# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-21T22:30:38+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 'Organic & biomolecular chemistry') AND volume = 12 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
"7153554","7.607","0.0015","16.348","0.003","9.994","0.002","90","","110.8","0.03","90","","1161.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Guo, Jiajia; Sun, Xiaoyang; Yu, Shouyun","Diastereoselective synthesis of epoxide-fused benzoquinolizidine derivatives using intramolecular domino aza-Michael addition/Darzens reaction.","Organic & biomolecular chemistry","2014","12","2","265","268","10.1039/c3ob42068j","","","0.71073","MoKα","","0.1212","0.0664","","","0.1603","0.1895","","","","","","1","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153555","9.846","0.0005","26.3882","0.0014","7.7624","0.0004","90","","105.68","0.001","90","","1941.76","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 -","- C26 H19 N3 -","- C104 H76 N12 -","4","1","","Zhou, Wang; Yang, Youqing; Wang, Zhiwei; Deng, Guo-Jun","Rhodium-catalyzed intermolecular hydroarylation of internal alkynes with N-1-phenylbenzotriazoles.","Organic & biomolecular chemistry","2014","12","2","251","254","10.1039/c3ob42007h","","","0.71073","MoKα","","0.0396","0.0379","","","0.1069","0.108","","","","","","1.028","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153556","14.5336","0.0005","6.3146","0.0002","15.7054","0.0006","90","","108.49","0.002","90","","1366.94","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3736-D4","","","- C17 H11 Br N2 O -","- C17 H11 Br N2 O -","- C68 H44 Br4 N8 O4 -","4","1","","Zhang, Xiaofei; He, Qian; Xiang, Haoyue; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products.","Organic & biomolecular chemistry","2014","12","2","355","361","10.1039/c3ob41921e","","","0.71073","MoKα","","0.0546","0.0328","","","0.0729","0.0809","","","","","","1.021","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153557","4.8242","0.0017","12.372","0.004","12.693","0.005","104.81","0.02","95.57","0.02","90.93","0.02","728.3","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C38 H32 N4 -","2","1","","Zhang, Xiaofei; He, Qian; Xiang, Haoyue; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products.","Organic & biomolecular chemistry","2014","12","2","355","361","10.1039/c3ob41921e","","","0.71073","MoKα","","0.0681","0.0449","","","0.1149","0.1271","","","","","","1.186","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153558","25.6423","0.0013","6.0433","0.0003","16.8338","0.0009","90","","108.536","0.002","90","","2473.3","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 O3.5 -","- C12 H21 O3.5 -","- C96 H168 O28 -","8","1","","Duplan, Vincent; Serba, Christelle; Garcia, Jose; Valot, Gaëlle; Barluenga, Sofia; Hoerlé, Mélanie; Cuendet, Muriel; Winssinger, Nicolas","Synthesis of sesquiterpene-inspired derivatives designed for covalent binding and their inhibition of the NF-κB pathway.","Organic & biomolecular chemistry","2014","12","2","370","375","10.1039/c3ob42049c","","","0.71073","MoKα","","0.0565","0.0386","","","0.0952","0.1034","","","","","","1.011","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7153559","10.3743","0.0016","12.098","0.002","11.1576","0.0018","90","","105.03","0.017","90","","1352.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H33 N4 O2 -","- C30 H33 N4 O2 -","- C60 H66 N8 O4 -","2","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.0885","0.048","","","0.0954","0.105","","","","","","0.894","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153560","8.37","0.02","10.24","0.03","10.52","0.03","95.85","0.05","110.15","0.04","112.75","0.04","751","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.2386","0.1007","","","0.2831","0.3458","","","","","","1.271","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153561","8.4855","0.0012","10.2487","0.0012","11.0122","0.0013","87.534","0.01","76.273","0.011","85.501","0.011","927.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O2 -","- C20 H23 N3 O2 -","- C40 H46 N6 O4 -","2","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.3197","0.0899","","","0.1314","0.2119","","","","","","0.941","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153562","24.9384","0.0019","12.5149","0.0009","26.26","0.002","90","","111.146","0.002","90","","7643.9","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C153 H154 Cl14 Ir4 N8 O12 -","- C153 H154 Cl14 Ir4 N8 O12 -","- C306 H308 Cl28 Ir8 N16 O24 -","2","0.5","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.118","0.0739","","","0.189","0.2092","","","","","","1.002","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153563","32.2169","0.001","32.2169","0.001","20.2356","0.0013","90","","90","","120","","18189.2","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H36 Cl N2 O3 Rh -","- C37 H36 Cl N2 O3 Rh -","- C666 H648 Cl18 N36 O54 Rh18 -","18","1","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.1191","0.0472","","","0.0838","0.0877","","","","","","0.994","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153564","19.8758","0.0013","12.678","0.0009","23.5977","0.0016","90","","94.222","0.001","90","","5930.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 Cl4 Ir2 N3 O2 -","- C52 H53 Cl4 Ir2 N3 O2 -","- C208 H212 Cl16 Ir8 N12 O8 -","4","1","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.0789","0.0487","","","0.1308","0.1426","","","","","","0.999","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153565","23.252","0.003","8.8725","0.001","16.3422","0.0018","90","","90","","90","","3371.5","0.7","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H37 Cl3 N2 S -","- C37 H37 Cl3 N2 S -","- C148 H148 Cl12 N8 S4 -","4","1","","Lash, Timothy D.; El-Beck, Jessica A; Ferrence, Gregory M.","Synthesis, structural characterization and reactivity of heteroazuliporphyrins.","Organic & biomolecular chemistry","2014","12","2","316","329","10.1039/c3ob41992d","","x-ray","0.71073","MoKα","","0.0861","0.0537","","","","0.1317","","","","","","1.017","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153566","8.1545","0.0007","26.714","0.002","15.641","0.0014","90","","104.854","0.001","90","","3293.4","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Cl3 N2 Se -","- C37 H37 Cl3 N2 Se -","- C148 H148 Cl12 N8 Se4 -","4","1","","Lash, Timothy D.; El-Beck, Jessica A; Ferrence, Gregory M.","Synthesis, structural characterization and reactivity of heteroazuliporphyrins.","Organic & biomolecular chemistry","2014","12","2","316","329","10.1039/c3ob41992d","","x-ray","0.71073","MoKα","","0.0639","0.0438","","","","0.1089","","","","","","1.019","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7153567","12.8346","0.0013","7.4175","0.0009","17.3968","0.0016","90","","90","","90","","1656.