521","0.0019","8.7654","0.0013","9.6224","0.0014","90","","100.693","0.002","90","","1090","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F O -","- C14 H11 F O -","- C56 H44 F4 O4 -","4","1","","Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich","Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues","Journal of Organic Chemistry","2010","75","","6163","6172","10.1021/jo100970r","","","0.71073","Mo-Kα","","0.0534","0.0371","","","0.115","0.1268","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025670","19.7863","0.0003","20.0114","0.0004","23.0268","0.0004","90","","90","","90","","9117.5","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H74 F N13 O P4 -","- C36 H74 F N13 O P4 -","- C288 H592 F8 N104 O8 P32 -","8","2","","Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich","Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues","Journal of Organic Chemistry","2010","75","","6163","6172","10.1021/jo100970r","","","1.54178","Cu-Kα","","0.0405","0.0377","","","0.0971","0.0989","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025671","31.1042","0.0005","7.9346","0.0001","17.6162","0.0003","90","","92.5997","0.0009","90","","4343.19","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H31 F Li N3 O -","- C23 H31 F Li N3 O -","- C184 H248 F8 Li8 N24 O8 -","8","1","","Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich","Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues","Journal of Organic Chemistry","2010","75","","6163","6172","10.1021/jo100970r","","","1.54178","CuKα","","0.0553","0.0537","","","0.1419","0.1433","","","","","","1.007","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025672","10.0232","0.0004","13.2311","0.0005","19.1945","0.0007","93.541","0.002","103.269","0.002","105.102","0.002","2371.91","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 F2 Li2 O8 -","- C52 H68 F2 Li2 O8 -","- C104 H136 F4 Li4 O16 -","2","1","","Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich","Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues","Journal of Organic Chemistry","2010","75","","6163","6172","10.1021/jo100970r","","","1.54178","CuKα","","0.0589","0.0562","","","0.138","0.14","","","","","","1.054","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025673","16.5227","0.001","11.5657","0.0007","18.3123","0.0012","90","","91.656","0.002","90","","3498","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H63 N13 P4 -","- C22 H63 N13 P4 -","- C88 H252 N52 P16 -","4","1","","Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich","Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues","Journal of Organic Chemistry","2010","75","","6163","6172","10.1021/jo100970r","","","1.54178","CuKα","","0.0311","0.0295","","","0.0801","0.0815","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025674","7.687","0.005","10.97","0.002","19.972","0.004","90","","90","","90","","1684.2","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Manas K. Ghorai; Deo Prakash Tiwari","Lewis Acid Catalyzed Highly Stereoselective Domino-Ring-Opening Cyclization of Activated Aziridines with Enolates: Synthesis of Functionalized Chiral γ-Lactams","Journal of Organic Chemistry","2010","75","","6173","6181","10.1021/jo101004x","","","0.71073","MoKα","","0.0857","0.0613","","","0.1507","0.1856","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025675","13.3422","0.0002","22.6427","0.0004","21.7077","0.0003","90","","102.572","0.0016","90","","6400.74","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C71 H86 N6 O3 -","- C71 H86 N6 O3 -","- C284 H344 N24 O12 -","4","1","","Grazia Cafeo; Howard M. Colquhoun; Angela Cuzzola; Mario Gattuso; Franz H. Kohnke; Luca Valenti; Andrew J. P. White","Synthesis, X-ray Structure, and Anion-Binding Properties of a Cryptand-Like Hybrid Calixpyrrole","Journal of Organic Chemistry","2010","75","","6263","6266","10.1021/jo1010262","","","0.71073","MoKα","","0.091","0.0511","","","0.1244","0.1328","","","","","","0.97","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025676","8.116","0.003","8.813","0.003","10.402","0.003","90","","112.059","0.004","90","","689.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C30 H40 N4 O4 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Construction of Peptoids with All Trans-Amide Backbones and Peptoid Reverse Turns via the Tactical Incorporation of N-Aryl Side Chains Capable of Hydrogen Bonding","Journal of Organic Chemistry","2010","75","","6068","6078","10.1021/jo101075a","","","0.71073","MoKα","","0.0515","0.0427","","","0.114","0.123","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025677","8.7424","0.0003","12.4268","0.0004","15.4933","0.0005","81.016","0.002","81.487","0.002","84.078","0.002","1638.7","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","2","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Construction of Peptoids with All Trans-Amide Backbones and Peptoid Reverse Turns via the Tactical Incorporation of N-Aryl Side Chains Capable of Hydrogen Bonding","Journal of Organic Chemistry","2010","75","","6068","6078","10.1021/jo101075a","","","1.54178","CuKα","","0.0458","0.0369","","","0.0915","0.0972","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025678","8.66","0.0002","29.0866","0.0007","11.5414","0.0003","90","","91.706","0.001","90","","2905.87","0.12","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C120 H160 N16 O24 -","8","2","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Construction of Peptoids with All Trans-Amide Backbones and Peptoid Reverse Turns via the Tactical Incorporation of N-Aryl Side Chains Capable of Hydrogen Bonding","Journal of Organic Chemistry","2010","75","","6068","6078","10.1021/jo101075a","","","1.54178","CuKα","","0.037","0.0349","","","0.0943","0.0966","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025679","10.7078","0.001","12.1574","0.0013","13.2918","0.0012","107.653","0.007","109.664","0.007","93.441","0.008","1527.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H35 N5 O7 -","- C31 H35 N5 O7 -","- C62 H70 N10 O14 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Construction of Peptoids with All Trans-Amide Backbones and Peptoid Reverse Turns via the Tactical Incorporation of N-Aryl Side Chains Capable of Hydrogen Bonding","Journal of Organic Chemistry","2010","75","","6068","6078","10.1021/jo101075a","","","1.54178","Cu-Kα","","0.1472","0.0926","","","0.2323","0.2717","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025680","5.6623","0.0006","10.0775","0.0009","16.324","0.002","90","","90","","90","","931.48","0.17","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 S3 -","- C9 H8 S3 -","- C36 H32 S12 -","4","1","","William Clegg; Ross W. Harrington; Michael North; Pedro Villuendas","A Bimetallic Aluminum(salen) Complex for the Synthesis of 1,3-Oxathiolane-2-thiones and 1,3-Dithiolane-2-thiones","Journal of Organic Chemistry","2010","75","","6201","6207","10.1021/jo101121h","","","0.71073","MoKα","","0.0986","0.071","","","0.1807","0.1886","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025681","12.759","0.007","10.142","0.005","6.664","0.003","90","","90","","90","","862.3","0.7","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C7 H10 S3 -","- C7 H10 S3 -","- C28 H40 S12 -","4","0.5","","William Clegg; Ross W. Harrington; Michael North; Pedro Villuendas","A Bimetallic Aluminum(salen) Complex for the Synthesis of 1,3-Oxathiolane-2-thiones and 1,3-Dithiolane-2-thiones","Journal of Organic Chemistry","2010","75","","6201","6207","10.1021/jo101121h","","","0.6889","synchrotron","","0.0937","0.0462","","","0.1037","0.1246","","","","","","1.014","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025682","13.169","0.005","6.129","0.002","13.994","0.005","90","","108.241","0.004","90","","1072.7","0.7","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O S3 -","- C10 H10 O S3 -","- C40 H40 O4 S12 -","4","1","","William Clegg; Ross W. Harrington; Michael North; Pedro Villuendas","A Bimetallic Aluminum(salen) Complex for the Synthesis of 1,3-Oxathiolane-2-thiones and 1,3-Dithiolane-2-thiones","Journal of Organic Chemistry","2010","75","","6201","6207","10.1021/jo101121h","","","0.6889","synchrotron","","0.0676","0.0582","","","0.1731","0.1793","","","","","","1.175","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025683","9.6709","0.0003","10.2215","0.0004","10.6585","0.0006","107.473","0.003","92.291","0.002","116.375","0.002","881.65","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N S -","- C23 H19 N S -","- C46 H38 N2 S2 -","2","1","","Xiaoxiang Zhang; Wan Teng Teo; Sally; Philip Wai Hong Chan","Brønsted Acid Catalyzed Cyclization of Propargylic Alcohols with Thioamides. Facile Synthesis of Di- and Trisubstituted Thiazoles","Journal of Organic Chemistry","2010","75","","6290","6293","10.1021/jo101292r","","","0.71073","MoKα","","0.0774","0.063","","","0.1952","0.2512","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025684","9.6923","0.0011","10.0308","0.0011","12.2838","0.0014","101.725","0.006","100.635","0.006","115.204","0.005","1007.3","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Cl N S -","- C25 H22 Cl N S -","- C50 H44 Cl2 N2 S2 -","2","1","","Xiaoxiang Zhang; Wan Teng Teo; Sally; Philip Wai Hong Chan","Brønsted Acid Catalyzed Cyclization of Propargylic Alcohols with Thioamides. Facile Synthesis of Di- and Trisubstituted Thiazoles","Journal of Organic Chemistry","2010","75","","6290","6293","10.1021/jo101292r","","","0.71073","MoKα","","0.0745","0.0484","","","0.1415","0.1707","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025685","5.3449","0.0008","17.133","0.003","10.4547","0.0015","90","","103.447","0.003","90","","931.1","0.3","298","1","298","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H28 N O S -","- C19 H29 N O S -","- C38 H58 N2 O2 S2 -","2","1","","José C. González-Gómez; Mohamed Medjahdi; Francisco Foubelo; Miguel Yus","Stereoselective α-Aminoallylation of Aldehydes with Chiraltert-Butanesulfinamides and Allyl Bromides","Journal of Organic Chemistry","2010","75","","6308","6311","10.1021/jo101379u","","","0.71073","MoKα","","0.0441","0.0394","","","0.098","0.1016","","","","","","1.03","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025686","12.0282","0.0001","34.3106","0.0006","11.2526","0.0001","90","","90","","90","","4643.89","0.1","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H16 O3 S -","- C11 H16 O3 S -","- C176 H256 O48 S16 -","16","1","","Michael G. Brant; Caleb M. Bromba; Jeremy E. Wulff","Tandem Vinylogous 1,2-Addition/Anionic Oxy-Cope Reaction Leading from Butadiene Sulfone to an Orthogonally Functionalized Bicycle","Journal of Organic Chemistry","2010","75","","6312","6315","10.1021/jo101389c","","","1.54178","CuKα","","0.0264","0.026","","","0.0666","0.0669","","","","","","1.077","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025687","12.2547","0.0002","27.5395","0.0005","9.9291","0.0002","90","","90","","90","","3350.96","0.11","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C144 H192 O24 S8 -","8","1","","Michael G. Brant; Caleb M. Bromba; Jeremy E. Wulff","Tandem Vinylogous 1,2-Addition/Anionic Oxy-Cope Reaction Leading from Butadiene Sulfone to an Orthogonally Functionalized Bicycle","Journal of Organic Chemistry","2010","75","","6312","6315","10.1021/jo101389c","","","1.54178","CuKα","","0.0498","0.04","","","0.098","0.1044","","","","","","1.028","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025688","10.727","0.003","8.296","0.002","28.816","0.007","90","","90.49","0.005","90","","2564.3","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H33 Cl N O4 -","- C31.5 H33 Cl N O4 -","- C126 H132 Cl4 N4 O16 -","4","1","","Harry Adams; Tareg M. Elsunaki; Isaac Ojea-Jiménez; Simon Jones; Anthony J. H. M. Meijer","Diastereoselective Cycloadditions and Transformations of N-Alkyl and N-Aryl Maleimides with Chiral 9-Anthrylethanol Derivatives","Journal of Organic Chemistry","2010","75","","6252","6262","10.1021/jo101437b","","","0.71073","MoKα","","0.1134","0.0656","","","0.157","0.1952","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025689","18.738","0.006","11.896","0.004","18.771","0.006","90","","110.337","0.004","90","","3923","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C184 H200 N8 O24 -","8","2","","Harry Adams; Tareg M. Elsunaki; Isaac Ojea-Jiménez; Simon Jones; Anthony J. H. M. Meijer","Diastereoselective Cycloadditions and Transformations of N-Alkyl and N-Aryl Maleimides with Chiral 9-Anthrylethanol Derivatives","Journal of Organic Chemistry","2010","75","","6252","6262","10.1021/jo101437b","","","0.71073","MoKα","","0.0646","0.0441","","","0.1021","0.112","","","","","","1.028","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025690","5.746","0.0018","11.149","0.004","11.329","0.004","90","","90","","90","","725.8","0.4","293","2","293","2","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","1-deoxy-5-thio-D-glucopyrano-3,6-lactone","","- C6 H8 O4 S -","- C6 H8 O4 S -","- C24 H32 O16 S4 -","4","1","","Thanikachalam Gunasundari; Srinivasan Chandrasekaran","Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin","Journal of Organic Chemistry","2010","75","","6685","6688","10.1021/jo1010125","","x-ray","0.71073","MoKα","","0.0748","0.0621","","","0.1907","0.2232","","","","","","1.221","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025691","4.8443","0.001","8.1458","0.0017","9.669","0.002","90","","94.02","0.003","90","","380.61","0.14","273","2","273","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","","1-deoxythiomannojirimycin","","- C6 H12 O4 S -","- C6 H12 O4 S -","- C12 H24 O8 S2 -","2","1","","Thanikachalam Gunasundari; Srinivasan Chandrasekaran","Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin","Journal of Organic Chemistry","2010","75","","6685","6688","10.1021/jo1010125","","x-ray","0.71073","MoKα","","0.0248","0.0247","","","0.0701","0.0703","","","","","","1.171","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025692","9.01","0.0004","9.01","0.0004","8.8021","0.0005","90","","90","","90","","714.56","0.06","296","2","296","2","","","","","","","see text","4","P 42","P 4c","77","","1-deoxy-5-thio-D-mannopyrano-3,6-lactone","","- C6 H8 O4 S -","- C6 H8 O4 S -","- C24 H32 O16 S4 -","4","1","","Thanikachalam Gunasundari; Srinivasan Chandrasekaran","Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin","Journal of Organic Chemistry","2010","75","","6685","6688","10.1021/jo1010125","","x-ray","0.71073","MoKα","","0.041","0.035","","","0.0838","0.0882","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025693","11.16","0.003","11.16","0.003","5.904","0.003","90","","90","","90","","735.3","0.5","293","2","293","2","","","","","","","see text","4","P 41","P 4w","76","","1-deoxy-5-thio-D-talopyrano-3,6-lactone","","- C6 H8 O4 S -","- C6 H8 O4 S -","- C24 H32 O16 S4 -","4","1","","Thanikachalam Gunasundari; Srinivasan Chandrasekaran","Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin","Journal of Organic Chemistry","2010","75","","6685","6688","10.1021/jo1010125","","x-ray","0.71073","MoKα","","0.0293","0.0285","","","0.0716","0.072","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025694","12.7495","0.0011","24.5625","0.0018","8.8304","0.0006","90","","105.175","0.009","90","","2668.9","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N O P Sn -","- C28 H28 N O P Sn -","- C112 H112 N4 O4 P4 Sn4 -","4","1","","David Aguilar; Ignacio Fernández; Luciano Cuesta; Víctor Yañez-Rodríguez; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia; Fernando López Ortiz","Synthesis, Structure, and Reactivity of N-Benzoyl Iminophosphoranes Ortho Lithiated at the Benzoyl Group","Journal of Organic Chemistry","2010","75","","6452","6462","10.1021/jo101151s","","","0.71073","MoKα","","0.2341","0.0787","","","0.1039","0.1225","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025695","8.5967","0.0015","16.076","0.003","21.506","0.004","90","","90","","90","","2972.1","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H58 P2 Pd -","- C26 H58 P2 Pd -","- C104 H232 P8 Pd4 -","4","0.5","","Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann","Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones","Journal of Organic Chemistry","2010","75","","6477","6488","10.1021/jo101187q","","","0.71073","MoKα","","0.0278","0.02","","","0.048","0.051","","","","","","1.043","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025696","9.0627","0.0009","19.0195","0.0019","18.0018","0.0018","90","","99.276","0.002","90","","3062.