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Br N2 O2 -","- C7 H5 Br N2 O2 -","- C56 H40 Br8 N16 O16 -","8","1","","Lone, Ali Mohd; Bhat, Bilal Ahmad","Metal free stereoselective synthesis of functionalized enamides.","Organic & biomolecular chemistry","2014","12","2","242","246","10.1039/c3ob41847b","","","0.71073","MoKα","","0.0754","0.0437","","","0.0936","0.1071","","","","","","1.051","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153568","12.2611","0.0011","18.2064","0.0013","17.7004","0.0019","90","","100.734","0.004","90","","3882.1","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cl2 N10 O13 -","- C36 H38 Cl2 N10 O13 -","- C144 H152 Cl8 N40 O52 -","4","0.5","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0725","0.0444","","","0.1005","0.1131","","","","","","1.017","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153569","10.6377","0.0004","12.7007","0.0005","15.6556","0.0007","96.879","0.002","90.055","0.002","106.439","0.002","2012.75","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N12 O9 -","- C38 H48 N12 O9 -","- C76 H96 N24 O18 -","2","1","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0854","0.0642","","","0.1894","0.2073","","","","","","1.04","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153570","11.5804","0.0007","14.7466","0.0009","29.1684","0.0019","90","","90.758","0.002","90","","4980.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 Cl6 N12 -","- C44 H66 Cl6 N12 -","- C176 H264 Cl24 N48 -","4","1","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0946","0.0579","","","0.167","0.2046","","","","","","1.054","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153571","9.2088","0.0003","11.1545","0.0003","13.3119","0.0005","90","","106.479","0.003","90","","1311.23","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H26 Br N O5 -","- C29 H26 Br N O5 -","- C58 H52 Br2 N2 O10 -","2","1","","Ramachary, Dhevalapally B.; Prasad, M. Shiva; Laxmi, S. Vijaya; Madhavachary, R.","Asymmetric synthesis of drug-like spiro[chroman-3,3'-indolin]-2'-ones through aminal-catalysis.","Organic & biomolecular chemistry","2014","12","4","574","580","10.1039/c3ob42100g","","","1.54184","CuKα","","0.0444","0.0404","","","0.1073","0.1134","","","","","","0.819","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153572","37.981","0.008","3.8785","0.0008","11.276","0.002","90","","97.157","0.003","90","","1648.1","0.6","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 F2 O -","- C10 H8 F2 O -","- C80 H64 F16 O8 -","8","1","","Zhang, He; Lin, Jin-Hong; Xiao, Ji-Chang; Gu, Yu-Cheng","Rh-catalyzed allylic C-F bond activation: the stereoselective synthesis of trisubstituted monofluoroalkenes and a mechanism study.","Organic & biomolecular chemistry","2014","12","4","581","588","10.1039/c3ob42038h","","","0.71073","MoKα","","0.0601","0.0442","","","0.135","0.1708","","","","","","1.058","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153573","9.6284","0.0004","11.7266","0.0006","19.1651","0.0009","75.073","0.005","77.631","0.004","87.141","0.004","2042.31","0.17","293.83","0.1","293.83","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 I N O -","- C26 H18 I N O -","- C104 H72 I4 N4 O4 -","4","2","","Wang, Li-Jing; Zhu, Hai-Tao; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic ipso-iodocyclization of N-benzyl-N-(1-naphthyl)propiolamides: synthesis of complex polycyclic lactams.","Organic & biomolecular chemistry","2014","12","4","643","650","10.1039/c3ob42020e","","","0.7107","MoKα","","0.0559","0.0393","","","0.0713","0.081","","","","","","1.035","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153574","10.5172","0.0008","17.5717","0.0006","20.0963","0.0011","90","","90","","90","","3713.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 I N O -","- C22 H16 I N O -","- C176 H128 I8 N8 O8 -","8","1","","Wang, Li-Jing; Zhu, Hai-Tao; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic ipso-iodocyclization of N-benzyl-N-(1-naphthyl)propiolamides: synthesis of complex polycyclic lactams.","Organic & biomolecular chemistry","2014","12","4","643","650","10.1039/c3ob42020e","","","0.7107","MoKα","","0.1465","0.0741","","","0.1273","0.1546","","","","","","1.106","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153575","9.569","0.0002","8.0724","0.0002","17.2904","0.0003","90","","96.872","0.002","90","","1326","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 O8 -","- C28 H38 O8 -","- C56 H76 O16 -","2","0.5","","Buccini, Marco; Punch, Kathryn A.; Kaskow, Belinda; Flematti, Gavin R.; Skelton, Brian W.; Abraham, Lawrence J.; Piggott, Matthew J.","Ethynylbenzenoid metabolites of Antrodia camphorata: synthesis and inhibition of TNF expression.","Organic & biomolecular chemistry","2014","12","7","1100","1113","10.1039/c3ob42333f","","","0.71073","MoKα","","0.0854","0.051","","","0.1371","0.1514","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153576","7.3517","0.0019","18.103","0.005","10.012","0.003","90","","96.47","0.02","90","","1324","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H32 O9 -","- C29 H32 O9 -","- C58 H64 O18 -","2","1","","Buccini, Marco; Punch, Kathryn A.; Kaskow, Belinda; Flematti, Gavin R.; Skelton, Brian W.; Abraham, Lawrence J.; Piggott, Matthew J.","Ethynylbenzenoid metabolites of Antrodia camphorata: synthesis and inhibition of TNF expression.","Organic & biomolecular chemistry","2014","12","7","1100","1113","10.1039/c3ob42333f","","","0.71073","MoKα","","0.1602","0.1458","","","0.3562","0.3683","","","","","","1.412","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153577","8.987","0.002","13.788","0.003","15.365","0.004","90","","103.787","0.005","90","","1849.1","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N4 O4 S2 -","- C20 H12 N4 O4 S2 -","- C80 H48 N16 O16 S8 -","4","1","","Pal, Suman; Hatai, Joydev; Samanta, Mousumi; Shaurya, Alok; Bandyopadhyay, Subhajit","A highly selective chemodosimeter for fast detection and intracellular imaging of Hg(2+) ions based on a dithiocarbamate-isothiocyanate conversion in aqueous ethanol.","Organic & biomolecular chemistry","2014","12","7","1072","1078","10.1039/c3ob42108b","","","0.71073","MoKα","","0.0654","0.0439","","","0.0989","0.1096","","","","","","1.035","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153578","8.9744","0.0011","18.096","0.002","24.959","0.003","97.516","0.003","99.857","0.003","93.864","0.002","3942.