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H58 Cl2 P2 Pd -","- C26 H58 Cl2 P2 Pd -","- C104 H232 Cl8 P8 Pd4 -","4","1","","Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann","Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones","Journal of Organic Chemistry","2010","75","","6477","6488","10.1021/jo101187q","","","0.71073","MoKα","","0.0274","0.021","","","0.0455","0.0475","","","","","","1.058","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025697","8.9219","0.0005","13.8729","0.0008","15.1814","0.0009","90","","90","","90","","1879.04","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H34 Cl P Pd -","- C16 H34 Cl P Pd -","- C64 H136 Cl4 P4 Pd4 -","4","1","","Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann","Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones","Journal of Organic Chemistry","2010","75","","6477","6488","10.1021/jo101187q","","","0.71073","MoKα","","0.0307","0.0242","","","0.0434","0.0449","","","","","","1.02","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025698","46.091","0.007","8.9249","0.0014","16.729","0.003","90","","96.884","0.003","90","","6832","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H63 Cl P2 Pd2 -","- C29 H63 Cl P2 Pd2 -","- C232 H504 Cl8 P16 Pd16 -","8","1","","Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann","Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones","Journal of Organic Chemistry","2010","75","","6477","6488","10.1021/jo101187q","","","0.71073","MoKα","","0.0621","0.0419","","","0.0927","0.0987","","","","","","1.028","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025699","19.7973","0.0019","5.06","0.0004","12.4821","0.0011","90","","100.964","0.004","90","","1227.56","0.19","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N5 O -","- C12 H15 N5 O -","- C48 H60 N20 O4 -","4","1","","Alan R. Katritzky; Bahaa El-Dien M. El-Gendy; Bogdan Draghici; C. Dennis Hall; Peter J. Steel","NMR Study of the Tautomeric Behavior of N-(α-Aminoalkyl)tetrazoles","Journal of Organic Chemistry","2010","75","","6468","6476","10.1021/jo101195z","","","0.71073","MoKα","","0.1089","0.0426","","","0.0762","0.0875","","","","","","0.81","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025700","14.93","0.001","6.9429","0.0005","15.804","0.001","90","","90.334","0.007","90","","1638.18","0.19","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C16 H19 N O6 -","- C16 H19 N O6 -","- C64 H76 N4 O24 -","4","1","","Patricia Y. Hayes; Sharon Chow; Fredrik Rahm; Paul V. Bernhardt; James J. De Voss; William Kitching","Synthesis of the Sponge-Derived Plakortone Series of Bioactive Compounds","Journal of Organic Chemistry","2010","75","","6489","6501","10.1021/jo101224w","","x-ray","0.71073","MoKα","","0.0738","0.0413","","","0.1035","0.1193","","","","","","1.049","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025701","10.5863","0.0003","14.001","0.0004","25.4484","0.0008","90","","90","","90","","3771.93","0.19","183","2","183","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H26 O6 -","- C21 H26 O6 -","- C168 H208 O48 -","8","1","","Dae Won Cho; Ramakrishnan Parthasarathi; Adam S. Pimentel; Gabriel D. Maestas; Hea Jung Park; Ung Chan Yoon; Debra Dunaway-Mariano; S. Gnanakaran; Paul Langan; Patrick S. Mariano","Nature and Kinetic Analysis of Carbon-Carbon Bond Fragmentation Reactions of Cation Radicals Derived from SET-Oxidation of Lignin Model Compounds","Journal of Organic Chemistry","2010","75","","6549","6562","10.1021/jo1012509","","","0.71073","MoKα","","0.0518","0.042","","","0.1279","0.1429","","","","","","1","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025702","9.2852","0.0003","10.9825","0.0004","18.1638","0.0006","90","","92.663","0.002","90","","1850.25","0.11","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Isopropyl-7-methyl-4-oxo-1-aza- spiro[5.5]undecane-1-carboxylic acid tert-butyl ester","","- C19 H33 N O3 -","- C19 H33 N O3 -","- C76 H132 N4 O12 -","4","1","","James J. Sahn; Daniel L. Comins","[2 + 2] Photochemical Cycloaddition/Ring Opening of 6-Alkenyl-2,3-dihydro-4-pyridones","Journal of Organic Chemistry","2010","75","","6728","6731","10.1021/jo101276q","","","1.5418","CuKα","","0.0497","0.0378","","","0.0915","0.0971","","","","","","1.059","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025703","5.68","0.003","8.405","0.005","21.474","0.012","90","","90","","90","","1025.2","1","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Rachel L. Beingessner; Julie A. Farand; Louis Barriault","Progress toward the Total Synthesis of (\±)-Havellockate","Journal of Organic Chemistry","2010","75","","6337","6346","10.1021/jo101279z","","","0.71073","MoKα","","0.0287","0.0281","","","0.0808","0.0813","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025704","9.9024","0.0009","12.031","0.0012","7.4151","0.0005","90","","96.371","0.002","90","","877.95","0.13","108","2","108","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N6 O2 S -","- C6 H4 N6 O2 S -","- C24 H16 N24 O8 S4 -","4","1","","Alan R. Katritzky; Mirna El Khatib; Oleg Bol'shakov; Levan Khelashvili; Peter J. Steel","Benzotriazol-1-yl-sulfonyl Azide for Diazotransfer and Preparation of Azidoacylbenzotriazoles","Journal of Organic Chemistry","2010","75","","6532","6539","10.1021/jo101296s","","","0.71073","MoKα","","0.0595","0.038","","","0.0704","0.0756","","","","","","0.896","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025705","7.686","0.002","23.514","0.006","11.108","0.003","90","","100.007","0.004","90","","1977","0.9","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl2 Cu N10 O12 -","- C34 H38 Cl2 Cu N10 O12 -","- C68 H76 Cl4 Cu2 N20 O24 -","2","0.5","","Gui-Chao Kuang; Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Chelation-Assisted, Copper(II)-Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of Organic Chemistry","2010","75","","6540","6548","10.1021/jo101305m","","","0.71073","MoKα","","0.0426","0.0346","","","0.0896","0.0943","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025706","34.509","0.007","10.307","0.002","16.152","0.003","90","","92.643","0.002","90","","5738.9","1.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cl2 N7 O8 Zn -","- C24 H24 Br Cl2 N7 O8 Zn -","- C192 H192 Br8 Cl16 N56 O64 Zn8 -","8","1","","Gui-Chao Kuang; Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Chelation-Assisted, Copper(II)-Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of Organic Chemistry","2010","75","","6540","6548","10.1021/jo101305m","","","0.71073","MoKα","","0.0712","0.0617","","","0.2051","0.211","","","","","","1.254","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025707","15.4459","0.0011","21.1338","0.0015","19.5258","0.0014","90","","101.28","0.001","90","","6250.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 Br2 Cl4 Cu2 N15 O18 -","- C50 H55 Br2 Cl4 Cu2 N15 O18 -","- C200 H220 Br8 Cl16 Cu8 N60 O72 -","4","1","","Gui-Chao Kuang; Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Chelation-Assisted, Copper(II)-Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of Organic Chemistry","2010","75","","6540","6548","10.1021/jo101305m","","","0.71073","MoKα","","0.0489","0.0342","","","0.0787","0.0849","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025708","11.5336","0.0007","12.7083","0.0008","7.3491","0.0005","90","","105.434","0.001","90","","1038.33","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl4 Cu2 N8 -","- C14 H16 Cl4 Cu2 N8 -","- C28 H32 Cl8 Cu4 N16 -","2","0.5","","Gui-Chao Kuang; Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Chelation-Assisted, Copper(II)-Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of Organic Chemistry","2010","75","","6540","6548","10.1021/jo101305m","","","0.71073","MoKα","","0.0227","0.021","","","0.0467","0.0469","","","","","","2.652","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025709","6.9676","0.0005","15.4981","0.0011","22.8186","0.0017","90","","90","","90","","2464.1","0.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C128 H80 O16 S8 -","8","1","","Pankaj Jain; Gregory M. Ferrence; Timothy D. Lash","Preparation of Furan and Thiophene-Derived Fulvene Dialdehydes: Synthesis and Structural Characterization of a 22-Oxa-21-carbaporphyrin and a Related Palladium(II) Organometallic Complex","Journal of Organic Chemistry","2010","75","","6563","6573","10.1021/jo101310m","","x-ray","0.71073","MoKα","","0.0447","0.0386","","","0.0933","0.0974","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025710","9.2564","0.0016","10.2025","0.0017","13.072","0.002","81.894","0.002","74.682","0.002","77.448","0.002","1157.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O -","- C31 H28 N2 O -","- C62 H56 N4 O2 -","2","1","","Pankaj Jain; Gregory M. Ferrence; Timothy D. Lash","Preparation of Furan and Thiophene-Derived Fulvene Dialdehydes: Synthesis and Structural Characterization of a 22-Oxa-21-carbaporphyrin and a Related Palladium(II) Organometallic Complex","Journal of Organic Chemistry","2010","75","","6563","6573","10.1021/jo101310m","","x-ray","0.71073","MoKα","","0.0722","0.0463","","","0.1174","0.1346","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025711","7.6654","0.0015","11.183","0.002","13.786","0.003","81.1268","0.003","89.5817","0.0031","80.8755","0.0031","1152.7","0.4","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C31 H26 N2 O Pd -","- C31 H26 N2 O Pd -","- C62 H52 N4 O2 Pd2 -","2","1","","Pankaj Jain; Gregory M. Ferrence; Timothy D. Lash","Preparation of Furan and Thiophene-Derived Fulvene Dialdehydes: Synthesis and Structural Characterization of a 22-Oxa-21-carbaporphyrin and a Related Palladium(II) Organometallic Complex","Journal of Organic Chemistry","2010","75","","6563","6573","10.1021/jo101310m","","x-ray","0.71073","MoKα","","0.0561","0.0402","","","0.0722","0.0785","","","","","","1.066","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025712","7.355","0.003","19.337","0.007","11.651","0.004","90","","103.528","0.008","90","","1611.1","1","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Pankaj Jain; Gregory M. Ferrence; Timothy D. Lash","Preparation of Furan and Thiophene-Derived Fulvene Dialdehydes: Synthesis and Structural Characterization of a 22-Oxa-21-carbaporphyrin and a Related Palladium(II) Organometallic Complex","Journal of Organic Chemistry","2010","75","","6563","6573","10.1021/jo101310m","","x-ray","0.71073","MoKα","","0.0745","0.0534","","","0.1357","0.1498","","","","","","1.075","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025713","8.6136","0.0006","9.3565","0.0004","14.3087","0.0013","97.222","0.004","103.333","0.006","103.505","0.003","1071.24","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl N O2 -","- C26 H24 Cl N O2 -","- C52 H48 Cl2 N2 O4 -","2","1","","Devendra J. Vyas; Roland Fröhlich; Martin Oestreich","Stereochemical Surprises in the Lewis Acid-Mediated Allylation of Isatins","Journal of Organic Chemistry","2010","75","","6720","6723","10.1021/jo101420e","","","1.54178","CuKα","","0.0681","0.0616","","","0.1661","0.1713","","","","","","1.088","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025714","9.16","0.0002","9.4906","0.0002","25.9204","0.0007","90","","90","","90","","2253.36","0.09","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Devendra J. Vyas; Roland Fröhlich; Martin Oestreich","Stereochemical Surprises in the Lewis Acid-Mediated Allylation of Isatins","Journal of Organic Chemistry","2010","75","","6720","6723","10.1021/jo101420e","","","1.54178","CuKα","","0.0514","0.0429","","","0.1007","0.1079","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025715","9.3817","0.0002","10.3573","0.0004","21.6593","0.0012","90","","90","","90","","2104.61","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F N O2 -","- C26 H24 F N O2 -","- C104 H96 F4 N4 O8 -","4","1","","Devendra J. Vyas; Roland Fröhlich; Martin Oestreich","Stereochemical Surprises in the Lewis Acid-Mediated Allylation of Isatins","Journal of Organic Chemistry","2010","75","","6720","6723","10.1021/jo101420e","","","1.54178","CuKα","","0.0416","0.0381","","","0.0935","0.0963","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025716","9.592","0.003","17.603","0.005","19.168","0.005","90","","93.087","0.004","90","","3231.8","1.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H36 N4 O6 -","- C36 H36 N4 O6 -","- C144 H144 N16 O24 -","4","2","","Daniel P. Iwaniuk; Christian Wolf","A Versatile and Practical Solvating Agent for Enantioselective Recognition and NMR Analysis of Protected Amines","Journal of Organic Chemistry","2010","75","","6724","6727","10.1021/jo101426a","","","0.71073","MoKα","","0.0785","0.0482","","","0.1068","0.117","","","","","","0.977","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025717","8.5058","0.0017","13.765","0.003","25.132","0.005","90","","98.56","0.03","90","","2909.7","1.1","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O9 -","- C32 H28 N2 O9 -","- C128 H112 N8 O36 -","4","1","","Huan-Rui Pan; Yong-Jia Li; Cai-Xia Yan; Juan Xing; Ying Cheng","Multicomponent Reaction of Imidazo[1,5-a]pyridine Carbenes with Aldehydes and Dimethyl Acetylenedicarboxylate or Allenoates: A Straightforward Approach to Fully Substituted Furans","Journal of Organic Chemistry","2010","75","","6644","6652","10.1021/jo1014933","","","0.71073","MoKα","","0.0593","0.0485","","","0.1145","0.1215","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025718","8.3127","0.0003","11.2189","0.0004","15.1578","0.0006","75.681","0.001","78.909","0.001","84.941","0.001","1342.88","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 Cl N2 O3 -","- C32 H27 Cl N2 O3 -","- C64 H54 Cl2 N4 O6 -","2","1","","Huan-Rui Pan; Yong-Jia Li; Cai-Xia Yan; Juan Xing; Ying Cheng","Multicomponent Reaction of Imidazo[1,5-a]pyridine Carbenes with Aldehydes and Dimethyl Acetylenedicarboxylate or Allenoates: A Straightforward Approach to Fully Substituted Furans","Journal of Organic Chemistry","2010","75","","6644","6652","10.1021/jo1014933","","","0.71073","MoKα","","0.0568","0.0464","","","0.124","0.1328","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025719","13.583","0.002","7.7892","0.0013","31.307","0.005","90","","96.563","0.002","90","","3290.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N2 O2 -","- C42 H34 N2 O2 -","- C168 H136 N8 O8 -","4","1","","Marwan W. Ghosn; Christian Wolf","Stereocontrolled Photodimerization with Congested 1,8-Bis(4'-anilino)naphthalene Templates","Journal of Organic Chemistry","2010","75","","6653","6659","10.1021/jo101547w","","","0.71073","MoKα","","0.0957","0.0554","","","0.1163","0.1289","","","","","","0.993","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025720","9.5279","0.0015","10.4512","0.0016","12.1116","0.0019","100.867","0.003","110.309","0.003","98.418","0.003","1081","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C58 H44 N4 O4 -","2","1","","Marwan W. Ghosn; Christian Wolf","Stereocontrolled Photodimerization with Congested 1,8-Bis(4'-anilino)naphthalene Templates","Journal of Organic Chemistry","2010","75","","6653","6659","10.1021/jo101547w","","","0.71073","MoKα","","0.1167","0.0599","","","0.1107","0.1221","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025721","8.7128","0.0013","7.4839","0.0011","9.3223","0.0013","90","","96.339","0.002","90","","604.15","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","08053a","","","- C8 H13 I2 N O -","- C8 H13 I2 N O -","- C16 H26 I4 N2 O2 -","2","1","","Micah J. Niphakis; Brandon J. Turunen; Gunda I. Georg","Synthesis of 6- and 7-Membered Cyclic Enaminones: Scope and Mechanism","Journal of Organic Chemistry","2010","75","","6793","6805","10.1021/jo100907u","","","0.71073","MoKα","","0.0203","0.0192","","","0.0479","0.0483","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025722","8.7678","0.0018","13.201","0.003","14.773","0.003","73.87","0.03","84.78","0.03","71.32","0.03","1556","0.7","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Br N O9 S -","- C33 H30 Br N O9 S -","- C66 H60 Br2 N2 O18 S2 -","2","1","","Avedis Karadeolian; Michael A. Kerr","Total Synthesis of (+)-Isatisine A","Journal of Organic Chemistry","2010","75","","6830","6841","10.1021/jo101209y","","","0.71073","MoKα","","0.1067","0.0788","","","0.1893","0.2035","","","","","","1.122","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025723","7.7127","0.0015","9.0249","0.0018","23.602","0.005","98.62","0.03","93.36","0.03","98.99","0.03","1598.7","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N O5 Si -","- C36 H42 N O5 Si -","- C72 H84 N2 O10 Si2 -","2","1","","Avedis Karadeolian; Michael A. Kerr","Total Synthesis of (+)-Isatisine A","Journal of Organic Chemistry","2010","75","","6830","6841","10.1021/jo101209y","","","0.71073","MoKα","","0.0872","0.0536","","","0.1512","0.1847","","","","","","1.079","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025724","10.01","0.006","11.528","0.003","11.304","0.003","90","","102.9","0.04","90","","1271.5","0.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H23 B N2 -","- C11 H23 B N2 -","- C44 H92 B4 N8 -","4","0.5","","Malika Makhlouf Brahmi; Julien Monot; Marine Desage-El Murr; Dennis P. Curran; Louis Fensterbank; Emmanuel Lacôte; Max Malacria","Preparation of NHC Borane Complexes by Lewis Base Exchange with Amine- and Phosphine-Boranes","Journal of Organic Chemistry","2010","75","","6983","6985","10.1021/jo101301d","","","0.71073","MoKα","","0.137","0.0627","","","0.1657","0.1975","","","","","","1.024","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025725","6.8199","0.0014","17.902","0.004","20.555","0.004","90","","90","","90","","2509.6","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N O5 -","- C29 H24 Cl N O5 -","- C116 H96 Cl4 N4 O20 -","4","1","","Hui Lv; Xiang-Yu Chen; Li-hui Sun; Song Ye","Enantioselective Synthesis of Indole-Fused Dihydropyranones via Catalytic Cycloaddition of Ketenes and 3-Alkylenyloxindoles","Journal of Organic Chemistry","2010","75","","6973","6976","10.1021/jo101318u","","","1.54186","CuKα","","0.1248","0.0976","","","0.138","0.1492","","","","","","1.252","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025726","7.0429","0.0006","17.4903","0.0016","12.7831","0.0011","90","","96.697","0.002","90","","1563.