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 N4 O5 -","- C46 H46 N4 O5 -","- C184 H184 N16 O20 -","4","2","","Mei, Liang-Yong; Tang, Xiang-Ying; Shi, Min","Rhodium-catalyzed three-component reaction of 3-diazooxindoles with indoles and isatin-derived ketimines: a facile and versatile approach to functionalized 3,3',3''-trisindoles.","Organic & biomolecular chemistry","2014","12","7","1149","1156","10.1039/c3ob42283f","","","0.71073","MoKα","","0.1131","0.067","","","0.1805","0.212","","","","","","1.02","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153579","10.4678","0.001","11.7231","0.0011","11.8283","0.0012","69.655","0.002","86.031","0.002","80.188","0.002","1341","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 F6 N2 -","- C32 H24 F6 N2 -","- C64 H48 F12 N4 -","2","1","","Zhang, Lisi; Li, Yajun; Zhang, Li; Wu, Yongming","Vicinal bis(trifluoroacetimidoyl chloride)s: novel building blocks for the synthesis of benzo-fused eight-membered rings via [2 + 2 + 2] cycloadditions.","Organic & biomolecular chemistry","2014","12","7","1040","1043","10.1039/c3ob42224k","","","0.71073","MoKα","","0.0588","0.0491","","","0.1349","0.1455","","","","","","1.047","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153580","9.567","0.0009","15.054","0.0015","9.7671","0.0013","90","","119.292","0.002","90","","1226.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl2 Mn N5 O -","- C24 H31 Cl2 Mn N5 O -","- C48 H62 Cl4 Mn2 N10 O2 -","2","1","","Ilyashenko, Gennadiy; De Faveri, Giorgio; Follier, Thomas; Al-Safadi, Rawan; Motevalli, Majid; Watkinson, Michael","Catalytic and mechanistic studies into the epoxidation of styrenes using manganese complexes of structurally similar polyamine ligands.","Organic & biomolecular chemistry","2014","12","7","1124","1134","10.1039/c3ob42274g","","","0.71073","MoKα","","0.0392","0.0309","","","0.0524","0.0545","","","","","","0.991","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7153581","9.293","0.003","9.873","0.003","10.265","0.003","90","","98.175","0.016","90","","932.2","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O5 -","- C18 H17 F3 N2 O5 -","- C36 H34 F6 N4 O10 -","2","1","","Liu, Feng-Lei; Chen, Jia-Rong; Feng, Bin; Hu, Xiao-Qiang; Ye, Li-Hua; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantioselective organocatalytic oxa-Michael addition of oximes to β-CF3-β-disubstituted nitroalkenes: efficient synthesis of β-amino-α-trifluoromethyl alcohols.","Organic & biomolecular chemistry","2014","12","7","1057","1060","10.1039/c3ob42329h","","","1.54178","CuKα","","0.2612","0.2246","","","0.5764","0.621","","","","","","2.269","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153582","9.286","0.002","11.358","0.003","11.827","0.003","90","","98.495","0.004","90","","1233.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Acetyl-1-aza-7-phenylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0637","0.0552","","","0.1225","0.1272","","","","","","1.145","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153583","9.1844","0.001","9.6681","0.0011","10.4799","0.0012","81.098","0.002","65.775","0.002","79.753","0.002","831.62","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","8-Acetyl-1-aza-9-(3-oxobutyl)-7-phenylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0932","0.0887","","","0.186","0.1889","","","","","","1.264","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153584","10.5099","0.0015","17.731","0.003","9.3383","0.0013","90","","115.207","0.002","90","","1574.5","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aza-14-oxo-12-phenyltetracyclo[11.4.0.02,11.05,10]heptadeca-1(13),3,5(10),6,8,11-hexaene","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0705","0.0434","","","0.1014","0.1143","","","","","","1.01","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153585","14.886","0.004","8.048","0.002","17.59","0.004","90","","90","","90","","2107.3","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Acetyl-1-aza-2-Methoxy-7-methylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0792","0.0635","","","0.1385","0.1466","","","","","","1.17","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153586","4.9759","0.0015","13.292","0.004","10.625","0.003","90","","90.818","0.005","90","","702.7","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","8-Acetyl-1-aza-2-Methoxy-7-methyl-9-(3-oxobutyl)bicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0552","0.0462","","","0.1194","0.1238","","","","","","1.09","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153587","8.901","0.002","12.206","0.003","22.343","0.006","90","","90","","90","","2427.5","1","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N2 O6 P -","- C25 H25 N2 O6 P -","- C100 H100 N8 O24 P4 -","4","1","","George, Jimil; Sridhar, B.; Reddy, B. V. Subba","First example of quinine-squaramide catalyzed enantioselective addition of diphenyl phosphite to ketimines derived from isatins.","Organic & biomolecular chemistry","2014","12","10","1595","1602","10.1039/c3ob42026d","","","0.71073","MoKα","","0.0755","0.0685","","","0.1684","0.1747","","","","","","1.048","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153588","7.3288","0.0007","19.338","0.002","10.3913","0.0011","90","","103.117","0.001","90","","1434.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1i","","","- C15 H11 B F2 O4 -","- C15 H11 B F2 O4 -","- C60 H44 B4 F8 O16 -","4","1","","Bai, Guifeng; Yu, Changjiang; Cheng, Chi; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Syntheses and photophysical properties of BF2 complexes of curcumin analogues.","Organic & biomolecular chemistry","2014","12","10","1618","1626","10.1039/c3ob42201a","","","0.71073","MoKα","","0.0784","0.0547","","","0.1545","0.1722","","","","","","1.06","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153589","16.957","0.002","11.8082","0.0016","9.9913","0.0014","90","","95.18","0.002","90","","1992.