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","2","","Charles D. Swor; Lev N. Zakharov; David R. Tyler","A Colorimetric Proton Sponge","Journal of Organic Chemistry","2010","75","","6977","6979","10.1021/jo101381r","","","0.71073","MoKα","","0.0608","0.0446","","","0.0747","0.0811","","","","","","1.059","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025727","5.9154","0.0001","20.1928","0.0003","26.1972","0.0004","90","","90","","90","","3129.22","0.09","150","2","150","2","","","","","","","synthesized by the authors","3","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Cl2 -","- C22 H12 Cl2 -","- C176 H96 Cl16 -","8","1","","Olivier Songis; Jiří Míšek; Markus B. Schmid; Adrian Kollárovič; Irena G. Stará; David Šaman; Ivana Císařová; Ivo Starý","A Versatile Synthesis of Functionalized Pentahelicenes","Journal of Organic Chemistry","2010","75","","6889","6899","10.1021/jo1013977","","","0.71073","MoKα","","0.0481","0.035","","","0.0907","0.0993","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025728","20.2803","0.0008","9.1154","0.0003","12.4619","0.0005","90","","107.369","0.0018","90","","2198.69","0.14","150","2","150","2","","","","","","","synthesized by the authors","2","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 -","- C34 H22 -","- C136 H88 -","4","0.5","","Olivier Songis; Jiří Míšek; Markus B. Schmid; Adrian Kollárovič; Irena G. Stará; David Šaman; Ivana Císařová; Ivo Starý","A Versatile Synthesis of Functionalized Pentahelicenes","Journal of Organic Chemistry","2010","75","","6889","6899","10.1021/jo1013977","","","0.71073","MoKα","","0.0511","0.0397","","","0.105","0.1121","","","","","","1.053","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025729","9.10987","0.00019","11.5457","0.0003","13.0695","0.0003","74.323","0.0014","79.684","0.0014","66.175","0.0012","1206.9","0.05","93","","","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 N2 -","- C32 H30 N2 -","- C64 H60 N4 -","2","1","","Akio Saito; Jun Kasai; Tomoyo Konishi; Yuji Hanzawa","Tandem Synthesis of 2,3-Dihydro-4-iminoquinolines via Three-Component Alkyne-Imine Metathesis","Journal of Organic Chemistry","2010","75","","6980","6982","10.1021/jo1013993","","","1.54187","CuKα","","","0.0352","","","","0.1058","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025730","9.5092","0.0003","12.9612","0.0004","19.9169","0.0006","90","","90.0511","0.0018","90","","2454.77","0.13","93","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 -","- C32 H32 N2 -","- C128 H128 N8 -","4","1","","Akio Saito; Jun Kasai; Tomoyo Konishi; Yuji Hanzawa","Tandem Synthesis of 2,3-Dihydro-4-iminoquinolines via Three-Component Alkyne-Imine Metathesis","Journal of Organic Chemistry","2010","75","","6980","6982","10.1021/jo1013993","","","1.54187","CuKα","","","0.0558","","","","0.1312","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025731","9.137","0.005","9.805","0.005","11.58","0.006","89.004","0.007","89.676","0.007","74.236","0.007","998.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 F3 N2 O3 -","- C21 H17 F3 N2 O3 -","- C42 H34 F6 N4 O6 -","2","1","","Hua Wang; Renhua Fan","Stereoselective Synthesis of 2-Carbamoyl-2-cyanocyclopropanecarboxylates by Tandem Oxidative Cyclization and Neighboring Group-Assisted Decarboxylation","Journal of Organic Chemistry","2010","75","","6994","6997","10.1021/jo1014245","","","0.71073","MoKα","","0.1973","0.15","","","0.4211","0.4925","","","","","","1.709","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025732","5.7278","0.0017","7.53","0.002","13.217","0.004","90","","99.059","0.005","90","","562.9","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Dengfu Lu; Yajun Li; Yuefa Gong","Organocatalytic Asymmetric Tandem Michael Addition-Hemiacetalization: A Route to Chiral Dihydrocoumarins, Chromanes, and 4H-Chromenes","Journal of Organic Chemistry","2010","75","","6900","6907","10.1021/jo101446d","","","0.71073","MoKα","","0.0488","0.0474","","","0.1229","0.1248","","","","","","1.074","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4025733","6.6667","0.0002","11.1767","0.0003","15.5388","0.0004","78.951","0.001","79.354","0.001","73.025","0.001","1076.57","0.05","100","1","100","1","","","","","","","","5","P 1","P 1","1","","","","- C18 H33 N3 O4 Si -","- C18 H33 N3 O4 Si -","- C36 H66 N6 O8 Si2 -","2","2","","Ji S. Ko; Ji E. Keum; Soo Y. Ko","A Synthesis of Oseltamivir (Tamiflu) Starting fromd-Mannitol","Journal of Organic Chemistry","2010","75","","7006","7009","10.1021/jo101517g","","","0.71073","MoKα","","0.0596","0.0484","","","0.1235","0.1327","","","","","","1.062","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025734","10.029","0.003","10.126","0.004","10.939","0.004","66.801","0.004","74.011","0.004","68.931","0.004","941.1","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","3-(4-Methoxyphenyl)dibenzo[a,k]phenanthridin-4(3H)-one ?","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C56 H38 N2 O4 -","2","1","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKa","","0.1153","0.057","","","0.1185","0.1447","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025735","8.586","0.01","9.973","0.011","15.708","0.018","90","","94.283","0.015","90","","1341","3","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-((S)-1-Phenylethyl) 2-(tert-butoxycarbonylamino)-1,1'-binaphthyl -2'-carboxylate","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C68 H62 N2 O8 -","2","1","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKα","","0.0815","0.0475","","","0.1008","0.1244","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025736","9.5527","0.0014","10.1375","0.0015","14.453","0.002","103.724","0.002","97.607","0.002","112.59","0.001","1215.8","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","(dl)-2'-(tert-Butoxycarbonylamino)-1,1'-binaphthyl-2-carboxylic acid ?","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C52 H46 N2 O8 -","2","1","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKα","","0.0638","0.0462","","","0.1295","0.1402","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025737","19.296","0.001","11.2886","0.0006","26.8332","0.0015","90","","90","","90","","5844.9","0.5","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(dl)-tert-Butyl 2'-(hydroxydiphenylmethyl)-1,1'-binaphthyl-2-ylcarbamate","","- C38 H33 N O3 -","- C38 H33 N O3 -","- C304 H264 N8 O24 -","8","2","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKα","","0.0592","0.0414","","","0.0896","0.099","","","","","","1.039","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025738","10.2718","0.001","9.1068","0.0009","12.8312","0.0013","90","","110.61","0.001","90","","1123.45","0.19","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-4,4-Diphenyl-3,4-dihydrodibenzo[a,k]phenanthridine ?","","- C33 H23 N -","- C33 H23 N -","- C66 H46 N2 -","2","1","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKα","","0.0464","0.0382","","","0.0873","0.0923","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025739","15.481","0.002","6.5941","0.0008","12.4508","0.0016","90","","90.049","0.002","90","","1271","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O -","- C16 H24 O -","- C64 H96 O4 -","4","1","","Michael E. Jung; Ting-Hu Zhang; Rebecca M. Lui; Osvaldo Gutierrez; K. N. Houk","Synthesis of atrans,syn,trans-Dodecahydrophenanthrene via a Bicyclic Transannular Diels-Alder Reaction: Intermediate for the Synthesis of Fusidic Acid","Journal of Organic Chemistry","2010","75","","6933","6940","10.1021/jo101533h","","","0.71073","MoKα","","0.0568","0.0408","","","0.0986","0.1079","","","","","","1.028","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025740","7.793","0.002","13.87","0.003","16.681","0.005","90","","90","","90","","1803","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Daniel J. Kerr; Jonathan M. White; Bernard L. Flynn","A Reductive-Coupling plus Nazarov Cyclization Sequence in the Asymmetric Synthesis of Five-Membered Carbocycles","Journal of Organic Chemistry","2010","75","","7073","7084","10.1021/jo100736p","","","1.5418","CuKα","","0.0548","0.0467","","","0.116","0.1238","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025741","9.483","0.002","22.611","0.005","10.386","0.002","90","","114.551","0.004","90","","2025.6","0.7","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O5 -","- C24 H19 N O5 -","- C96 H76 N4 O20 -","4","2","","Daniel J. Kerr; Jonathan M. White; Bernard L. Flynn","A Reductive-Coupling plus Nazarov Cyclization Sequence in the Asymmetric Synthesis of Five-Membered Carbocycles","Journal of Organic Chemistry","2010","75","","7073","7084","10.1021/jo100736p","","","0.71073","MoKα","","0.0571","0.0515","","","0.1247","0.1281","","","","","","1.237","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025742","8.9909","0.0002","9.072","0.0002","11.1381","0.0003","90","","99.743","0.003","90","","895.38","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 Cl O5 -","- C19 H23 Cl O5 -","- C38 H46 Cl2 O10 -","2","1","","Carmela Napolitano; Patrick McArdle; Paul V. Murphy","Access to Resorcylic Acid Lactonesvia Phosphonate Based Intramolecular Olefination","Journal of Organic Chemistry","2010","75","","7404","7407","10.1021/jo100998b","","","0.7107","MoKα","","0.0279","0.0239","","","0.0521","0.0527","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025743","12.976","0.003","17.547","0.004","7.4994","0.0015","90","","101.304","0.003","90","","1674.4","0.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 N O2 -","- C18 H15 Cl2 N O2 -","- C72 H60 Cl8 N4 O8 -","4","1","","Ram N. Ram; Neeraj Kumar; Nem Singh","Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones","Journal of Organic Chemistry","2010","75","","7408","7411","10.1021/jo101045z","","","0.71073","MoKα","","0.0845","0.0763","","","0.159","0.1632","","","","","","1.315","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025744","11.4549","0.0011","16.0115","0.0016","11.6598","0.0012","90","","104.85","0.002","90","","2067.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 N O2 -","- C24 H19 Cl2 N O2 -","- C96 H76 Cl8 N4 O8 -","4","1","","Ram N. Ram; Neeraj Kumar; Nem Singh","Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones","Journal of Organic Chemistry","2010","75","","7408","7411","10.1021/jo101045z","","","0.71073","MoKα","","0.0402","0.0369","","","0.0922","0.0945","","","","","","1.048","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025745","17.803","0.006","9.984","0.003","25.3","0.009","90","","103.671","0.006","90","","4370","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Cl2 N O2 -","- C25 H21 Cl2 N O2 -","- C200 H168 Cl16 N8 O16 -","8","1","","Ram N. Ram; Neeraj Kumar; Nem Singh","Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones","Journal of Organic Chemistry","2010","75","","7408","7411","10.1021/jo101045z","","","0.71073","MoKα","","0.1444","0.0978","","","0.1573","0.1726","","","","","","1.241","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025746","27.27","0.004","7.7951","0.0012","18.08","0.003","90","","115.837","0.002","90","","3459.1","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Cl2 N O2 -","- C19 H15 Cl2 N O2 -","- C152 H120 Cl16 N8 O16 -","8","1","","Ram N. Ram; Neeraj Kumar; Nem Singh","Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones","Journal of Organic Chemistry","2010","75","","7408","7411","10.1021/jo101045z","","","0.71073","MoKα","","0.0592","0.052","","","0.1282","0.1329","","","","","","1.136","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025747","11.291","0.005","15.222","0.007","21.328","0.01","90","","96.717","0.009","90","","3641","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl2 N O2 -","- C20 H19 Cl2 N O2 -","- C160 H152 Cl16 N8 O16 -","8","2","","Ram N. Ram; Neeraj Kumar; Nem Singh","Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones","Journal of Organic Chemistry","2010","75","","7408","7411","10.1021/jo101045z","","","0.71073","MoKα","","0.1319","0.1008","","","0.1694","0.1772","","","","","","1.615","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025748","8.3725","0.0003","13.1128","0.0003","11.2624","0.0003","90","0","90.6624","0.002","90","0","1236.38","0.06","293.15","","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O -","- C12 H14 Br N O -","- C48 H56 Br4 N4 O4 -","4","2","","Yakup Güneş; M. Fatih Polat; Ertan Sahin; Fraser F. Fleming; Ramazan Altundas","Enantioselective Synthesis of Cyclic, Quaternary Oxonitriles","Journal of Organic Chemistry","2010","75","","7092","7098","10.1021/jo1011202","","x-ray","0.71073","MoKα","","0.1514","0.0636","","","0.1144","0.1448","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025749","10.6573","0.0002","9.6225","0.0002","11.3219","0.0002","90","","117.807","0.001","90","","1026.98","0.04","293","","293","","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C36 H52 N4 O20 -","4","1","","José G. Hernández; Eusebio Juaristi","Green Synthesis of α,β- and β,β-Dipeptides under Solvent-Free Conditions","Journal of Organic Chemistry","2010","75","","7107","7111","10.1021/jo101159a","","x-ray","0.71073","MoKα","","0.05","0.0398","","0.0637","0.0543","0.0501","","","","","","1.0615","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025750","6.703","0.001","12.3865","0.0017","9.1015","0.0013","90","","97.759","0.007","90","","748.75","0.19","298","","293","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C30 H34 N2 O10 -","2","1","","José G. Hernández; Eusebio Juaristi","Green Synthesis of α,β- and β,β-Dipeptides under Solvent-Free Conditions","Journal of Organic Chemistry","2010","75","","7107","7111","10.1021/jo101159a","","x-ray","0.71073","MoKα","","0.1273","0.0587","","0.2625","0.2005","0.1496","","","","","","1.0376","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025751","12.7933","0.0005","7.6796","0.0003","17.9035","0.0007","90","","110.324","0.002","90","","1649.47","0.11","173","1","173","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","1,3-bis[bis[diisopropylamino)phosphino]-1H-imidazol-2-ylidene","","- C27 H58 N6 P2 -","- C27 H58 N6 P2 -","- C54 H116 N12 P4 -","2","0.5","","Anatolii P. Marchenko; Heorgii N. Koidan; Anastasiya N. Huryeva; Evgeniy V. Zarudnitskii; Aleksandr A. Yurchenko; Aleksandr N. Kostyuk","N-Phosphorylated Imidazolium Salts as Precursors to 2- and 5-Phosphorylated Imidazoles and New Imidazol-2-ylidenes Featuring the PNCN Unit","Journal of Organic Chemistry","2010","75","","7141","7145","10.1021/jo101177h","","","0.71073","MoKα","","0.0704","0.045","","","0.0933","0.1042","","","","","","1.033","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025752","13.124","0.002","13.287","0.002","9.674","0.0016","90","","100.907","0.002","90","","1656.5","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Michael E. Jung; Rebecca M. Lui","Studies toward the Total Syntheses of Cucurbitacins B and D","Journal of Organic Chemistry","2010","75","","7146","7158","10.1021/jo101242e","","","0.71073","MoKα","","0.067","0.048","","","0.1272","0.1399","","","","","","1.057","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025753","7.334","0.006","10.834","0.008","12.736","0.01","67.154","0.007","86.631","0.008","73.542","0.008","892.9","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C42 H64 O6 -","2","1","","Michael E. Jung; Rebecca M. Lui","Studies toward the Total Syntheses of Cucurbitacins B and D","Journal of Organic Chemistry","2010","75","","7146","7158","10.1021/jo101242e","","","0.71073","MoKα","","0.0632","0.0499","","","0.1237","0.1305","","","","","","1.071","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025754","7.8705","0.001","9.0108","0.0011","12.0281","0.0015","72.039","0.001","83.456","0.001","85.664","0.0012","805.43","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Michael E. Jung; Rebecca M. Lui","Studies toward the Total Syntheses of Cucurbitacins B and D","Journal of Organic Chemistry","2010","75","","7146","7158","10.1021/jo101242e","","","0.71073","MoKα","","0.0482","0.0407","","","0.1026","0.1088","","","","","","1.03","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025755","13.449","0.002","14.006","0.003","14.786","0.005","98.395","0.003","102.435","0.003","117.966","0.002","2301.7","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C104 H136 O24 -","4","2","","Michael E. Jung; Rebecca M. Lui","Studies toward the Total Syntheses of Cucurbitacins B and D","Journal of Organic Chemistry","2010","75","","7146","7158","10.1021/jo101242e","","","0.71073","MoKα","","0.1577","0.0827","","","0.1968","0.2342","","","","","","1.129","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025756","11.1254","0.001","6.3299","0.0007","23.59","0.002","90","","103.19","0.007","90","","1617.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Michael E. Jung; Rebecca M. Lui","Studies toward the Total Syntheses of Cucurbitacins B and D","Journal of Organic Chemistry","2010","75","","7146","7158","10.1021/jo101242e","","","1.54178","CuKα","","0.1508","0.0649","","","0.1174","0.1391","","","","","","0.832","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025757","26.762","0.004","9.2216","0.0013","24.454","0.003","90","","106.282","0.002","90","","5792.9","1.4","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H50 N4 O5 P2 -","- C23 H50 N4 O5 P2 -","- C184 H400 N32 O40 P16 -","8","1","","Venkat Reddy Chintareddy; Arkady Ellern; John G. Verkade","P[N(i-Bu)CH2CH2]3N: Nonionic Lewis Base for Promoting the Room-Temperature Synthesis of α,β-Unsaturated Esters, Fluorides, Ketones, and Nitriles Using Wadsworth-Emmons Phosphonates","Journal of Organic Chemistry","2010","75","","7166","7174","10.1021/jo1012515","","","0.71073","MoKα","","0.0776","0.0552","","","0.1305","0.1439","","","","","","1.07","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025758","9.78","0.004","14.434","0.004","21.796","0.007","72.708","0.011","86.307","0.012","87.862","0.013","2931.1","1.