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1j","","","- C23 H19 B F2 O2 -","- C23 H19 B F2 O2 -","- C92 H76 B4 F8 O8 -","4","0.5","","Bai, Guifeng; Yu, Changjiang; Cheng, Chi; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Syntheses and photophysical properties of BF2 complexes of curcumin analogues.","Organic & biomolecular chemistry","2014","12","10","1618","1626","10.1039/c3ob42201a","","","0.71073","MoKα","","0.1147","0.0577","","","0.1736","0.2196","","","","","","1.039","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153590","8.999","0.001","8.057","0.001","14.015","0.004","90","","105.34","0.04","90","","980","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-5-{(S)-[(S)-2,2-Diethyl-1,3-dioxolan-4-yl][(2-meth oxyphenyl)amino]methyl}pyrrolidin-2-one","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C38 H56 N4 O8 -","2","1","","Sartori, Andrea; Dell'amico, Luca; Battistini, Lucia; Curti, Claudio; Rivara, Silvia; Pala, Daniele; Kerry, Philip S.; Pelosi, Giorgio; Casiraghi, Giovanni; Rassu, Gloria; Zanardi, Franca","Synthesis, structure and inhibitory activity of a stereoisomer of oseltamivir carboxylate.","Organic & biomolecular chemistry","2014","12","10","1561","1569","10.1039/c3ob42069h","","","0.71073","MoKα","","0.0665","0.063","","","0.1802","0.1875","","","","","","1.076","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153591","9.3972","0.0002","16.1308","0.0003","19.6022","0.0003","90","","90","","90","","2971.39","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","2","","Nandakumar, Avanashiappan; Kiruthika, Selvarangam E.; Naveen, Kanagaraj; Perumal, Paramasivan Thirumalai","Pd(0)-catalyzed regio- and stereoselective cyclization of alkynes: selective synthesis of (E)-4-(isobenzofuran-1(3H)-ylidene)-1,2,3,4-tetrahydroisoquinolines and aze/oxepinoindoles.","Organic & biomolecular chemistry","2014","12","6","876","880","10.1039/c3ob42314j","","","0.71073","MoKα","","0.0379","0.033","","","0.0813","0.0857","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153592","34.635","0.002","8.5799","0.0004","27.476","0.001","90","","92.652","0.004","90","","8156.2","0.7","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C78 H80 Cl4 F12 N4 O4 S4 Zn -","- C78 H80 Cl4 F12 N4 O4 S4 Zn -","- C312 H320 Cl16 F48 N16 O16 S16 Zn4 -","4","0.5","","Ordronneau, Lucie; Boixel, Julien; Aubert, Vincent; Vidal, Matias S.; Moya, Sergio; Aguirre, Pedro; Toupet, Loic; Williams, J. A. Gareth; Le Bozec, Hubert; Guerchais, Véronique","New fluorescent bis-dithienylethene (DTE)-based bipyridines as reverse interrupters: single vs. double photochromism.","Organic & biomolecular chemistry","2014","12","6","979","992","10.1039/c3ob42119h","","","0.71073","MoKα","","0.2208","0.0682","","","0.1741","0.2398","","","","","","0.669","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153593","10.8607","0.0014","11.4179","0.0014","15.2714","0.0019","83.181","0.003","80.292","0.003","61.859","0.002","1644.3","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","2","","Poudel, Tej Narayan; Lee, Yong Rok","An advanced and novel one-pot synthetic method for diverse benzo[c]chromen-6-ones by transition-metal free mild base-promoted domino reactions of substituted 2-hydroxychalcones with β-ketoesters and its application to polysubstituted terphenyls.","Organic & biomolecular chemistry","2014","12","6","919","930","10.1039/c3ob41800f","","","0.71073","MoKα","","0.1161","0.0642","","","0.1559","0.2354","","","","","","1.03","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153594","59.25","0.011","5.953","0.002","22.55","0.004","90","","90.93","0.01","90","","7953","3","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N -","- C17 H17 N -","- C408 H408 N24 -","24","3","","Thomas, Claudia; Kataeva, Olga; Schmidt, Arndt W.; Knölker, Hans-Joachim","Regioselective prenylation of bromocarbazoles by palladium(0)-catalysed cross coupling - synthesis of O-methylsiamenol, O-methylmicromeline and carquinostatin A.","Organic & biomolecular chemistry","2014","12","6","872","875","10.1039/c3ob42297f","","","0.71073","MoKα","","0.2163","0.0884","","","0.2424","0.29","","","","","","0.918","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7153595","9.5236","0.0002","14.224","0.0003","16.822","0.0004","109.168","0.002","92.395","0.002","100.881","0.002","2100.47","0.09","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H56.5 N7 O9 S -","- C36 H56.5 N7 O9 S -","- C72 H113 N14 O18 S2 -","2","2","","De Poli, Matteo; Clayden, Jonathan","Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2014","12","5","836","843","10.1039/c3ob42167h","","","1.54178","CuKα","","0.0656","0.0475","","","0.1075","0.1164","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153596","9.5005","0.0002","14.2234","0.0003","15.3975","0.0003","89.612","0.002","84.675","0.001","78.797","0.002","2032.06","0.07","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H53 N7 O9 S -","- C34 H53 N7 O9 S -","- C68 H106 N14 O18 S2 -","2","2","","De Poli, Matteo; Clayden, Jonathan","Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2014","12","5","836","843","10.1039/c3ob42167h","","","1.54178","CuKα","","0.0568","0.046","","","0.1234","0.1443","","","","","","1.049","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153597","10.233","0.004","10.817","0.004","10.864","0.004","62.661","0.004","78.149","0.004","89.945","0.004","1039.4","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 N2 O -","- C29 H20 N2 O -","- C58 H40 N4 O2 -","2","1","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0583","0.0451","","","0.12","0.1326","","","","","","1.005","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153598","13.242","0.003","13.337","0.003","16.05","0.003","67.201","0.003","81.584","0.004","60.973","0.003","2281.8","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","2","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0476","0.0402","","","0.1052","0.1125","","","","","","1.027","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153599","13.5728","0.0005","18.3397","0.0007","14.2808","0.0005","90","","90","","90","","3554.8","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C192 H144 N16 O8 -","8","2","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0704","0.0523","","","0.1384","0.1551","","","","","","1.009","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153600","16.9067","0.001","7.6918","0.0004","13.0515","0.0013","90","","101.576","0.007","90","","1662.7","0.2","293","2","293","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C18 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin","New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide.","Organic & biomolecular chemistry","2014","12","5","732","736","10.1039/c3ob42183j","","","0.7107","MoKα","","0.0613","0.0492","","","0.1121","0.1211","","","","","","1.127","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153601","8.85","0.003","12.001","0.004","12.727","0.004","90","","90","","90","","1351.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin","New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide.","Organic & biomolecular chemistry","2014","12","5","732","736","10.1039/c3ob42183j","","","0.71073","MoKα","","0.0703","0.0488","","","0.1148","0.1309","","","","","","0.977","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153602","9.24936","0.00019","10.4306","0.0002","9.62893","0.00018","90","","99.3592","0.0013","90","","916.6","0.03","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N2 O4 -","- C20 H17 Br N2 O4 -","- C40 H34 Br2 N4 O8 -","2","1","","Kano, Taichi; Takechi, Ryosuke; Kobayashi, Ryohei; Maruoka, Keiji","Chiral Brønsted acid-catalyzed enantioselective addition of indoles to ketimines.","Organic & biomolecular chemistry","2014","12","5","724","727","10.1039/c3ob42190b","","","1.54187","CuKα","","","0.0535","","","","0.1429","","","","","","0.871","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153603","9.5871","0.0016","10.4916","0.0018","14.112","0.002","93.549","0.009","109.31","0.009","95.346","0.01","1327.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Indoles","","","- C16 H12 F3 N -","- C16 H12 F3 N -","- C64 H48 F12 N4 -","4","2","","Das, Bimolendu; Kundu, Priyanka; Chowdhury, Chinmay","Facile synthesis of 2-arylmethylindoles and 2-vinylic indoles through palladium-catalyzed heteroannulations of 2-(2-propynyl)aniline and 2-(2-propynyl)tosylanilide.","Organic & biomolecular chemistry","2014","12","5","741","748","10.1039/c3ob41961d","","","0.71073","MoKα","","0.0735","0.0579","","","0.1732","0.1944","","","","","","1.155","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153604","9.6704","0.0005","9.8238","0.0006","38.263","0.002","90","","90","","90","","3635","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C34 H46 Br N5 O6 -","- C34 H46 Br N5 O6 -","- C136 H184 Br4 N20 O24 -","4","1","","Nair, Roshna V.; Kotmale, Amol S.; Dhokale, Snehal A.; Gawade, Rupesh L.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Formation of a pseudo-β-hairpin motif utilizing the Ant-Pro reverse turn: consequences of stereochemical reordering.","Organic & biomolecular chemistry","2014","12","5","774","782","10.1039/c3ob42016g","","","0.71073","MoKα","","0.0593","0.0447","","","0.1143","0.1233","","","","","","1.022","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153605","7.8694","0.0012","10.0748","0.0012","13.8855","0.0009","101.946","0.008","92.094","0.008","105.143","0.012","1034.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C52 H52 N4 O2 -","2","1","","Pereshivko, Olga P.; Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V.","Unexpected regio- and chemoselectivity of cationic gold-catalyzed cycloisomerizations of propargylureas: access to tetrasubstituted 3,4-dihydropyrimidin-2(1H)-ones.","Organic & biomolecular chemistry","2014","12","11","1741","1750","10.1039/c3ob42221f","","","0.7107","MoKα","","0.0481","0.0427","","","0.112","0.1161","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153606","9.963","0.0009","10.2126","0.0005","21.0844","0.0018","90","","97.452","0.01","90","","2127.2","0.3","100.5","0.9","100.5","0.9","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Pereshivko, Olga P.; Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V.","Unexpected regio- and chemoselectivity of cationic gold-catalyzed cycloisomerizations of propargylureas: access to tetrasubstituted 3,4-dihydropyrimidin-2(1H)-ones.","Organic & biomolecular chemistry","2014","12","11","1741","1750","10.1039/c3ob42221f","","","0.7107","MoKα","","0.0583","0.0458","","","0.1051","0.1122","","","","","","1.08","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153607","8.3806","0.0003","11.1445","0.0004","13.0469","0.0005","107.1","0.003","90.343","0.003","93.898","0.003","1161.56","0.08","278","2","278","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C48 H42 N2 O6 S2 -","2","1","","Jalal, Swapnadeep; Bera, Krishnendu; Sarkar, Soumen; Paul, Kartick; Jana, Umasish","Efficient synthesis of functionalized dihydroquinolines, quinolines and dihydrobenzo[b]azepine via an iron(iii) chloride-catalyzed intramolecular alkyne-carbonyl metathesis of alkyne tethered 2-amino benzaldehyde/acetophenone derivatives.","Organic & biomolecular chemistry","2014","12","11","1759","1770","10.1039/c3ob42292e","","","0.71073","MoKα","","0.0922","0.0504","","","0.1173","0.129","","","","","","0.999","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153608","9.124","0.0005","23.4937","0.0012","12.015","0.0007","90","","102.275","0.008","90","","2516.6","0.3","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C50 H36 B2 F12 N4 -","- C50 H36 B2 F12 N4 -","- C100 H72 B4 F24 N8 -","2","0.5","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.0828","0.0692","","","0.1878","0.1972","","","","","","1.021","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153609","16.7527","0.0011","15.1798","0.0011","23.1208","0.0015","90","","117.527","0.008","90","","5214.1","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 B2 F12 N4 O2 -","- C58 H52 B2 F12 N4 O2 -","- C232 H208 B8 F48 N16 O8 -","4","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1939","0.0894","","","0.1935","0.2305","","","","","","1.138","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153610","11.4237","0.0003","40.4906","0.001","21.6705","0.0006","90","","100.521","0.007","90","","9855.2","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 B2 F12 N4 -","- C48 H32 B2 F12 N4 -","- C384 H256 B16 F96 N32 -","8","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1507","0.0739","","","0.1926","0.2183","","","","","","1.056","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153611","10.04744","0.00018","17.2665","0.0004","18.6317","0.0004","112.428","0.001","92.3032","0.0012","104.987","0.0009","2851.07","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H52 B2 Cl2 F4 N8 -","- C60 H52 B2 Cl2 F4 N8 -","- C120 H104 B4 Cl4 F8 N16 -","2","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1195","0.078","","","0.1745","0.1963","","","","","","1.056","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153612","12.3328","0.0004","26.4067","0.0007","19.8528","0.0006","90","","117.109","0.0018","90","","5755.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 B2 F4 N8 -","- C54 H40 B2 F4 N8 -","- C216 H160 B8 F16 N32 -","4","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.0748","0.0568","","","0.1196","0.1263","","","","","","1.021","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153613","9.263","0.002","10.294","0.002","13.643","0.003","86.448","0.007","75.238","0.007","89.471","0.007","1255.