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H38 N4 O4 -","- C52 H38 N4 O4 -","- C104 H76 N8 O8 -","2","1","","Jing Cao; Xiao-Zhang Zhu; Chuan-Feng Chen","Synthesis, Structure, and Binding Property of Pentiptycene-Based Rigid Tweezer-like Molecules","Journal of Organic Chemistry","2010","75","","7420","7423","10.1021/jo101313w","","","0.71073","MoKα","","0.1166","0.0891","","","0.2424","0.2634","","","","","","1.031","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025759","14.8492","0.0003","5.8247","0.0001","16.4716","0.0003","90","","97.916","0.002","90","","1411.09","0.05","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Maialen Aginagalde; Tamara Bello; Carme Masdeu; Yosu Vara; Ana Arrieta; Fernando P. Cossío","Formation of γ-Oxoacids and 1H-Pyrrol-2(5H)-ones from α,β-Unsaturated Ketones and Ethyl Nitroacetate","Journal of Organic Chemistry","2010","75","","7435","7438","10.1021/jo101388x","","x-ray","0.71073","MoKα","","0.0545","0.0462","","","0.1186","0.1217","","","","","","1.045","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025760","5.5473","0.0002","18.097","0.0009","18.1136","0.001","90","","90","","90","","1818.42","0.15","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Maialen Aginagalde; Tamara Bello; Carme Masdeu; Yosu Vara; Ana Arrieta; Fernando P. Cossío","Formation of γ-Oxoacids and 1H-Pyrrol-2(5H)-ones from α,β-Unsaturated Ketones and Ethyl Nitroacetate","Journal of Organic Chemistry","2010","75","","7435","7438","10.1021/jo101388x","","x-ray","0.71073","MoKα","","0.0517","0.0317","","","0.0469","0.049","","","","","","0.76","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025761","13.5051","0.0004","13.3289","0.0004","13.1464","0.0004","90","","113.55","0.001","90","","2169.36","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 N5 -","- C26 H15 N5 -","- C104 H60 N20 -","4","1","","Xianglin Tang; Weimin Liu; Jiasheng Wu; Chun-Sing Lee; Juanjuan You; Pengfei Wang","Synthesis, Crystal Structures, and Photophysical Properties of Triphenylamine-Based Multicyano Derivatives","Journal of Organic Chemistry","2010","75","","7273","7278","10.1021/jo101456v","","","0.71073","MoKα","","0.0944","0.068","","","0.1322","0.1422","","","","","","1.238","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025762","13.556","0.003","8.2956","0.0017","19.778","0.004","90","","100.12","0.03","90","","2189.5","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H14 N6 -","- C27 H14 N6 -","- C108 H56 N24 -","4","1","","Xianglin Tang; Weimin Liu; Jiasheng Wu; Chun-Sing Lee; Juanjuan You; Pengfei Wang","Synthesis, Crystal Structures, and Photophysical Properties of Triphenylamine-Based Multicyano Derivatives","Journal of Organic Chemistry","2010","75","","7273","7278","10.1021/jo101456v","","","0.71073","MoKα","","0.0618","0.0534","","","0.1108","0.115","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025763","10.19","0.002","10.426","0.002","27.174","0.005","99.24","0.03","91.06","0.03","116.77","0.03","2530.6","1.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H19 N5 -","- C32 H19 N5 -","- C128 H76 N20 -","4","2","","Xianglin Tang; Weimin Liu; Jiasheng Wu; Chun-Sing Lee; Juanjuan You; Pengfei Wang","Synthesis, Crystal Structures, and Photophysical Properties of Triphenylamine-Based Multicyano Derivatives","Journal of Organic Chemistry","2010","75","","7273","7278","10.1021/jo101456v","","","0.71073","MoKα","","0.1034","0.0884","","","0.1826","0.1911","","","","","","1.171","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025764","11.3635","0.0007","18.3224","0.0011","10.5427","0.0006","90","","106.89","0.004","90","","2100.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br N2 O2 -","- C22 H24 Br N2 O2 -","- C88 H96 Br4 N8 O8 -","4","1","","Yuhua Long; Dingqiao Yang; Zhenming Zhang; Yujuan Wu; Heping Zeng; Yu Chen","Iridium-Catalyzed Asymmetric Ring Opening of Azabicyclic Alkenes by Amines","Journal of Organic Chemistry","2010","75","","7291","7299","10.1021/jo101470r","","","0.71073","MoKα","","0.1599","0.0586","","","0.1262","0.1664","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025765","7.9524","0.0002","8.2007","0.0002","9.4468","0.0002","108.738","0.001","107.45","0.002","94.121","0.002","546.84","0.02","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","Methyl 3,3-Dimethyl-9-oxo-2,4-dioxabicyclo[3.3.1]nonane-7α-carboxylate","","- C11 H16 O5 -","- C11 H16 O5 -","- C22 H32 O10 -","2","1","","Tyrone C. Casey; Julie Carlisle; Patrizia Tisselli; Louise Male; Neil Spencer; Richard S. Grainger","Stereoselective α,α'-Annelation Reactions of 1,3-Dioxan-5-ones","Journal of Organic Chemistry","2010","75","","7461","7464","10.1021/jo101531b","","","0.71073","MoKα","","0.0462","0.0385","","","0.0871","0.0933","","","","","","1.063","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025766","13.3302","0.0001","6.0018","0.0001","16.818","0.0001","90","","101.744","0.001","90","","1317.36","0.03","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 9-Oxo-3α-phenyl-2,4-dioxabicyclo[3.3.1]nonane-7α-carboxylate","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","","Tyrone C. Casey; Julie Carlisle; Patrizia Tisselli; Louise Male; Neil Spencer; Richard S. Grainger","Stereoselective α,α'-Annelation Reactions of 1,3-Dioxan-5-ones","Journal of Organic Chemistry","2010","75","","7461","7464","10.1021/jo101531b","","","1.54178","CuKα","","0.0318","0.0313","","","0.0781","0.0786","","","","","","1.054","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025767","6.0448","0.0002","8.1728","0.0003","22.5871","0.0008","90","","91.388","0.001","90","","1115.54","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","JC2-019","Methyl 3,3-Dimethyl-9-oxo-2,4-dioxabicyclo[3.3.1]nonane-7β-carboxylate","","- C11 H16 O5 -","- C11 H16 O5 -","- C44 H64 O20 -","4","1","","Tyrone C. Casey; Julie Carlisle; Patrizia Tisselli; Louise Male; Neil Spencer; Richard S. Grainger","Stereoselective α,α'-Annelation Reactions of 1,3-Dioxan-5-ones","Journal of Organic Chemistry","2010","75","","7461","7464","10.1021/jo101531b","","","0.71073","MoKα","","0.0521","0.0397","","","0.1083","0.1161","","","","","","1.026","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025768","5.9584","0.0003","11.0045","0.0004","39.4196","0.0018","90","","91.223","0.001","90","","2584.1","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 9-Oxo-3α-phenyl-2,4-dioxabicyclo[3.3.1]nonane-7β-carboxylate","","- C15 H16 O5 -","- C15 H16 O5 -","- C120 H128 O40 -","8","2","","Tyrone C. Casey; Julie Carlisle; Patrizia Tisselli; Louise Male; Neil Spencer; Richard S. Grainger","Stereoselective α,α'-Annelation Reactions of 1,3-Dioxan-5-ones","Journal of Organic Chemistry","2010","75","","7461","7464","10.1021/jo101531b","","","0.71073","MoKα","","0.1214","0.0814","","","0.1392","0.1591","","","","","","1.137","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025769","5.9826","0.0001","10.3401","0.0002","18.4246","0.0004","90","","96.097","0.002","90","","1133.31","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 3β-Methoxy-3α-methyl-9-oxo-2,4-dioxabicyclo[3.3.1]nonane- 7β-carboxylate","","- C11 H16 O6 -","- C11 H16 O6 -","- C44 H64 O24 -","4","1","","Tyrone C. Casey; Julie Carlisle; Patrizia Tisselli; Louise Male; Neil Spencer; Richard S. Grainger","Stereoselective α,α'-Annelation Reactions of 1,3-Dioxan-5-ones","Journal of Organic Chemistry","2010","75","","7461","7464","10.1021/jo101531b","","","0.71073","MoKα","","0.0528","0.0427","","","0.1093","0.116","","","","","","1.105","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025770","9.5174","0.0009","23.507","0.002","18.6244","0.0016","90","","99.913","0.002","90","","4104.5","0.6","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O -","- C28 H21 N O -","- C224 H168 N8 O8 -","8","2","","Guoyong Song; Dan Chen; Cheng-Ling Pan; Robert H. Crabtree; Xingwei Li","Rh-Catalyzed Oxidative Coupling between Primary and Secondary Benzamides and Alkynes: Synthesis of Polycyclic Amides","Journal of Organic Chemistry","2010","75","","7487","7490","10.1021/jo101596d","","","0.71073","MoKα","","0.1416","0.0628","","","0.1519","0.2034","","","","","","0.951","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4025771","10.1836","0.0011","15.7932","0.0017","12.2948","0.0013","90","","112.466","0.002","90","","1827.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","1","","Guoyong Song; Dan Chen; Cheng-Ling Pan; Robert H. Crabtree; Xingwei Li","Rh-Catalyzed Oxidative Coupling between Primary and Secondary Benzamides and Alkynes: Synthesis of Polycyclic Amides","Journal of Organic Chemistry","2010","75","","7487","7490","10.1021/jo101596d","","","0.71073","MoKα","","0.0852","0.0651","","","0.1823","0.1956","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025772","17.42","0.003","11.314","0.002","12.965","0.002","90","","107.127","0.003","90","","2442","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H23 N O -","- C35 H23 N O -","- C140 H92 N4 O4 -","4","1","","Guoyong Song; Dan Chen; Cheng-Ling Pan; Robert H. Crabtree; Xingwei Li","Rh-Catalyzed Oxidative Coupling between Primary and Secondary Benzamides and Alkynes: Synthesis of Polycyclic Amides","Journal of Organic Chemistry","2010","75","","7487","7490","10.1021/jo101596d","","","0.71073","MoKα","","0.0764","0.0414","","","0.0877","0.107","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025773","7.9184","0.0001","18.5725","0.0002","20.6359","0.0003","90","","90","","90","","3034.81","0.07","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2S,3S,alphaS-tert-butyl-3-(benzyl(1-phenylethyl)amino)- 5-(tert-butyldimethylsilyloxy)-2-fluoropentanoate","","- C30 H46 F N O3 Si -","- C30 H46 F N O3 Si -","- C120 H184 F4 N4 O12 Si4 -","4","1","","Peter J. Duggan; Martin Johnston; Taryn L. March","Enantioselective Synthesis of α-Fluoro-β3-amino Esters: Synthesis of Enantiopure, Orthogonally Protected α-Fluoro-β3-lysine","Journal of Organic Chemistry","2010","75","","7365","7372","10.1021/jo101600c","","","1.54184","CuKα","","0.0344","0.0326","","","0.0843","0.0868","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025774","11.2986","0.0003","14.5663","0.0004","15.2241","0.0004","100.376","0.002","91.986","0.001","99.81","0.002","2423.03","0.11","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H29 N O4 S -","- C27 H29 N O4 S -","- C108 H116 N4 O16 S4 -","4","4","","Maria-Eleni Ragoussi; Stephen M. Walker; Andrea Piccanello; Benson M. Kariuki; Peter N. Horton; Neil Spencer; John S. Snaith","Stereoselective Synthesis of 2,4,5-Trisubstituted Piperidines via Radical Cyclization","Journal of Organic Chemistry","2010","75","","7347","7357","10.1021/jo101631y","","","0.71073","MoKα","","0.0904","0.05","","","0.1009","0.1158","","","","","","1.025","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025775","10.751","0.004","11.432","0.004","11.761","0.006","66.224","0.017","81.948","0.019","80.06","0.04","1299","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H39 N O4 S Si -","- C24 H39 N O4 S Si -","- C48 H78 N2 O8 S2 Si2 -","2","1","","Maria-Eleni Ragoussi; Stephen M. Walker; Andrea Piccanello; Benson M. Kariuki; Peter N. Horton; Neil Spencer; John S. Snaith","Stereoselective Synthesis of 2,4,5-Trisubstituted Piperidines via Radical Cyclization","Journal of Organic Chemistry","2010","75","","7347","7357","10.1021/jo101631y","","","1.54178","CuKα","","0.068","0.0569","","","0.1546","0.1655","","","","","","1.041","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025776","11.304","0.005","7.763","0.004","13.644","0.006","90","","99.568","0.005","90","","1180.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0639","0.0489","","","0.1223","0.171","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025777","7.801","0.005","12.547","0.006","25.089","0.003","90","","90","","90","","2456","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O7 S -","- C27 H26 N2 O7 S -","- C108 H104 N8 O28 S4 -","4","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0824","0.0529","","","0.1222","0.1759","","","","","","1.157","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025778","9.738","0.005","29.292","0.004","8.035","0.006","90","","98.037","0.005","90","","2269","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O6 S -","- C25 H25 N O6 S -","- C100 H100 N4 O24 S4 -","4","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.1192","0.0664","","","0.1527","0.1927","","","","","","1.039","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025779","8.179","0.005","9.871","0.004","15.334","0.006","100.443","0.005","98.737","0.004","94.167","0.006","1196.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 N O5 S -","- C26 H31 N O5 S -","- C52 H62 N2 O10 S2 -","2","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0944","0.0694","","","0.1689","0.1966","","","","","","1.042","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025780","10.781","0.005","7.655","0.006","15.097","0.004","90","","104.28","0.005","90","","1207.4","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 Cl N O4 S -","- C27 H26 Cl N O4 S -","- C54 H52 Cl2 N2 O8 S2 -","2","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0778","0.0563","","","0.1251","0.1641","","","","","","1.107","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025781","15.999","0.005","7.976","0.004","20.253","0.006","90","","108.403","0.005","90","","2452.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N O5 S -","- C27 H33 N O5 S -","- C108 H132 N4 O20 S4 -","4","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0916","0.0638","","","0.164","0.1866","","","","","","1.048","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025782","12.417","0.005","20.169","0.004","9.799","0.006","90","","90","","90","","2454","1.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H33 N O5 S -","- C27 H33 N O5 S -","- C108 H132 N4 O20 S4 -","4","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0729","0.0511","","","0.1178","0.146","","","","","","1.089","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025783","6.5148","0.0001","17.4318","0.0002","15.1755","0.0002","90","","101.873","0.001","90","","1686.53","0.04","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C72 H88 O24 -","4","1","","Andrew C. Silvanus; Benjamin J. Groombridge; Benjamin I. Andrews; Gabriele Kociok-Köhn; David R. Carbery","Stereoselective Synthesis of Cyclohexanones via Phase Transfer Catalyzed Double Addition of Nucleophiles to Divinyl Ketones.","Journal of Organic Chemistry","2010","75","","7491","7493","10.1021/jo101713d","","","0.71073","MoKα","","0.0559","0.0426","","","0.1028","0.111","","","","","","1.033","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025784","14.6578","0.0006","11.0691","0.0006","10.8691","0.0004","90","","100.521","0.003","90","","1733.85","0.14","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-Bis-(2,2-dibromocyclopropyl)-4,5-divinylbenzene","","- C16 H14 Br4 -","- C16 H14 Br4 -","- C64 H56 Br16 -","4","0.5","","Kuan-Jen Su; Jean-Luc Mieusset; Vladimir B. Arion; Wolfgang Knoll; Lothar Brecker; Udo H. Brinker","Efforts toward Distorted Spiropentanes","Journal of Organic Chemistry","2010","75","","7494","7497","10.1021/jo1017298","","","0.71073","MoKα","","0.0552","0.0352","","","0.0831","0.0885","","","","","","1.038","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025785","17.1302","0.0008","11.1791","0.0005","23.5654","0.0011","90","","90","","90","","4512.8","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2,4,5-Tetrakis-(2,2-dibromocyclopropyl)-benzene","","- C18 H14 Br8 -","- C18 H14 Br8 -","- C144 H112 Br64 -","8","1","","Kuan-Jen Su; Jean-Luc Mieusset; Vladimir B. Arion; Wolfgang Knoll; Lothar Brecker; Udo H. Brinker","Efforts toward Distorted Spiropentanes","Journal of Organic Chemistry","2010","75","","7494","7497","10.1021/jo1017298","","","0.71073","MoKα","","0.0502","0.0281","","","0.0571","0.0616","","","","","","0.998","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025786","10.6247","0.0005","20.013","0.0009","12.1491","0.0004","90","","105.572","0.002","90","","2488.47","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-Tetrakis-(2,2-dibromocyclopropyl)-benzene dichloromethane solvate","","- C19 H16 Br8 Cl2 -","- C19 H16 Br8 Cl2 -","- C76 H64 Br32 Cl8 -","4","1","","Kuan-Jen Su; Jean-Luc Mieusset; Vladimir B. Arion; Wolfgang Knoll; Lothar Brecker; Udo H. Brinker","Efforts toward Distorted Spiropentanes","Journal of Organic Chemistry","2010","75","","7494","7497","10.1021/jo1017298","","","0.71073","MoKα","","0.1117","0.0553","","","0.1134","0.1334","","","","","","1.025","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025787","6.5274","0.0006","14.3878","0.0015","18.4199","0.0019","83.73","0.005","85.515","0.005","87.424","0.005","1713.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,5-Bis-(2,2'-dibromocyclopropyl)-2,4-divinylnenzene","","- C16 H14 Br4 -","- C16 H14 Br4 -","- C64 H56 Br16 -","4","2","","Kuan-Jen Su; Jean-Luc Mieusset; Vladimir B. Arion; Wolfgang Knoll; Lothar Brecker; Udo H. Brinker","Efforts toward Distorted Spiropentanes","Journal of Organic Chemistry","2010","75","","7494","7497","10.1021/jo1017298","","","0.71073","MoKα","","0.1469","0.0604","","","0.1264","0.1656","","","","","","0.963","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025788","10.03528","0.00018","10.64666","0.00019","10.7691","0.00019","101.516","0.0007","102.352","0.0007","101.818","0.0007","1063.88","0.03","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 Cl4 N4 O8 -","- C44 H46 Cl4 N4 O8 -","- C44 H46 Cl4 N4 O8 -","1","0.5","","Satoshi D. Ohmura; Toshiyuki Moriuchi; Toshikazu Hirao","Chirality Organization of Aniline Oligomers through Hydrogen Bonds of Amino Acid Moieties","Journal of Organic Chemistry","2010","75","","7909","7912","10.1021/jo100853b","","","1.54187","CuKα","","","0.0512","","","","0.2205","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025789","8.03011","0.00017","10.2142","0.0002","11.2028","0.0002","62.556","0.001","71.544","0.0012","68.941","0.0011","748.24","0.03","277.