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl N3 Ni O3 -","- C28 H28 Cl N3 Ni O3 -","- C56 H56 Cl2 N6 Ni2 O6 -","2","1","","Bergagnini, Mackenzie; Fukushi, Kazunobu; Han, Jianlin; Shibata, Norio; Roussel, Christian; Ellis, Trevor K.; Aceña, José Luis; Soloshonok, Vadim A.","NH-type of chiral Ni(ii) complexes of glycine Schiff base: design, structural evaluation, reactivity and synthetic applications.","Organic & biomolecular chemistry","2014","12","8","1278","1291","10.1039/c3ob41959b","","","0.71073","MoKα","","0.0357","0.0321","","","0.0792","0.0813","","","","","","1.006","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153614","13.4815","0.0004","8.2127","0.0003","28.9529","0.0009","90","","90","","90","","3205.65","0.18","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H N O S -","- C3.99695 H3.04457 O0.380952 S0.187429 -","- C167.872 H127.872 O16 S7.872 -","42","5.25","","Sivaraman, Mahalingam; Perumal, Paramasivan T.","Synthesis of tetracyclic chromenones via platinum(ii) chloride catalysed cascade cyclization of enediyne-enones.","Organic & biomolecular chemistry","2014","12","8","1318","1327","10.1039/c3ob41911h","","","0.71073","MoKα","","0.0456","0.0357","","","0.0818","0.0894","","","","","","1.089","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153615","7.8303","0.0009","8.7435","0.001","10.6132","0.0011","89.682","0.009","88.864","0.009","67.949","0.011","673.34","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 N2 O0 -","- C17 H12 N2 -","- C34 H24 N4 -","2","1","","Lin, Shaoxia; Li, Mengru; Dong, Zhiyong; Liang, Fushun; Zhang, Jingping","Hypervalent iodine(iii)-mediated cyclopropa(e)nation of alkenes/alkynes under mild conditions.","Organic & biomolecular chemistry","2014","12","8","1341","1350","10.1039/c3ob42123f","","","0.71073","MoKα","","0.0908","0.053","","","0.1165","0.139","","","","","","1.041","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153616","11.3178","0.0006","15.0624","0.0007","8.1854","0.0004","90","","97.093","0.005","90","","1384.71","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Lin, Shaoxia; Li, Mengru; Dong, Zhiyong; Liang, Fushun; Zhang, Jingping","Hypervalent iodine(iii)-mediated cyclopropa(e)nation of alkenes/alkynes under mild conditions.","Organic & biomolecular chemistry","2014","12","8","1341","1350","10.1039/c3ob42123f","","","0.71073","MoKα","","0.058","0.0427","","","0.0966","0.1057","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153617","9.2741","0.001","38.324","0.004","5.081","0.0005","90","","90","","90","","1805.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H16 Br O4 P -","- C19 H16 Br O4 P -","- C76 H64 Br4 O16 P4 -","4","1","","Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P.","Organocatalytic enantioselective hydrophosphonylation of aldehydes.","Organic & biomolecular chemistry","2014","12","8","1258","1264","10.1039/c3ob42403k","","","0.71073","MoKα","","0.1159","0.0599","","","0.1352","0.1583","","","","","","1.038","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153618","6.2873","0.0011","12.402","0.002","22.054","0.004","90","","90","","90","","1719.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl O4 P -","- C19 H16 Cl O4 P -","- C76 H64 Cl4 O16 P4 -","4","1","","Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P.","Organocatalytic enantioselective hydrophosphonylation of aldehydes.","Organic & biomolecular chemistry","2014","12","8","1258","1264","10.1039/c3ob42403k","","","0.71073","MoKα","","0.0355","0.0315","","","0.0839","0.0883","","","","","","1.047","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153619","9.29","0.0005","16.2681","0.001","16.8894","0.001","90","","90","","90","","2552.5","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N3 O2 Se -","- C28 H29 N3 O2 Se -","- C112 H116 N12 O8 Se4 -","4","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.0361","0.0275","","","0.059","0.0616","","","","","","1.052","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153620","9.5877","0.0015","15.441","0.002","10.176","0.0017","90","","112.072","0.009","90","","1396.1","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 N3 O4 Se -","- C29 H35 N3 O4 Se -","- C58 H70 N6 O8 Se2 -","2","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.1002","0.0441","","","0.0716","0.0801","","","","","","0.921","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153621","10.4368","0.0002","10.9926","0.0002","11.5312","0.0002","90","","102.807","0.001","90","","1290.03","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O Se -","- C15 H13 N O Se -","- C60 H52 N4 O4 Se4 -","4","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.0395","0.0271","","","0.0693","0.0749","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153622","8.0403","0.0013","23.243","0.004","9.3718","0.0015","90","","110.49","0.004","90","","1640.6","0.5","147","2","147","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Dimitrijević, Elena; Cusimano, Madeline; Taylor, Mark S.","Synthesis of benzannulated heterocycles by twofold Suzuki-Miyaura couplings of cyclic diarylborinic acids.","Organic & biomolecular chemistry","2014","12","9","1391","1394","10.1039/c3ob42065e","","","0.71073","MoKα","","0.0718","0.0577","","","0.127","0.1336","","","","","","1.126","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153623","11.2914","0.0014","3.7335","0.0004","21.924","0.003","90","","96.597","0.007","90","","918.1","0.2","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 -","- C11 H8 N4 -","- C44 H32 N16 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0999","0.0533","","","0.1134","0.1374","","","","","","0.987","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153624","6.4535","0.0005","7.2728","0.0005","10.4085","0.0006","90","","105.814","0.003","90","","470.03","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H8 N2 S -","- C11 H8 N2 S -","- C22 H16 N4 S2 -","2","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0481","0.0414","","","0.0857","0.0893","","","","","","1.03","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153625","8.0045","0.0001","15.6507","0.0003","9.0232","0.0002","90","","100.439","0.001","90","","1111.68","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0247","0.0215","","","0.0507","0.0522","","","","","","1.029","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153626","9.9051","0.0006","7.572","0.0005","14.9735","0.0009","90","","100.491","0.003","90","","1104.26","0.12","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0299","0.0257","","","0.0627","0.0649","","","","","","1.026","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153627","12.1661","0.0007","7.275","0.0004","14.9877","0.0008","90","","111.517","0.0017","90","","1234.09","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H10 I N3 O -","- C13 H10 I N3 O -","- C52 H40 I4 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0336","0.0281","","","0.0629","0.0653","","","","","","1.054","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153628","6.6989","0.001","8.5117","0.0012","19.409","0.003","90","","96.629","0.005","90","","1099.3","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 I N3 S -","- C10 H6 I N3 S -","- C40 H24 I4 N12 S4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0492","0.0392","","","0.1004","0.1053","","","","","","1.108","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153629","4.4884","0.0002","12.4932","0.0005","22.191","0.001","90","","90","","90","","1244.35","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 I2 N3 -","- C12 H7 I2 N3 -","- C48 H28 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.033","0.0314","","","0.0747","0.0756","","","","","","1.039","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153630","4.0838","0.0004","14.2493","0.0013","23.294","0.002","90","","90","","90","","1355.5","0.2","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C12 H6 Cl I2 N3 -","- C12 H6 Cl I2 N3 -","- C48 H24 Cl4 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0529","0.0429","","","0.0796","0.0844","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153631","7.1169","0.0003","8.2892","0.0003","12.3378","0.0005","77.399","0.002","74.075","0.002","73.384","0.002","662.94","0.05","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H6 Cl I2 N3 -","- C12 H6 Cl I2 N3 -","- C24 H12 Cl2 I4 N6 -","2","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0695","0.0416","","","0.0789","0.0884","","","","","","1.068","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153632","13.3","0.003","5.2093","0.0011","21.672","0.006","90","","95.208","0.008","90","","1495.3","0.6","250","2","250","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H6 F3 I2 N3 -","- C13 H6 F3 I2 N3 -","- C52 H24 F12 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0436","0.0327","","","0.0706","0.0756","","","","","","1.032","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153633","8.2536","0.0004","15.6664","0.0007","11.6615","0.0005","90","","108.822","0.002","90","","1427.25","0.11","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 I2 N3 O -","- C13 H9 I2 N3 O -","- C52 H36 I8 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0419","0.0348","","","0.0783","0.0808","","","","","","1.123","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153634","4.2004","0.0002","20.7217","0.0014","15.9102","0.0011","90","","97.125","0.003","90","","1374.12","0.15","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 I2 N3 O -","- C13 H9 I2 N3 O -","- C52 H36 I8 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0403","0.0356","","","0.108","0.1104","","","","","","1.217","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153635","4.104","0.0001","22.5488","0.0007","25.9538","0.001","90","","90","","90","","2401.77","0.13","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C10 H5 I2 N3 S -","- C10 H5 I2 N3 S -","- C80 H40 I16 N24 S8 -","8","2","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0466","0.0441","","","0.1001","0.1015","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153636","16.5855","0.0003","15.6566","0.0003","14.3263","0.001","90","","118.686","0.008","90","","3263.5","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O6 Pd2 -","- C15 H14 N2 O3 Pd -","- C120 H112 N16 O24 Pd8 -","8","1","","Cheng, Tao; Yin, Weiyu; Zhang, Yi; Zhang, Yingnan; Huang, Yong","Palladium catalyzed acetoxylation of benzylic C-H bonds using a bidentate picolinamide directing group.","Organic & biomolecular chemistry","2014","12","9","1405","1411","10.1039/c3ob42196a","","","1.54178","CuKα","","0.0982","0.0896","","","0.3222","0.3543","","","","","","1.751","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153637","3.9805","0.0012","21.132","0.007","16.71","0.005","90","","96.391","0.004","90","","1396.8","0.8","100","2","100","2","","","","","","","Cally J E Haynes","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O S -","- C14 H20 N2 O S -","- C56 H80 N8 O4 S4 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0459","0.0393","","","0.0834","0.0871","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153638","9.6713","0.0007","12.217","0.0009","14.0933","0.0011","95.844","0.007","92.324","0.007","104.975","0.007","1596.4","0.2","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O S -","- C15 H19 F3 N2 O S -","- C60 H76 F12 N8 O4 S4 -","4","2","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0626","0.0435","","","0.1086","0.1175","","","","","","1.039","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153639","18.395","0.008","8.682","0.004","9.855","0.005","90","","98.783","0.006","90","","1555.4","1.3","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C60 H88 N8 O8 S4 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.081","0.0614","","","0.1388","0.1513","","","","","","1.003","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153640","5.166","0.003","34.07","0.02","7.566","0.005","90","","101.193","0.01","90","","1306.3","1.4","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C56 H80 N8 O8 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0708","0.051","","","0.0988","0.1083","","","","","","1.038","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153641","12.5","0.0004","12.661","0.0003","22.056","0.0007","90","","90","","90","","3490.64","0.18","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C15 H25 B O4 Si -","- C15 H25 B O4 Si -","- C120 H200 B8 O32 Si8 -","8","1","","Goggins, Sean; Rosevere, Eleanor; Bellini, Clément; Allen, Joseph C.; Marsh, Barrie J.; Mahon, Mary F.; Frost, Christopher G.","Silyl-protected dioxaborinanes: application in the Suzuki cross-coupling reaction.","Organic & biomolecular chemistry","2014","12","1","47","52","10.1039/c3ob42099j","","","0.71073","MoKα","","0.1504","0.0573","","","0.1244","0.1581","","","","","","0.979","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153642","15.373","0.0007","14.1912","0.0004","16.2612","0.0007","90","","117.831","0.006","90","","3137.2","0.3","150.15","","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-((6-Ethynyl-7-methyl-7H-purin-2-yl)amino)phenyl)acetamide","","- C16.5 H16 N6 O1.5 -","- C16.5 H16 N6 O1.5 -","- C132 H128 N48 O12 -","8","2","","Lebraud, Honorine; Coxon, Christopher R.; Archard, Victoria S.; Bawn, Carlo M.; Carbain, Benoit; Matheson, Christopher J.; Turner, David M.; Cano, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Baisch, Ulrich; Harrington, Ross W.; Golding, Bernard T.","Model system for irreversible inhibition of Nek2: thiol addition to ethynylpurines and related substituted heterocycles.","Organic & biomolecular chemistry","2014","12","1","141","148","10.1039/c3ob41806e","","","0.7107","MoKα","","0.0569","0.0436","","","0.1046","0.1134","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153643","20.838","0.004","4.7845","0.0009","14.873","0.004","90","","105.57","0.02","90","","1428.4","0.6","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-((6-Ethynyl-9-methyl-9H-purin-2-yl)amino)phenyl)acetamide","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C64 