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N4 O4 -","- C36 H34 N4 O4 -","- C36 H34 N4 O4 -","1","0.5","","Satoshi D. Ohmura; Toshiyuki Moriuchi; Toshikazu Hirao","Chirality Organization of Aniline Oligomers through Hydrogen Bonds of Amino Acid Moieties","Journal of Organic Chemistry","2010","75","","7909","7912","10.1021/jo100853b","","","1.54187","CuKα","","","0.0378","","","","0.1106","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025790","13.4185","0.0005","5.6716","0.0003","13.7167","0.0006","90","","98.008","0.003","90","","1033.72","0.08","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Cl F N O3 S -","- C9 H7 Cl F N O3 S -","- C36 H28 Cl4 F4 N4 O12 S4 -","4","1","","Dale F. Shellhamer; Kevyn J. Davenport; Danielle M. Hassler; Kelli R. Hickle; Jacob J. Thorpe; David J. Vandenbroek; Victor L. Heasley; Jerry A. Boatz; Arnold L. Reingold; Curtis E. Moore","Reaction of Chlorosulfonyl Isocyanate with Fluorosubstituted Alkenes: Evidence of a Concerted Pathway","Journal of Organic Chemistry","2010","75","","7913","7916","10.1021/jo101240s","","","1.54178","CuKα","","0.0319","0.0287","","","0.0731","0.0748","","","","","","1.042","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025791","14.106","0.016","15.139","0.011","16.168","0.013","90","","90","","90","","3453","5","296.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C184 H152 N8 O16 -","8","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoK'a","","","0.0359","","","","0.0433","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025792","9.867","0.008","8.666","0.006","11.827","0.012","90","","94.43","0.04","90","","1008.3","1.5","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoK'a","","","0.0496","","","","0.0689","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025793","15.149","0.012","5.442","0.006","24.33","0.02","90","","99.7","0.03","90","","1977","3","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoK'a","","","0.0361","","","","0.0471","","","","","","0.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025794","13.709","0.018","15.467","0.016","16.491","0.019","90","","109.67","0.04","90","","3293","7","293.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 Cl N3 O6 -","- C37 H33 Cl N3 O6 -","- C148 H132 Cl4 N12 O24 -","4","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoKα","","","0.0506","","","","0.0644","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025795","15.523","0.003","7.8698","0.0014","19.165","0.004","90","","90.82","0.005","90","","2341","0.8","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O6 -","- C27 H25 N O6 -","- C108 H100 N4 O24 -","4","2","","Mathias Schelwies; Andreas Farwick; Frank Rominger; Günter Helmchen","Platinum(II) Chloride-Catalyzed Stereoselective Domino Enyne Isomerization/Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","7917","7919","10.1021/jo1014068","","","0.71073","MoKα","","0.1","0.0689","","","0.1069","0.1175","","","","","","1.115","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025796","8.887","0.0001","15.7792","0.0002","30.4344","0.0003","90","","90","","90","","4267.81","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N4 O4 -","- C23 H18 N4 O4 -","- C184 H144 N32 O32 -","8","2","","Mathias Schelwies; Andreas Farwick; Frank Rominger; Günter Helmchen","Platinum(II) Chloride-Catalyzed Stereoselective Domino Enyne Isomerization/Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","7917","7919","10.1021/jo1014068","","","0.71073","MoKα","","0.11","0.0587","","","0.1034","0.1229","","","","","","1.073","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025797","6.6102","0.0001","13.5015","0.0001","30.8313","0.0001","90","","90","","90","","2751.62","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 N2 O4 S Si -","- C27 H32 N2 O4 S Si -","- C108 H128 N8 O16 S4 Si4 -","4","1","","Mathias Schelwies; Andreas Farwick; Frank Rominger; Günter Helmchen","Platinum(II) Chloride-Catalyzed Stereoselective Domino Enyne Isomerization/Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","7917","7919","10.1021/jo1014068","","","0.71073","MoKα","","0.0637","0.0437","","","0.0887","0.0973","","","","","","1.061","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025798","8.863","0.005","9.876","0.005","20.426","0.013","90","","90","","90","","1787.9","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 F N O5 S2 -","- C14 H22 F N O5 S2 -","- C56 H88 F4 N4 O20 S8 -","4","1","","Emmanuelle Drège; Anaïs Guillaume; Nadjia Boukhedimi; Jérôme Marrot; Claire Troufflard; Marie-Elise Tran Huu-Dau; Delphine Joseph; Sandrine Delarue-Cochin","A Facile and Stereocontrolled Synthesis of γ-Substituted γ-Fluoroglutamates by Conjugate Addition: Conflicting Effect between Fluorinated Enaminoester and Hinderered Michael Acceptor","Journal of Organic Chemistry","2010","75","","7596","7604","10.1021/jo101417c","","","0.71073","MoKα","","0.0246","0.0243","","","0.0652","0.0654","","","","","","1.125","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025799","10.6747","0.0003","9.6224","0.0003","11.8546","0.0004","90","","110.4","0.002","90","","1141.29","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H30 F N O7 S2 -","- C19 H30 F N O7 S2 -","- C38 H60 F2 N2 O14 S4 -","2","1","","Emmanuelle Drège; Anaïs Guillaume; Nadjia Boukhedimi; Jérôme Marrot; Claire Troufflard; Marie-Elise Tran Huu-Dau; Delphine Joseph; Sandrine Delarue-Cochin","A Facile and Stereocontrolled Synthesis of γ-Substituted γ-Fluoroglutamates by Conjugate Addition: Conflicting Effect between Fluorinated Enaminoester and Hinderered Michael Acceptor","Journal of Organic Chemistry","2010","75","","7596","7604","10.1021/jo101417c","","","0.71073","MoKα","","0.1174","0.1021","","","0.2312","0.2498","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025800","5.8322","0.0002","8.7537","0.0003","25.9759","0.0008","90","","91.052","0.002","90","","1325.93","0.08","193","2","193","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H42 N4 O3 -","- C26 H42 N4 O3 -","- C52 H84 N8 O6 -","2","1","","Arnaud Rives; Sonia Ladeira; Thierry Levade; Nathalie Andrieu-Abadie; Yves Génisson","Synthesis of Cytotoxic Aza Analogues of Jaspine B","Journal of Organic Chemistry","2010","75","","7920","7923","10.1021/jo1014239","","x-ray","0.71073","MoKα","","0.0852","0.0516","","","0.102","0.1215","","","","","","1.029","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025801","5.5521","0.0002","9.2327","0.0003","44.9351","0.0014","90","","90","","90","","2303.41","0.13","193","2","193","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 N O -","- C25 H41 N O -","- C100 H164 N4 O4 -","4","1","","Arnaud Rives; Sonia Ladeira; Thierry Levade; Nathalie Andrieu-Abadie; Yves Génisson","Synthesis of Cytotoxic Aza Analogues of Jaspine B","Journal of Organic Chemistry","2010","75","","7920","7923","10.1021/jo1014239","","x-ray","0.71073","MoKα","","0.0669","0.0457","","","0.0922","0.1022","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025802","15.082","0.007","9.455","0.004","28.43","0.013","90","","96.237","0.01","90","","4030","3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl N2 O3 -","- C24 H21 Cl N2 O3 -","- C192 H168 Cl8 N16 O24 -","8","2","","Li-Rong Wen; Chao Liu; Ming Li; Li-Juan Wang","Modulating the Reactivity of Heterocyclic Ketene Aminals in MCR: Selective Construction of Tetrahydrobenzo[b]imidazo[3,2,1-ij][1,8]naphthyridines","Journal of Organic Chemistry","2010","75","","7605","7614","10.1021/jo101454q","","","0.71073","MoKα","","0.1628","0.0632","","","0.1323","0.1757","","","","","","0.985","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025803","6.644","0.0005","7.6383","0.0005","21.5272","0.0015","90","","90","","90","","1092.48","0.13","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","1","","Hisao Saneyoshi; Jeffrey R. Deschamps; Victor E. Marquez","Synthesis of Conformationally Locked l-Deoxythreosyl Phosphonate Nucleosides Built on a Bicyclo[3.1.0]hexane Template","Journal of Organic Chemistry","2010","75","","7659","7669","10.1021/jo101475p","","","0.71073","MoKα","","0.0354","0.0333","","","0.0879","0.0895","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025804","29.496","0.006","8.2267","0.0018","10.584","0.002","90","","108.523","0.005","90","","2435.2","0.9","144","2","144","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H15 N5 O2 -","- C11 H15 N5 O2 -","- C88 H120 N40 O16 -","8","2","","Hisao Saneyoshi; Jeffrey R. Deschamps; Victor E. Marquez","Synthesis of Conformationally Locked l-Deoxythreosyl Phosphonate Nucleosides Built on a Bicyclo[3.1.0]hexane Template","Journal of Organic Chemistry","2010","75","","7659","7669","10.1021/jo101475p","","","0.71073","MoKα","","0.0959","0.0757","","","0.2187","0.2388","","","","","","1.166","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025805","6.436","0.002","7.537","0.002","7.554","0.003","71.507","0.007","87.585","0.007","71.475","0.008","328.8","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C16 H20 O2 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71073","MoKα","","0.0522","0.0404","","","0.0982","0.1047","","","","","","1.048","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025806","6.849","0.002","8.04","0.003","8.248","0.004","70.981","0.009","67.81","0.01","68.179","0.012","381.2","0.3","233","2","233","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C18 H24 O2 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71069","MoKα","","0.0766","0.072","","","0.1707","0.1734","","","","","","1.559","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025807","7.2003","0.0004","14.232","0.0012","8.4409","0.0005","90","","102.96","0.009","90","","842.94","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","1.5418","CuKα","","0.0467","0.0444","","","0.1178","0.1205","","","","","","1.101","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025808","7.2228","0.0004","9.2274","0.0006","9.3317","0.0006","63.944","0.003","89.954","0.004","89.959","0.003","558.73","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H40 O2 -","- C26 H40 O2 -","- C26 H40 O2 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","1.54187","CuKα","","0.059","0.0463","","","0.1579","0.1898","","","","","","1.13","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025809","7.385","0.005","9.43","0.006","10.698","0.007","67.731","0.013","78.411","0.014","88.388","0.014","674.4","0.8","233","2","233","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H48 O2 -","- C30 H48 O2 -","- C30 H48 O2 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71073","MoKα","","0.1064","0.0611","","","0.1562","0.1825","","","","","","1.014","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025810","9.2006","0.0002","8.5041","0.0002","8.6679","0.0002","90","","94.442","0.001","90","","676.16","0.03","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C32 H40 O4 -","2","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71073","MoKα","","0.0447","0.0344","","","0.0872","0.0932","","","","","","1.038","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025811","5.223","0.001","7.84","0.002","11.132","0.003","103.716","0.002","94.279","0.002","93.858","0.003","439.9","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","1.5418","CuKα","","0.0437","0.0404","","","0.1229","0.1262","","","","","","1.12","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025812","4.6101","0.0011","6.59","0.0015","27.733","0.007","93.316","0.009","94.533","0.008","104.598","0.0014","810.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N2 O4 -","- C38 H54 N2 O4 -","- C38 H54 N2 O4 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71069","MoKα","","0.0643","0.0541","","","0.1534","0.1626","","","","","","1.075","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025813","41.893","0.002","6.8695","0.0003","8.4203","0.0003","90","","90.833","0.002","90","","2422.97","0.18","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 N2 O4 -","- C28 H34 N2 O4 -","- C112 H136 N8 O16 -","4","1","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71073","MoKα","","0.1232","0.0752","","","0.1224","0.1414","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025814","8.1677","0.0015","14.211","0.003","20.027","0.004","87","0.006","88.742","0.005","86.499","0.006","2316.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H70 N2 O6 -","- C52 H70 N2 O6 -","- C104 H140 N4 O12 -","2","1","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71075","MoKα","","0.2442","0.1347","","","0.2653","0.285","","","","","","1.701","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025815","9.795","0.003","8.172","0.003","10.466","0.003","90","","103.89","0.02","90","","813.3","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","","Zhengren Xu; Weimin Hu; Qiang Liu; Lihe Zhang; Yanxing Jia","Total Synthesis of Clavicipitic Acid and Aurantioclavine: Stereochemistry of Clavicipitic Acid Revisited","Journal of Organic Chemistry","2010","75","","7626","7635","10.1021/jo101506c","","","0.71073","MoKα","","0.1091","0.0591","","","0.0989","0.1145","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025816","9.829","0.003","15.776","0.003","10.514","0.002","90","","90","","90","","1630.3","0.7","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Zhengren Xu; Weimin Hu; Qiang Liu; Lihe Zhang; Yanxing Jia","Total Synthesis of Clavicipitic Acid and Aurantioclavine: Stereochemistry of Clavicipitic Acid Revisited","Journal of Organic Chemistry","2010","75","","7626","7635","10.1021/jo101506c","","","0.71073","MoKα","","0.096","0.0464","","","0.0865","0.1237","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025817","9.0258","0.0018","9.687","0.002","17.717","0.005","90","","90","","90","","1549","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Zhengren Xu; Weimin Hu; Qiang Liu; Lihe Zhang; Yanxing Jia","Total Synthesis of Clavicipitic Acid and Aurantioclavine: Stereochemistry of Clavicipitic Acid Revisited","Journal of Organic Chemistry","2010","75","","7626","7635","10.1021/jo101506c","","","0.71073","MoKα","","0.0701","0.0464","","","0.0896","0.108","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025818","7.8585","0.0014","10.2138","0.0015","10.977","0.0017","81.589","0.013","69.608","0.015","80.851","0.014","811.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 I N O2 -","- C19 H13 I N O2 -","- C38 H26 I2 N2 O4 -","2","1","","Akhilesh K. Verma; Vineeta Rustagi; Trapti Aggarwal; Amit P. Singh","Iodine-Mediated Solvent-Controlled Selective Electrophilic Cyclization and Oxidative Esterification ofo-Alkynyl Aldehydes: An Easy Access to Pyranoquinolines, Pyranoquinolinones, and Isocumarins","Journal of Organic Chemistry","2010","75","","7691","7703","10.1021/jo101526b","","","0.71073","MoKα","","0.0436","0.0354","","","0.0952","0.098","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025819","5.905","0.002","10.998","0.004","15.103","0.005","93.85","0.03","99.3","0.03","103.8","0.03","934.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 I N O2 -","- C22 H18 I N O2 -","- C44 H36 I2 N2 O4 -","2","1","","Akhilesh K. Verma; Vineeta Rustagi; Trapti Aggarwal; Amit P. Singh","Iodine-Mediated Solvent-Controlled Selective Electrophilic Cyclization and Oxidative Esterification ofo-Alkynyl Aldehydes: An Easy Access to Pyranoquinolines, Pyranoquinolinones, and Isocumarins","Journal of Organic Chemistry","2010","75","","7691","7703","10.1021/jo101526b","","","0.71073","MoKα","","0.0836","0.0673","","","0.1711","0.1806","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025820","7.9362","0.0004","12.0141","0.0006","12.061","0.0006","90","","90","","90","","1149.97","0.1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl O P -","- C10 H14 Cl O P -","- C40 H56 Cl4 O4 P4 -","4","1","","Yongbo Zhou; Gang Wang; Yuta Saga; Ruwei Shen; Midori Goto; Yufen Zhao; Li-Biao Han","Stereospecific Halogenation of P(O)-H Bonds with Copper(II) Chloride Affording Optically Active Z1Z2P(O)Cl","Journal of Organic Chemistry","2010","75","","7924","7927","10.1021/jo101540d","","","0.71073","MoKα","","0.0265","0.0251","","","0.0744","0.0765","","","","","","0.868","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025821","8.6327","0.0007","9.9878","0.0009","13.1649","0.0012","69.017","0.008","79.403","0.007","83.563","0.007","1040.43","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N3 O5 S3 -","- C18 H19 N3 O5 S3 -","- C36 H38 N6 O10 S6 -","2","1","","Ganesh Chandra Nandi; Subhasis Samai; Maya Shankar Singh","Biginelli and Hantzsch-Type Reactions Leading to Highly Functionalized Dihydropyrimidinone, Thiocoumarin, and Pyridopyrimidinone Frameworks via Ring Annulation with β-Oxodithioesters","Journal of Organic Chemistry","2010","75","","7785","7795","10.1021/jo101572c","","","0.71073","MoKα","","0.1137","0.0638","","","0.1533","0.1721","","","","","","0.897","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025822","33.02","0.007","10.502","0.002","14.458","0.002","90","","115.11","0.02","90","","4539.9","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N4 O4 S2 -","- C23 H20 N4 O4 S2 -","- C184 H160 N32 O32 S16 -","8","1","","Ganesh Chandra Nandi; Subhasis Samai; Maya Shankar Singh","Biginelli and Hantzsch-Type Reactions Leading to Highly Functionalized Dihydropyrimidinone, Thiocoumarin, and Pyridopyrimidinone Frameworks via Ring Annulation with β-Oxodithioesters","Journal of Organic Chemistry","2010","75","","7785","7795","10.1021/jo101572c","","","0.71073","MoKα","","0.0915","0.051","","","0.1392","0.1525","","","","","","0.925","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025823","9.6645","0.0004","11.3513","0.0004","12.7583","0.0005","101.402","0.0016","104.983","0.0016","90.623","0.002","1322.54","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","2","","Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Giovanna Poce; Paul M. Roberts; James E. Thomson; David M. Williamson","One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates","Journal of Organic Chemistry","2010","75","","7745","7756","10.1021/jo101614f","","","0.71073","MoKα","","0.1635","0.1331","","0.1712","0.1386","0.1344","","","","","","1.1043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025824","12.0044","0.0004","9.1663","0.0004","12.0881","0.0005","90","","92.713","0.0018","90","","1328.63","0.09","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Giovanna Poce; Paul M. Roberts; James E. Thomson; David M. Williamson","One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates","Journal of Organic Chemistry","2010","75","","7745","7756","10.1021/jo101614f","","","0.71073","MoKα","","0.0647","0.0526","","0.1412","0.1349","0.1412","","","","","","0.9854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025825","12.1182","0.0002","10.2863","0.0002","15.4746","0.0003","90","","97.3039","0.0008","90","","1913.28","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O -","- C22 H29 N O -","- C88 H116 N4 O4 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Giovanna Poce; Paul M. Roberts; James E. Thomson; David M. Williamson","One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates","Journal of Organic Chemistry","2010","75","","7745","7756","10.1021/jo101614f","","","0.71073","MoKα","","0.043","0.0365","","0.0895","0.0865","0.0895","","","","","","0.9888","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025826","8.7549","0.0002","9.838","0.0003","14.0722","0.0005","85.2408","0.0011","83.4949","0.0012","66.4693","0.0013","1103.16","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C52 H54 N2 O6 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Giovanna Poce; Paul M. Roberts; James E. Thomson; David M. Williamson","One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates","Journal of Organic Chemistry","2010","75","","7745","7756","10.1021/jo101614f","","","0.71073","MoKα","","0.0632","0.0632","","0.1","0.1","0.1","","","","","","0.9639","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025827","10.1455","0.0001","8.4732","0.0001","24.9311","0.0004","90","","97.0646","0.0006","90","","2126.93","0.05","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Giovanna Poce; Paul M. Roberts; James E. Thomson; David M. Williamson","One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates","Journal of Organic Chemistry","2010","75","","7745","7756","10.1021/jo101614f","","","0.71073","MoKα","","0.0865","0.0404","","0.0947","0.0462","0.0462","","","","","","1.1232","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025828","9.9567","0.0003","15.2992","0.0005","16.3935","0.0005","90","","90","","90","","2497.21","0.13","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Ryan A. Altman; Bradley L. Nilsson; Larry E. Overman; Javier Read de Alaniz; Jason M. Rohde; Veronique Taupin","Total Synthesis of (+)-Nankakurines A and B and (\±)-5-epi-Nankakurine A","Journal of Organic Chemistry","2010","75","","7519","7534","10.1021/jo101619d","","","0.71073","MoKα","","0.0333","0.032","","","0.0851","0.0868","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025829","12.3116","0.0003","8.753","0.0002","17.0047","0.0004","90","","92.3122","0.0003","90","","1830.99","0.07","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl N2 -","- C21 H23 Cl N2 -","- C84 H92 Cl4 N8 -","4","1","","Karel Vervisch; Matthias D'hooghe; Karl W. Törnroos; Norbert De Kimpe","Synthesis of Stereodefined Piperidines from Aziridines and Their Transformation into Conformationally Constrained Amino Acids, Amino Alcohols and 2,7-Diazabicyclo[3.3.1]nonanes","Journal of Organic Chemistry","2010","75","","7734","7744","10.1021/jo101646u","","","0.71073","MoKα","","0.0365","0.0351","","","0.0976","0.0991","","","","","","1.043","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025830","6.0592","0.0002","9.4343","0.0003","14.8724","0.0005","103.031","0.001","92.865","0.001","95.327","0.001","822.49","0.05","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 Cl N2 -","- C20 H23 Cl N2 -","- C40 H46 Cl2 N4 -","2","1","","Karel Vervisch; Matthias D'hooghe; Karl W. Törnroos; Norbert De Kimpe","Synthesis of Stereodefined Piperidines from Aziridines and Their Transformation into Conformationally Constrained Amino Acids, Amino Alcohols and 2,7-Diazabicyclo[3.3.1]nonanes","Journal of Organic Chemistry","2010","75","","7734","7744","10.1021/jo101646u","","","0.71073","MoKα","","0.0578","0.0529","","","0.1395","0.1437","","","","","","1.038","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025831","10.5194","0.0003","12.451","0.0003","13.8791","0.0005","90","","99.069","0.001","90","","1795.12","0.09","100","2","100","2","","","","","","","synthesis as described","3","I 1 a 1","I -2ya","9","","","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","1","","Antonio Leyva-Pérez; Jose R. Cabrero-Antonino; Ángel Cantín; Avelino Corma","Gold(I) Catalyzes the Intermolecular Hydroamination of Alkynes with Imines and Produces α,α',N-Triarylbisenamines: Studies on Their Use As Intermediates in Synthesis","Journal of Organic Chemistry","2010","75","","7769","7780","10.1021/jo101674t","","x-ray","0.71073","MoKα","","0.0364","0.0315","","","0.0728","0.0753","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025832","26.634","0.0005","11.4521","0.0002","15.097","0.0003","90","","104.782","0.001","90","","4452.41","0.15","100","2","100","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C14 H27 Au F6 N O4 P S2 -","- C14 H27 Au F6 N O4 P S2 -","- C112 H216 Au8 F48 N8 O32 P8 S16 -","8","1","","Antonio Leyva-Pérez; Jose R. Cabrero-Antonino; Ángel Cantín; Avelino Corma","Gold(I) Catalyzes the Intermolecular Hydroamination of Alkynes with Imines and Produces α,α',N-Triarylbisenamines: Studies on Their Use As Intermediates in Synthesis","Journal of Organic Chemistry","2010","75","","7769","7780","10.1021/jo101674t","","x-ray","0.7107","MoKα","","0.0239","0.0176","","","0.0362","0.0374","","","","","","1.079","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025833","9.417","0.0003","22.4201","0.0008","9.2632","0.0003","90","","113.168","0.002","90","","1798.02","0.11","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","","Antonio Leyva-Pérez; Jose R. Cabrero-Antonino; Ángel Cantín; Avelino Corma","Gold(I) Catalyzes the Intermolecular Hydroamination of Alkynes with Imines and Produces α,α',N-Triarylbisenamines: Studies on Their Use As Intermediates in Synthesis","Journal of Organic Chemistry","2010","75","","7769","7780","10.1021/jo101674t","","x-ray","0.71073","MoKα","","0.0591","0.0446","","","0.1135","0.1229","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025834","7.5332","0.0012","18.566","0.003","33.103","0.005","90","","90","","90","","4629.8","1.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C29 H27 N O4 -","- C29 H27 N O4 -","- C232 H216 N8 O32 -","8","1","","Antonio Leyva-Pérez; Jose R. Cabrero-Antonino; Ángel Cantín; Avelino Corma","Gold(I) Catalyzes the Intermolecular Hydroamination of Alkynes with Imines and Produces α,α',N-Triarylbisenamines: Studies on Their Use As Intermediates in Synthesis","Journal of Organic Chemistry","2010","75","","7769","7780","10.1021/jo101674t","","x-ray","0.7107","MoKα","","0.1325","0.0652","","","0.1312","0.1698","","","","","","1.016","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025835","9.9479","0.0015","15.727","0.002","19.8","0.003","90","","90","","90","","3097.7","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Andria M. Panagopoulos; Matthias Zeller; Daniel P. Becker","Synthesis of an ortho-Triazacyclophane:N,N',N''-Trimethyltribenzo-1,4,7-triazacyclononatriene","Journal of Organic Chemistry","2010","75","","7887","7892","10.1021/jo1017074","","","0.71073","MoKα","","0.0972","0.0521","","","0.1043","0.1191","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025836","8.4638","0.0011","9.5592","0.0013","10.0336","0.0014","63.026","0.001","77.877","0.002","71.216","0.002","682.97","0.16","87","2","87","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H7 Cl2 F N2 O3 -","- C14 H7 Cl2 F N2 O3 -","- C28 H14 Cl4 F2 N4 O6 -","2","1","","Nohemy A. Sorto; Marilyn M. Olmstead; Jared T. Shaw","Practical Synthesis of PC190723, an Inhibitor of the Bacterial Cell Division Protein FtsZ","Journal of Organic Chemistry","2010","75","","7946","7949","10.1021/jo101720y","","","0.71073","MoKα","","0.0327","0.0319","","","0.0865","0.0871","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025837","12.7197","0.0007","14.9537","0.0008","19.9989","0.0011","90","","90","","90","","3803.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C200 H152 N8 O24 -","8","2","","Lei Wang; Yu-Cheng Huang; Yang Liu; Hoong-Kun Fun; Yan Zhang; Jian-Hua Xu","Photoinduced [4 + 4], [4 + 2], and [2 + 2] Cycloadditions of o-Quinones with Oxazoles: Chemo-, Regio-, and Diastereoselectivity","Journal of Organic Chemistry","2010","75","","7757","7768","10.1021/jo101764f","","","0.71073","MoKα","","0.094","0.0606","","","0.1156","0.1282","","","","","","1.09","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025838","9.7928","0.0004","18.956","0.0009","19.1443","0.0009","105.263","0.001","95.153","0.001","103.847","0.001","3284.2","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C89 H60 N2 O11 -","- C89 H60 N2 O11 -","- C178 H120 N4 O22 -","2","1","","Lei Wang; Yu-Cheng Huang; Yang Liu; Hoong-Kun Fun; Yan Zhang; Jian-Hua Xu","Photoinduced [4 + 4], [4 + 2], and [2 + 2] Cycloadditions of o-Quinones with Oxazoles: Chemo-, Regio-, and Diastereoselectivity","Journal of Organic Chemistry","2010","75","","7757","7768","10.1021/jo101764f","","","0.71073","MoKα","","0.0857","0.0487","","","0.1214","0.1441","","","","","","1.026","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025839","7.464","0.0009","22.733","0.003","38.698","0.005","90","0.003","92.73","0.003","90","0.003","6558.8","1.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H23 Cl2 F29 N6 Pd -","- C78 H23 Cl2 F29 N6 Pd -","- C312 H92 Cl8 F116 N24 Pd4 -","4","1","","Tomohiro Higashino; Mitsunori Inoue; Atsuhiro Osuka","Singly N-Fused Möbius Aromatic [28]Hexaphyrins(1.1.1.1.1.1)","Journal of Organic Chemistry","2010","75","","7958","7961","10.1021/jo1018156","","","0.71069","MoKα","","0.141","0.081","","","0.1313","0.1464","","","","","","1.004","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025840","16.0304","0.0016","16.9814","0.0017","22.096","0.002","90","","90","","90","","6014.9","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H83 N9 O12 S2 -","- C56 H77 N9 O12 S2 -","- C224 H308 N36 O48 S8 -","4","1","","Jason C. Kwan; Ranjala Ratnayake; Khalil A. Abboud; Valerie J. Paul; Hendrik Luesch","Grassypeptolides A-C, Cytotoxic Bis-thiazoline Containing Marine Cyclodepsipeptides","Journal of Organic Chemistry","2010","75","","8012","8023","10.1021/jo1013564","","","0.71073","MoKα","","0.1972","0.0571","","","0.0884","0.1156","","","","","","0.802","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025841","9.4292","0.001","14.338","0.0015","19.96","0.002","90","","91.711","0.003","90","","2697.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 N P2 -","- C33 H27 N P2 -","- C132 H108 N4 P8 -","4","1","","Raju Ghosh; Amitabha Sarkar","Bidentate P, N-P Ligand for Nickel-Catalyzed Cross-Coupling of Aryl or Benzyl Chlorides with ArMgX","Journal of Organic Chemistry","2010","75","","8283","8286","10.1021/jo1016458","","","0.71073","MoKα","","0.0508","0.0359","","","0.0844","0.091","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025842","9.9428","0.0016","15.4","0.002","9.9985","0.0017","90","","109.144","0.004","90","","1446.3","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H27 Cl2 N Ni P2 -","- C33 H27 Cl2 N Ni P2 -","- C66 H54 Cl4 N2 Ni2 P4 -","2","1","","Raju Ghosh; Amitabha Sarkar","Bidentate P, N-P Ligand for Nickel-Catalyzed Cross-Coupling of Aryl or Benzyl Chlorides with ArMgX","Journal of Organic Chemistry","2010","75","","8283","8286","10.1021/jo1016458","","","0.71073","MoKα","","0.0454","0.0379","","","0.0843","0.0881","","","","","","1.055","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025843","5.8081","0.0006","10.9082","0.001","8.2899","0.0008","90","","91.556","0.006","90","","525.02","0.09","291","2","291","2","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","perhydro-2,3,4a,6,7,8a-naphthalenehexol","","- C10 H18 O6 -","- C10 H18 O6 -","- C20 H36 O12 -","2","0.5","","Goverdhan Mehta; Saikat Sen","A Vicarious One-Pot Transformation of a Fluorocyclitol to a Polycyclitol: Observation of a Formal 4-Fold Axial-Equatorial Epimerization on a Conformationally Locked Scaffold","Journal of Organic Chemistry","2010","75","","8287","8290","10.1021/jo101660x","","","0.71073","MoKa","","0.0657","0.041","","","0.1006","0.1102","","","","","","0.973","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025844","16.9993","0.0006","9.6707","0.0003","21.5381","0.0007","90","","109.588","0.002","90","","3335.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40.75 H31.5 Cl1.5 N4 O0.25 -","- C40.75 H31.5 Cl1.5 N4 O0.25 -","- C163 H126 Cl6 N16 O -","4","1","","K. R. Justin Thomas; Payal Tyagi","Synthesis, Spectra, and Theoretical Investigations of the Triarylamines Based on 6H-Indolo[2,3-b]quinoxaline","Journal of Organic Chemistry","2010","75","","8100","8111","10.1021/jo1016663","","","0.71073","MoKα","","0.1156","0.0855","","","0.271","0.3063","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025845","27.083","0.003","5.8323","0.0007","34.23","0.004","90","","111.812","0.003","90","","5019.8","1","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 -","- C40 H24 -","- C320 H192 -","8","1","","Xiaojie Zhang; Xiaoxia Jiang; Kai Zhang; Lu Mao; Jing Luo; Chunyan Chi; Hardy Sze On Chan; Jishan Wu","Synthesis, Self-Assembly, and Charge Transporting Property of Contorted Tetrabenzocoronenes","Journal of Organic Chemistry","2010","75","","8069","8077","10.1021/jo101701k","","","0.71073","MoKα","","0.1214","0.0898","","","0.1906","0.2063","","","","","","1.171","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025846","10.7924","0.0018","10.9938","0.0018","13.144","0.002","101.931","0.003","109.727","0.004","107.943","0.004","1309.8","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C72 H84 -","- C72 H84 -","- C72 H84 -","1","0.5","","Xiaojie Zhang; Xiaoxia Jiang; Kai Zhang; Lu Mao; Jing Luo; Chunyan Chi; Hardy Sze On Chan; Jishan Wu","Synthesis, Self-Assembly, and Charge Transporting Property of Contorted Tetrabenzocoronenes","Journal of Organic Chemistry","2010","75","","8069","8077","10.1021/jo101701k","","","0.71073","MoKα","","0.1486","0.0782","","","0.1896","0.2335","","","","","","0.971","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025847","5.6029","0.0001","8.2626","0.0002","30.1557","0.0008","90","","90","","90","","1396.04","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N -","- C18 H19 N -","- C72 H76 N4 -","4","1","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.0473","0.038","","0.0885","0.0839","0.0885","","","","","","0.9929","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025848","7.1891","0.0002","7.212","0.0002","27.09","0.0009","90","","90","","90","","1404.56","0.07","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N -","- C18 H19 N -","- C72 H76 N4 -","4","1","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.0837","0.0508","","0.1182","0.1069","0.1182","","","","","","0.9305","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025849","9.7315","0.0003","10.5112","0.0003","11.3814","0.0004","64.3905","0.0014","87.8962","0.0014","85.514","0.0015","1046.61","0.06","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C25 H26.5 Cl N O2 -","- C25 H26.5 Cl N O2 -","- C50 H53 Cl2 N2 O4 -","2","2","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.1095","0.0992","","0.094","0.0865","0.0838","","","","","","0.895","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025850","9.3063","0.0002","9.0446","0.0002","14.3162","0.0003","90","","103.493","0.001","90","","1171.76","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C54 H62 N2 O10 -","2","1","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.0484","0.041","","0.1001","0.0959","0.1001","","","","","","0.9874","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025851","8.1254","0.0011","13.4757","0.0018","21.652","0.003","90","","90","","90","","2370.8","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O2 Si -","- C26 H31 N O2 Si -","- C104 H124 N4 O8 Si4 -","4","1","","Christopher S. Junker; Mark E. Welker; Cynthia S. Day","Synthesis of 4-Aryl- and 4-Alkyl-2-silyl-1,3-butadienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2010","75","","8155","8165","10.1021/jo1017734","","","0.71073","MoKα","","0.0584","0.0471","","","0.1131","0.1217","","","","","","1.039","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025852","7.1897","0.0009","10.0648","0.0012","29.034","0.004","90","","90","","90","","2101","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O3 Si -","- C24 H26 O3 Si -","- C96 H104 O12 Si4 -","4","1","","Christopher S. Junker; Mark E. Welker; Cynthia S. Day","Synthesis of 4-Aryl- and 4-Alkyl-2-silyl-1,3-butadienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2010","75","","8155","8165","10.1021/jo1017734","","","0.71073","MoKα","","0.0659","0.0571","","","0.1261","0.1298","","","","","","1.134","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025853","11.975","0.003","16.248","0.004","21.172","0.006","90","","95.843","0.004","90","","4098","1.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C200 H216 N8 O16 -","8","2","","Christopher S. Junker; Mark E. Welker; Cynthia S. Day","Synthesis of 4-Aryl- and 4-Alkyl-2-silyl-1,3-butadienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2010","75","","8155","8165","10.1021/jo1017734","","","0.71073","MoKα","","0.2093","0.0869","","","0.172","0.2255","","","","","","0.961","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025854","9.2184","0.0018","12.314","0.003","18.222","0.004","90","","90","","90","","2068.5","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl2 N5 O -","- C20 H17 Cl2 N5 O -","- C80 H68 Cl8 N20 O4 -","4","1","","Jinbao Xiang; Tong Zhu; Qun Dang; Xu Bai","Stereochemistry as a Tool in Deciphering the Processes of a Tandem Iminium Cyclization and Smiles Rearrangement","Journal of Organic Chemistry","2010","75","","8147","8154","10.1021/jo101798p","","","0.71073","MoKα","","0.0709","0.0603","","","0.1775","0.2051","","","","","","0.861","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025855","10.511","0.002","7.9696","0.0016","11.326","0.002","90","","106.79","0.03","90","","908.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl2 N5 -","- C19 H17 Cl2 N5 -","- C38 H34 Cl4 N10 -","2","1","","Jinbao Xiang; Tong Zhu; Qun Dang; Xu Bai","Stereochemistry as a Tool in Deciphering the Processes of a Tandem Iminium Cyclization and Smiles Rearrangement","Journal of Organic Chemistry","2010","75","","8147","8154","10.1021/jo101798p","","","0.71073","MoKα","","0.0776","0.068","","","0.2058","0.2158","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025856","7.7699","0.0004","4.7912","0.0003","32.413","0.0018","90","","96.533","0.003","90","","1198.81","0.12","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I O4 -","- C14 H9 I O4 -","- C56 H36 I4 O16 -","4","1","","Quan Zhou; Barry B. Snider","Synthesis of Hexacyclic Parnafungin A and C Models","Journal of Organic Chemistry","2010","75","","8224","8233","10.1021/jo101826p","","","0.71073","MoKα","","0.0677","0.0593","","0.1234","0.121","0.1234","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025857","4.7205","0.0003","11.9607","0.0007","24.1144","0.0012","90","","90","","90","","1361.51","0.14","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2,7-difluoro-2-(5-oxo-5H-chromeno[2,3-b]pyridin-2-yl)acetate","","- C16 H11 F2 N O4 -","- C16 H11 F2 N O4 -","- C64 H44 F8 N4 O16 -","4","1","","Muhammad Farooq Ibad; Obaid-Ur-Rahman Abid; Muhammad Adeel; Muhammad Nawaz; Verena Wolf; Alexander Villinger; Peter Langer","Synthesis of Highly Functionalized Biaryls by Condensation of 2-Fluoro-1,3-bis(silyloxy) 1,3-Dienes with 3-Cyanochromones and Subsequent Domino ""Retro-Michael/Aldol/Fragmentation""","Journal of Organic Chemistry","2010","75","","8315","8318","10.1021/jo1018443","","","0.71073","MoKα","","0.1035","0.0654","","","0.1044","0.1132","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025858","21.194","0.018","8.813","0.007","22.075","0.019","90","","109.443","0.016","90","","3888","6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-butyl-4-cyano-2-fluoro-3-5-chloro-(2-ethoxycarbonyloxy)-phenole","","- C20 H19 Cl F N O4 -","- C20 H19 Cl F N O4 -","- C160 H152 Cl8 F8 N8 O32 -","8","2","","Muhammad Farooq Ibad; Obaid-Ur-Rahman Abid; Muhammad Adeel; Muhammad Nawaz; Verena Wolf; Alexander Villinger; Peter Langer","Synthesis of Highly Functionalized Biaryls by Condensation of 2-Fluoro-1,3-bis(silyloxy) 1,3-Dienes with 3-Cyanochromones and Subsequent Domino ""Retro-Michael/Aldol/Fragmentation""","Journal of Organic Chemistry","2010","75","","8315","8318","10.1021/jo1018443","","","0.71073","MoKα","","0.0935","0.0517","","","0.1357","0.151","","","","","","1.056","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025859","16.805","0.005","7.535","0.002","14.901","0.005","90","","111.354","0.004","90","","1757.3","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O2 S -","- C21 H20 O2 S -","- C84 H80 O8 S4 -","4","1","","Uzma I. Zakai; Anna Błoch-Mechkour; Neil E. Jacobsen; Leif Abrell; Guangxin Lin; Gary S. Nichol; Thomas Bally; Richard S. Glass","Synthesis and Structure of m-Terphenyl Thio-, Seleno-, and Telluroethers","Journal of Organic Chemistry","2010","75","","8363","8371","10.1021/jo101299x","","","0.71073","MoKα","","0.0781","0.0389","","","0.0738","0.0947","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025860","10.6284","0.001","18.8101","0.0013","19.028","0.0013","85.971","0.006","83.455","0.007","89.366","0.007","3770","0.5","150","","150","","","","101","","","","","5","P -1","-P 1","2","","4,10,24-Trinitro-25,26,27,28-tetrapropoxythiacalix[4]arene 1,3-alternate","","- C36 H37 N3 O10 S4 -","- C36 H37 N3 O10 S4 -","- C144 H148 N12 O40 S16 -","4","2","","Ondrej Kundrat; Jan Kroupa; Stanislav Böhm; Jan Budka; Vaclav Eigner; Pavel Lhotak","Meta Nitration of Thiacalixarenes","Journal of Organic Chemistry","2010","75","","8372","8375","10.1021/jo1013492","","","1.54184","CuKα","","0.1297","0.08","","0.2453","0.2096","0.2453","","","","","","0.9023","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025861","10.24","0.001","21.3709","0.0014","16.9596","0.0011","90","","90","","90","","3711.4","0.5","150","","150","","","","101","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,18-Dinitro-25,26,27,28-tetrapropoxythiacalix[4]arene 1,3-alternate","","- C36 H38 N2 O8 S4 -","- C36 H38 N2 O8 S4 -","- C144 H152 N8 O32 S16 -","4","1","","Ondrej Kundrat; Jan Kroupa; Stanislav Böhm; Jan Budka; Vaclav Eigner; Pavel Lhotak","Meta Nitration of Thiacalixarenes","Journal of Organic Chemistry","2010","75","","8372","8375","10.1021/jo1013492","","","1.5418","CuKα","","0.0946","0.0896","","0.2361","0.23","0.2361","","","","","","0.9463","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025862","25.967","0.012","10.7286","0.0014","21.041","0.009","90","","131.17","0.07","90","","4413","6","150","","150","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","4,16-Dinitro-25,26,27,28-tetrapropoxythiacalix[4]arene 1,3-alternate","","- C42 H50 N2 O10 S4 -","- C42 H50 N2 O10 S4 -","- C168 H200 N8 O40 S16 -","4","0.5","","Ondrej Kundrat; Jan Kroupa; Stanislav Böhm; Jan Budka; Vaclav Eigner; Pavel Lhotak","Meta Nitration of Thiacalixarenes","Journal of Organic Chemistry","2010","75","","8372","8375","10.1021/jo1013492","","","1.5418","CuKα","","0.094","0.0683","","0.1037","0.0771","0.0771","","","","","","1.0876","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025863","18.5439","0.0017","8.3721","0.0008","21.282","0.002","90","","90","","90","","3304.1","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H19 N5 O4 S -","- C15 H19 N5 O4 S -","- C120 H152 N40 O32 S8 -","8","1","","Larissa B. Krasnova; Jason E. Hein; Valery V. Fokin","Synthesis of 7-Aza-5-deazapurine Analogues via Copper(I)-Catalyzed Hydroamination of Alkynes and 1-Iodoalkynes","Journal of Organic Chemistry","2010","75","","8662","8665","10.1021/jo1016376","","","0.71073","MoKα","","0.0388","0.0362","","","0.0966","0.0993","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025864","5.5727","0.0012","13.436","0.003","23.627","0.005","90","","92.485","0.007","90","","1767.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 I N5 O5 S -","- C14 H18 I N5 O5 S -","- C56 H72 I4 N20 O20 S4 -","4","1","","Larissa B. Krasnova; Jason E. Hein; Valery V. Fokin","Synthesis of 7-Aza-5-deazapurine Analogues via Copper(I)-Catalyzed Hydroamination of Alkynes and 1-Iodoalkynes","Journal of Organic Chemistry","2010","75","","8662","8665","10.1021/jo1016376","","","0.71073","MoKα","","0.0757","0.045","","","0.0768","0.087","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025865","10.195","0.002","12.572","0.003","13.12","0.003","89.811","0.004","68.309","0.003","72.842","0.004","1482.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-(2-iodylphenyl)-2-methylpropanoic acid","Pseudocyclic IBX Acid1","","- C12 H12 F3 I O6 -","- C12 H12 F3 I O6 -","- C48 H48 F12 I4 O24 -","4","2","","Jarugu Narasimha Moorthy; Kalyan Senapati; Keshaba Nanda Parida","6-Membered Pseudocyclic IBX Acids: Syntheses, X-ray Structural Characterizations, and Oxidation Reactivities in Common Organic Solvents","Journal of Organic Chemistry","2010","75","","8416","8421","10.1021/jo101639j","","","0.71073","MoKα","","0.0325","0.0287","","","0.0758","0.0789","","","","","","1.064","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025866","18.283","0.004","18.283","0.004","7.148","0.002","90","","90","","90","","2389.3","1","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","2-ethyl-2-(2-iodylphenyl)butanoic acid","Pseudocyclic IBX Acid2","","- C12 H15 I O4 -","- C12 H15 I O4 -","- C96 H120 I8 O32 -","8","1","","Jarugu Narasimha Moorthy; Kalyan Senapati; Keshaba Nanda Parida","6-Membered Pseudocyclic IBX Acids: Syntheses, X-ray Structural Characterizations, and Oxidation Reactivities in Common Organic Solvents","Journal of Organic Chemistry","2010","75","","8416","8421","10.1021/jo101639j","","","0.71073","MoKα","","0.0594","0.0435","","","0.088","0.118","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025867","9.5928","0.00018","9.33221","0.00017","11.7332","0.0003","90","","97.7632","0.0019","90","","1040.75","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","","Fangxi Xu; Dan Huang; Chao Han; Wei Shen; Xufeng Lin; Yanguang Wang","SPINOL-Derived Phosphoric Acids: Synthesis and Application in Enantioselective Friedel-Crafts Reaction of Indoles with Imines","Journal of Organic Chemistry","2010","75","","8677","8680","10.1021/jo101640z","","","1.54184","CuKα","","0.04","0.0353","","","0.0886","0.0939","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025868","5.8952","0.0002","10.8623","0.0006","17.4689","0.0008","88.961","0.004","81.329","0.004","87.944","0.004","1105.04","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H31 Cl3 O4 -","- C21 H31 Cl3 O4 -","- C42 H62 Cl6 O8 -","2","2","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","1.54184","CuKα","","0.0995","0.0938","","","0.272","0.295","","","","","","1.41","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025869","11.9009","0.0019","21.48","0.003","29.011","0.005","90","","90","","90","","7416","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C320 H480 O64 -","16","4","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","0.71073","MoKα","","0.0924","0.0884","","","0.176","0.178","","","","","","1.28","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025870","14.4022","0.0013","14.4022","0.0013","9.5546","0.0016","90","","90","","90","","1981.8","0.4","150","2","150","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","0.5","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","0.71073","MoKα","","0.0378","0.0373","","","0.0978","0.0983","","","","","","1.148","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025871","5.9089","0.0015","17.868","0.005","10.642","0.003","90","","97.847","0.004","90","","1113.1","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 Cl3 O4 -","- C21 H31 Cl3 O4 -","- C42 H62 Cl6 O8 -","2","1","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","0.71073","MoKα","","0.0982","0.0757","","","0.176","0.1874","","","","","","1.038","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025872","7.2634","0.0004","11.5796","0.0006","13.9766","0.0007","109.372","0.001","94.344","0.001","99.475","0.001","1083.07","0.1","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H30 O6 -","- C25 H30 O6 -","- C50 H60 O12 -","2","1","","Hui-Jing Li; Régis Guillot; Vincent Gandon","A Gallium-Catalyzed Cycloisomerization/Friedel-Crafts Tandem","Journal of Organic Chemistry","2010","75","","8435","8449","10.1021/jo101709n","","x-ray","0.71073","MoKα","","0.0439","0.0382","","","0.1047","0.1094","","","","","","1.029","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025873","13.908","0.0011","11.9265","0.0009","14.027","0.0011","90","","110.459","0.002","90","","2179.9","0.3","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 O5 -","- C25 H30 O5 -","- C100 H120 O20 -","4","1","","Hui-Jing Li; Régis Guillot; Vincent Gandon","A Gallium-Catalyzed Cycloisomerization/Friedel-Crafts Tandem","Journal of Organic Chemistry","2010","75","","8435","8449","10.1021/jo101709n","","x-ray","0.71073","MoKα","","0.0664","0.0455","","","0.1192","0.1328","","","","","","1.027","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025874","13.3258","0.0007","18.9082","0.0009","29.0052","0.0015","90","","90","","90","","7308.4","0.6","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N3 O -","- C20 H23 N3 O -","- C320 H368 N48 O16 -","16","2","","Lisa M. Jordan; Paul D. Boyle; Andrew L. Sargent; William E. Allen","Binding of Carboxylic Acids by Fluorescent Pyridyl Ureas","Journal of Organic Chemistry","2010","75","","8450","8456","10.1021/jo101730w","","","0.71073","MoKα","","0.1402","0.092","","","0.256","0.3037","","","","","","1.027","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025875","13.157","0.004","9.516","0.003","13.529","0.004","90","","111.001","0.005","90","","1581.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Nitro galactose","","","- C34 H37 N O9 -","- C34 H37 N O9 -","- C68 H74 N2 O18 -","2","1","","Pavan K. Kancharla; Yashwant D. Vankar","Chemistry of 2-Nitroglycals: A One-Pot Three-Component Stereoselective Approach toward 2-C-Branched O-Galactosides","Journal of Organic Chemistry","2010","75","","8457","8464","10.1021/jo101735u","","","0.71073","MoKα","","0.0798","0.0625","","","0.1467","0.1618","","","","","","0.954","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025876","10.727","0.0007","13.219","0.0006","14.03","0.0009","91.009","0.003","93.458","0.003","102.291","0.003","1939.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 Br O3 -","- C20 H30 Br O3 -","- C80 H120 Br4 O12 -","4","2","","Karol Michalak; Michał Michalak; Jerzy Wicha","Construction of the Tricyclic 5-7-6 Scaffold of Fungi-Derived Diterpenoids. Total Synthesis of (\±)-Heptemerone G and an Approach to Danishefsky's Intermediate for Guanacastepene A Synthesis","Journal of Organic Chemistry","2010","75","","8337","8350","10.1021/jo101758t","","","0.71073","MoKα","","0.0897","0.0777","","","0.1855","0.1891","","","","","","1.258","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025877","5.6144","0.0007","10.0973","0.0013","11.4889","0.0018","79.041","0.012","80.182","0.012","86.428","0.01","629.77","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 N7 O S -","- C11 H11 N7 O S -","- C22 H22 N14 O2 S2 -","2","1","","Sergey L. Deev; Zakhar O. Shenkarev; Tatyana S. Shestakova; Oleg N. Chupakhin; Vladimir L. Rusinov; Alexander S. Arseniev","Selective 15N-Labeling and Analysis of 13C-15N J Couplings as an Effective Tool for Studying the Structure and Azide-Tetrazole Equilibrium in a Series of Tetrazolo[1,5-b][1,2,4]triazines and Tetrazolo[1,5-a]pyrimidines","Journal of Organic Chemistry","2010","75","","8487","8497","10.1021/jo1017876","","","0.71073","MoKα","","0.0668","0.05","","","0.1321","0.1414","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025878","7.0702","0.0004","5.6183","0.0002","13.1708","0.0008","90","","99.457","0.005","90","","516.07","0.05","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 N5 -","- C4 H3 N5 -","- C16 H12 N20 -","4","1","","Sergey L. Deev; Zakhar O. Shenkarev; Tatyana S. Shestakova; Oleg N. Chupakhin; Vladimir L. Rusinov; Alexander S. Arseniev","Selective 15N-Labeling and Analysis of 13C-15N J Couplings as an Effective Tool for Studying the Structure and Azide-Tetrazole Equilibrium in a Series of Tetrazolo[1,5-b][1,2,4]triazines and Tetrazolo[1,5-a]pyrimidines","Journal of Organic Chemistry","2010","75","","8487","8497","10.1021/jo1017876","","","0.71073","MoKα","","0.0424","0.0338","","","0.0993","0.1045","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025879","5.2462","0.0004","9.242","0.0006","10.221","0.0006","88.875","0.005","81.197","0.006","87.307","0.006","489.15","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H9 N7 O3 -","- C6 H9 N7 O3 -","- C12 H18 N14 O6 -","2","1","","Sergey L. Deev; Zakhar O. Shenkarev; Tatyana S. Shestakova; Oleg N. Chupakhin; Vladimir L. Rusinov; Alexander S. Arseniev","Selective 15N-Labeling and Analysis of 13C-15N J Couplings as an Effective Tool for Studying the Structure and Azide-Tetrazole Equilibrium in a Series of Tetrazolo[1,5-b][1,2,4]triazines and Tetrazolo[1,5-a]pyrimidines","Journal of Organic Chemistry","2010","75","","8487","8497","10.1021/jo1017876","","","0.71073","MoKα","","0.0467","0.0328","","","0.0899","0.0958","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025880","11.529","0.005","12.016","0.005","16.731","0.007","90","","109.697","0.007","90","","2182.2","1.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Fe N4 O6.55 -","- C22 H22 Fe N4 O6.55 -","- C88 H88 Fe4 N16 O26.2 -","4","1","","Amit N. Patwa; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Bis(thymine/uracil) Conjugates: Base Pairing Directed, Spacer Dependent Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2010","75","","8705","8708","10.1021/jo101813z","","","0.71073","MoKα","","0.0465","0.0389","","","0.0938","0.0977","","","","","","1.257","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025881","12.917","0.01","6.74","0.005","25.088","0.016","90","","119.87","0.03","90","","1894","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N4 O4 -","- C20 H18 Fe N4 O4 -","- C80 H72 Fe4 N16 O16 -","4","1","","Amit N. Patwa; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Bis(thymine/uracil) Conjugates: Base Pairing Directed, Spacer Dependent Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2010","75","","8705","8708","10.1021/jo101813z","","","0.71073","MoKα","","0.0666","0.0503","","","0.1145","0.1319","","","","","","1.064","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025882","6.2963","0.0009","14.3075","0.0019","21.551","0.003","90","","90","","90","","1941.4","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 Br N O4 -","- C24 H16 Br N O4 -","- C96 H64 Br4 N4 O16 -","4","1","","Xin Li; Shenshen Hu; Zhiguo Xi; Long Zhang; Sanzhong Luo; Jin-Pei Cheng","Chiral Amine Thiourea-Promoted Enantioselective Michael Addition Reactions of 3-Substituted Benzofuran-2(3H)-ones to Maleimides","Journal of Organic Chemistry","2010","75","","8697","8700","10.1021/jo101832e","","","0.71073","MoKα","","0.0369","0.0344","","","0.0685","0.0696","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025883","42.448","0.006","9.5441","0.0013","11.4778","0.0016","90","","90.882","0.002","90","","4649.4","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 O2 Si2 -","- C24 H30 O2 Si2 -","- C192 H240 O16 Si16 -","8","1","","Runa Pal; Ronald J. Clark; Mariappan Manoharan; Igor V. Alabugin","Fast Oxy-Cope Rearrangements of Bis-alkynes: Competition with Central C-C Bond Fragmentation and Incorporation in Tunable Cascades Diverging from a Common Bis-allenic Intermediate","Journal of Organic Chemistry","2010","75","","8689","8692","10.1021/jo101838a","","","0.71073","MoKα","","0.0861","0.0588","","","0.0748","0.079","","","","","","2.253","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025884","42.704","0.006","5.916","0.0008","24.266","0.003","90","","123.216","0.002","90","","5128.8","1.2","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 O2 -","- C32 H26 O2 -","- C256 H208 O16 -","8","1","","Runa Pal; Ronald J. Clark; Mariappan Manoharan; Igor V. Alabugin","Fast Oxy-Cope Rearrangements of Bis-alkynes: Competition with Central C-C Bond Fragmentation and Incorporation in Tunable Cascades Diverging from a Common Bis-allenic Intermediate","Journal of Organic Chemistry","2010","75","","8689","8692","10.1021/jo101838a","","","0.71073","MoKα","","0.0593","0.0439","","","0.1163","0.1243","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025885","8.591","0.0003","17.3404","0.0005","11.6781","0.0003","90","","109.251","0.002","90","","1642.42","0.09","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Runa Pal; Ronald J. Clark; Mariappan Manoharan; Igor V. Alabugin","Fast Oxy-Cope Rearrangements of Bis-alkynes: Competition with Central C-C Bond Fragmentation and Incorporation in Tunable Cascades Diverging from a Common Bis-allenic Intermediate","Journal of Organic Chemistry","2010","75","","8689","8692","10.1021/jo101838a","","","0.71073","MoKα","","0.0239","0.0211","","","0.0409","0.0425","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025886","5.889","0.0002","12.0381","0.0004","14.7561","0.0005","90","","94.825","0.002","90","","1042.39","0.06","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C30 H22 O2 -","- C30 H22 O2 -","- C60 H44 O4 -","2","1","","Runa Pal; Ronald J. Clark; Mariappan Manoharan; Igor V. Alabugin","Fast Oxy-Cope Rearrangements of Bis-alkynes: Competition with Central C-C Bond Fragmentation and Incorporation in Tunable Cascades Diverging from a Common Bis-allenic Intermediate","Journal of Organic Chemistry","2010","75","","8689","8692","10.1021/jo101838a","","","0.71073","MoKα","","0.0338","0.0302","","","0.0455","0.0459","","","","","","2.138","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025887","5.7277","0.0008","14.2042","0.0018","16.811","0.002","90","","93.6141","0.0018","90","","1365","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-benzyl-4-(phenylethynyl)-4,5-dihydro-1H-1,2,3-triazole","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0609","0.0409","","","0.1032","0.1147","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025888","9.933","0.001","5.7873","0.0006","23.287","0.002","90","","101.418","0.0014","90","","1312.2","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-benzyl-4-(2-thienylethynyl)-1H-1,2,3-triazole","","- C15 H11 N3 S -","- C15 H11 N3 S -","- C60 H44 N12 S4 -","4","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0556","0.0456","","","0.1137","0.1209","","","","","","1.063","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025889","9.1938","0.0009","5.6198","0.0006","14.7114","0.0014","90","","102.669","0.0014","90","","741.59","0.13","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-benzyl-4-({4-methoxyphenyl}ethynyl)-4,5-dihydro-1H-1,2,3-triazole","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C36 H30 N6 O2 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0335","0.0303","","","0.0773","0.0792","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025890","5.7566","0.0011","7.9092","0.0015","18.846","0.004","90","","90.312","0.003","90","","858","0.3","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0673","0.0532","","","0.1313","0.1431","","","","","","1.056","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025891","45.3","0.008","10.171","0.0017","13.213","0.002","90","","99.865","0.005","90","","5997.8","1.7","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H33 N3 O Si -","- C34 H33 N3 O Si -","- C272 H264 N24 O8 Si8 -","8","2","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0754","0.0436","","","0.0885","0.0956","","","","","","0.869","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025892","7.8486","0.0008","8.8827","0.0009","12.1321","0.0013","70.6508","0.0019","79.5467","0.0019","68.0695","0.0019","738.68","0.13","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenylprop-2-yn-1-one","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C36 H26 N6 O2 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0771","0.0428","","","0.1029","0.1208","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025893","6.3632","0.0008","7.9519","0.0009","15.1874","0.0018","102.356","0.0018","95.3363","0.0018","91.0645","0.0018","746.84","0.15","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","1-benzyl-4-(4-phenylbuta-1,3-diyn-1-yl)-4,5-dihydro-1H-1,2,3-triazole","","- C19 H13 N3 -","- C19 H13 N3 -","- C38 H26 N6 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0678","0.0436","","","0.1142","0.1274","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025894","10.7789","0.001","5.6104","0.0005","14.1828","0.0013","90","","108.653","0.0013","90","","812.64","0.13","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C40 H30 N6 O2 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0343","0.0306","","","0.0789","0.0817","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025895","10.8926","0.001","20.067","0.0019","7.3933","0.0007","90","","90","","90","","1616","0.3","193","2","193","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H13 N3 -","- C21 H13 N3 -","- C84 H52 N12 -","4","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0412","0.0332","","","0.0902","0.107","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025896","13.0183","0.0007","13.0356","0.0006","15.9224","0.0007","90","","98.662","0.003","90","","2671.2","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 O4 -","- C18 H12 O4 -","- C144 H96 O32 -","8","2","","Myron M. Johnson; Jeremy M. Naidoo; Manuel A. Fernandes; Edwin M. Mmutlane; Willem A. L. van Otterlo; Charles B. de Koning","CAN-Mediated Oxidations for the Synthesis of Xanthones and Related Products","Journal of Organic Chemistry","2010","75","","8701","8704","10.1021/jo101873v","","","0.71073","MoKα","","0.1306","0.0789","","","0.1979","0.2383","","","","","","0.983","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025897","4.7765","0.0002","14.228","0.0005","15.4365","0.0006","90","","93.426","0.002","90","","1047.19","0.07","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O3 -","- C14 H10 O3 -","- C56 H40 O12 -","4","1","","Myron M. Johnson; Jeremy M. Naidoo; Manuel A. Fernandes; Edwin M. Mmutlane; Willem A. L. van Otterlo; Charles B. de Koning","CAN-Mediated Oxidations for the Synthesis of Xanthones and Related Products","Journal of Organic Chemistry","2010","75","","8701","8704","10.1021/jo101873v","","","0.71073","MoKα","","0.0695","0.0466","","","0.107","0.1176","","","","","","1.026","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4025898","5.2102","0.0003","30.1686","0.0016","8.4028","0.0005","90","","94.569","0.004","90","","1316.59","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl O5 -","- C15 H11 Cl O5 -","- C60 H44 Cl4 O20 -","4","1","","Myron M. Johnson; Jeremy M. Naidoo; Manuel A. Fernandes; Edwin M. Mmutlane; Willem A. L. van Otterlo; Charles B. de Koning","CAN-Mediated Oxidations for the Synthesis of Xanthones and Related Products","Journal of Organic Chemistry","2010","75","","8701","8704","10.1021/jo101873v","","","0.71073","MoKα","","0.0927","0.0479","","","0.0886","0.1029","","","","","","1.039","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4025899","11.6971","0.0013","14.5521","0.0015","17.317","0.002","90","","95.522","0.002","90","","2934","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl2 N O4 -","- C33 H29 Cl2 N O4 -","- C132 H116 Cl8 N4 O16 -","4","1","","Ming Li; Yan-Li Hou; Li-Rong Wen; Fu-Meng Gong","Reactivity of Functionalized N,S-Ketene Acetal: Regioselective Construction of Tetrahydrobenzo[b]pyran and Chromeno[2,3-b]quinoline Derivatives","Journal of Organic Chemistry","2010","75","","8522","8532","10.1021/jo101902z","","","0.71073","MoKα","","0.1718","0.0644","","","0.1443","0.1993","","","","","","1","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025900","14.248","0.002","13.968","0.002","9.2058","0.0014","90","","100.089","0.004","90","","1803.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N O3 S -","- C21 H18 N O3 S -","- C84 H72 N4 O12 S4 -","4","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0808","0.0592","","","0.1564","0.1717","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025901","10.7629","0.001","9.5687","0.0009","16.1405","0.0015","90","","104.848","0.002","90","","1606.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0753","0.0588","","","0.1622","0.1751","","","","","","0.981","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025902","18.1117","0.0013","8.9175","0.0006","21.5176","0.0016","90","","98.018","0.002","90","","3441.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C160 H168 N8 O24 S8 -","8","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0632","0.0517","","","0.1715","0.18","","","","","","1.321","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025903","11.0635","0.0007","14.2914","0.0009","12.9073","0.0009","90","","114.868","0.002","90","","1851.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0622","0.0427","","","0.1257","0.1442","","","","","","0.825","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025904","10.9224","0.0006","7.7301","0.0004","34.5866","0.0018","90","","90","","90","","2920.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C128 H120 Br8 O32 -","8","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0537","0.0365","","","0.1071","0.1216","","","","","","0.903","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025905","6.5771","0.0002","7.3843","0.0002","32.659","0.0008","90","","90","","90","","1586.16","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N O4 -","- C16 H16 Cl N O4 -","- C64 H64 Cl4 N4 O16 -","4","1","","Li-Ping Fan; Ping Li; Xin-Sheng Li; Dong-Cheng Xu; Meng-Meng Ge; Wei-Dong Zhu; Jian-Wu Xie","Facile Domino Access to Chiral Mono-, Bi-, and Tricyclic 2,3-Dihydrofurans","Journal of Organic Chemistry","2010","75","","8716","8719","10.1021/jo101935k","","","0.71073","MoKα","","","0.0399","","","0.1034","0.1104","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025906","22.0833","0.001","7.095","0.0003","20.918","0.001","90","","119.36","0.006","90","","2856.5","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C120 H120 N8 O40 -","8","1","","Li-Ping Fan; Ping Li; Xin-Sheng Li; Dong-Cheng Xu; Meng-Meng Ge; Wei-Dong Zhu; Jian-Wu Xie","Facile Domino Access to Chiral Mono-, Bi-, and Tricyclic 2,3-Dihydrofurans","Journal of Organic Chemistry","2010","75","","8716","8719","10.1021/jo101935k","","","0.71073","MoKα","","","0.0431","","","0.1166","0.1283","","","","","","1.039","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025907","10.064","0.008","10.526","0.008","11.221","0.008","64.673","0.009","87.338","0.01","67.624","0.01","983.8","1.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H20 F3 N3 O3 -","- C22 H20 F3 N3 O3 -","- C44 H40 F6 N6 O6 -","2","2","","Eric A. Voight; Jerome F. Daanen; Michael E. Kort","Synthesis of Oxazolo[4,5-c]quinoline TRPV1 Antagonists","Journal of Organic Chemistry","2010","75","","8713","8715","10.1021/jo101938b","","","0.71073","MoKα","","0.0565","0.0503","","","0.1309","0.1375","","","","","","1.027","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025908","8.05","0.001","39.185","0.011","11.293","0.002","90","","90","","90","","3562.3","1.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C34 H31 F12 N5 O2 P2 -","- C34 H31 F12 N5 O2 P2 -","- C136 H124 F48 N20 O8 P8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71069","MoKα","","0.135","0.0966","","","0.2203","0.2354","","","","","","1.081","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025909","19.223","0.001","10.223","0.001","13.931","0.001","90","","96.79","0.01","90","","2718.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N8 O8.5 -","- C27 H26 N8 O8.5 -","- C108 H104 N32 O34 -","4","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71073","MoKα","","0.1207","0.0582","","","0.1272","0.144","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025910","20.594","0.002","7.922","0.0008","21.032","0.0017","90","","112.425","0.004","90","","3171.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F12 N6 P2 -","- C30 H30 F12 N6 P2 -","- C120 H120 F48 N24 P8 -","4","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71073","MoKα","","0.1636","0.1008","","","0.183","0.2177","","","","","","1.122","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025911","20.603","0.007","23.48","0.01","8.922","0.003","90","","92.337","0.02","90","","4313","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 F12 N6 O2 P2 -","- C40 H46 F12 N6 O2 P2 -","- C160 H184 F48 N24 O8 P8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71069","MoKα","","0.1863","0.1182","","","0.2811","0.3247","","","","","","1.076","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025912","7.4785","0.0016","33.557","0.007","10.974","0.002","90","","90","","90","","2754","1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H27 N7 O8 -","- C30 H28 N7 O8 -","- C120 H112 N28 O32 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71073","MoKα","","0.1015","0.084","","","0.1547","0.1613","","","","","","1.3","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025913","9.923","0.002","14.16","0.003","7.3443","0.0011","87.174","0.006","63.147","0.008","83.72","0.006","915.1","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","in paper 2n","","","- C44 H44 N2 S4 -","- C44 H44 N2 S4 -","- C44 H44 N2 S4 -","1","0.5","","Martina Hauck; Raluca Turdean; Karin Memminger; Jan Schönhaber; Frank Rominger; T. J. J. Müller","Luminescent, Redox-Active Diphenothiazine Dumbbells Expanded by Conjugated Arenes and Heteroarenes","Journal of Organic Chemistry","2010","75","","8591","8603","10.1021/jo101997t","","","0.71073","MoKα","","0.096","0.0526","","","0.1225","0.1671","","","","","","1.177","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025914","8.6256","0.0004","21.8854","0.0011","11.1823","0.0005","90","","103.52","0.002","90","","2052.44","0.17","103","0.1","103","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C92 H108 N4 O16 S4 -","4","1","","Jennifer A. Kozak; Brian O. Patrick; Gregory R. Dake","Gold(I)-Catalyzed Intramolecular Tandem Addition/Friedel-Crafts Reactions between Acyclic Enamides and 1-Arylalkynes","Journal of Organic Chemistry","2010","75","","8585","8590","10.1021/jo102036n","","","0.71073","MoKα","","0.0599","0.0413","","","0.1007","0.1119","","","","","","1.009","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025915","10.1624","0.001","14.6757","0.0015","15.1354","0.0015","83.821","0.002","76.625","0.002","70.557","0.002","2069.7","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H31 F3 N4 O3 S -","- C46 H31 F3 N4 O3 S -","- C92 H62 F6 N8 O6 S2 -","2","1","","Shinya Ikeda; Motoki Toganoh; Shanmugam Easwaramoorthi; Jong Min Lim; Dongho Kim; Hiroyuki Furuta","Synthesis and Photophysical Properties of N-Fused Tetraphenylporphyrin Derivatives: Near-Infrared Organic Dye of [18]Annulenic Compounds","Journal of Organic Chemistry","2010","75","","8637","8649","10.1021/jo102128m","","","0.71069","MoKα","","0.1692","0.0795","","","0.2065","0.2372","","","","","","0.814","","","","has coordinates","201982","2020-10-21","18:00:00",""