H56 N24 O4 -","4","1","","Lebraud, Honorine; Coxon, Christopher R.; Archard, Victoria S.; Bawn, Carlo M.; Carbain, Benoit; Matheson, Christopher J.; Turner, David M.; Cano, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Baisch, Ulrich; Harrington, Ross W.; Golding, Bernard T.","Model system for irreversible inhibition of Nek2: thiol addition to ethynylpurines and related substituted heterocycles.","Organic & biomolecular chemistry","2014","12","1","141","148","10.1039/c3ob41806e","","","1.5418","CuKα","","0.0947","0.0559","","","0.136","0.1575","","","","","","1.087","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153644","11.5778","0.001","19.919","0.002","15.6456","0.0014","90","","90","","90","","3608.2","0.6","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H32 Br2 Cl2 O4 -","- C43 H32 Br2 Cl2 O4 -","- C172 H128 Br8 Cl8 O16 -","4","1","","Fan, Xing-Wen; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade reaction of 2-aroylvinylcinnamaldehydes with 2-aroylvinylchalcones: rapid assembly of six contiguous stereogenic centers with high diastereoselectivity.","Organic & biomolecular chemistry","2014","12","1","123","131","10.1039/c3ob41656a","","","0.71075","MoKα","","0.038","0.0264","","","0.0508","0.0531","","","","","","0.875","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153645","14.088","0.0014","25.453","0.002","9.816","0.0008","90","","110.36","0.005","90","","3299.9","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Br2 O4 -","- C42 H30 Br2 O4 -","- C168 H120 Br8 O16 -","4","1","","Fan, Xing-Wen; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade reaction of 2-aroylvinylcinnamaldehydes with 2-aroylvinylchalcones: rapid assembly of six contiguous stereogenic centers with high diastereoselectivity.","Organic & biomolecular chemistry","2014","12","1","123","131","10.1039/c3ob41656a","","","0.71075","MoKα","","0.0688","0.0552","","","0.1331","0.1414","","","","","","1.077","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153646","12.46","0.005","7.632","0.003","17.002","0.006","90","","91.153","0.006","90","","1616.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 I N O2 S -","- C16 H16 I N O2 S -","- C64 H64 I4 N4 O8 S4 -","4","1","","Li, Yuewen; Ding, Qiuping; Qiu, Guanyinsheng; Wu, Jie","Synthesis of benzosultams via an intramolecular sp2 C-H bond amination reaction of o-arylbenzenesulfonamides under metal-free conditions.","Organic & biomolecular chemistry","2014","12","1","149","155","10.1039/c3ob41810c","","","0.71073","MoKα","","0.0804","0.054","","","0.1569","0.1747","","","","","","1.053","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153647","9.396","0.004","17.34","0.006","9.934","0.004","90","","114.283","0.004","90","","1475.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Li, Yuewen; Ding, Qiuping; Qiu, Guanyinsheng; Wu, Jie","Synthesis of benzosultams via an intramolecular sp2 C-H bond amination reaction of o-arylbenzenesulfonamides under metal-free conditions.","Organic & biomolecular chemistry","2014","12","1","149","155","10.1039/c3ob41810c","","","0.71073","MoKα","","0.0804","0.0687","","","0.1731","0.1882","","","","","","1.032","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153648","9.3648","0.0015","6.0541","0.001","12.676","0.002","90","","90.287","0.006","90","","718.7","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C34 H30 Br2 O4 -","2","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric chroman synthesis via an intramolecular oxy-Michael addition by bifunctional organocatalysts.","Organic & biomolecular chemistry","2014","12","1","119","122","10.1039/c3ob41938j","","","0.71075","MoKα","","","0.0697","","","","0.1151","","","","","","0.971","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153649","10.7329","0.0004","16.5196","0.0006","19.3778","0.0008","90","","101.241","0.001","90","","3369.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","gamma-lactam","","","- C39 H31 N2 O7 P S -","- C39 H31 N2 O7 P S -","- C156 H124 N8 O28 P4 S4 -","4","1","","Lin, Yu-Wei; Deng, Jie-Cheng; Hsieh, You-Zung; Chuang, Shih-Ching","One-pot formation of fluorescent γ-lactams having an α-phosphorus ylide moiety through three-component α(δ')-Michael reactions of phosphines with an enyne and N-tosyl aldimines.","Organic & biomolecular chemistry","2014","12","1","162","170","10.1039/c3ob41811a","","","0.71073","MoKα","","0.0543","0.0365","","","0.0849","0.0934","","","","","","1.009","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153650","10.2628","0.0016","14.104","0.002","15.146","0.002","85.999","0.003","73.595","0.003","79.998","0.003","2070.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","gamma-lactam","","","- C40 H28 Cl7 N2 O7 P S -","- C40 H28 Cl7 N2 O7 P S -","- C80 H56 Cl14 N4 O14 P2 S2 -","2","1","","Lin, Yu-Wei; Deng, Jie-Cheng; Hsieh, You-Zung; Chuang, Shih-Ching","One-pot formation of fluorescent γ-lactams having an α-phosphorus ylide moiety through three-component α(δ')-Michael reactions of phosphines with an enyne and N-tosyl aldimines.","Organic & biomolecular chemistry","2014","12","1","162","170","10.1039/c3ob41811a","","","0.71073","MoKα","","0.1074","0.0726","","","0.1825","0.2043","","","","","","1.061","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153651","6.2093","0.0004","8.3668","0.0005","11.145","0.0005","74.54","0.003","89.252","0.003","68.175","0.003","515.65","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O -","- C14.0008 H18.0008 O1.0001 -","- C28.0016 H36.0016 O2.0002 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0882","0.0518","","","0.1213","0.1385","","","","","","1.036","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153652","8.8558","0.0002","12.1899","0.0003","12.9536","0.0003","90","","90","","90","","1398.36","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl4 O -","- C14 H14 Cl4 O -","- C56 H56 Cl16 O4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0352","0.0302","","","0.0692","0.072","","","","","","1.065","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153653","6.5349","0.0002","8.802","0.0004","11.7531","0.0005","89.29","0.002","85.351","0.003","89.283","0.003","673.72","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Cl4 O -","- C14 H14 Cl4 O -","- C28 H28 Cl8 O2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0404","0.0326","","","0.0775","0.082","","","","","","1.041","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153654","14.7642","0.0007","7.4391","0.0003","14.5856","0.0006","90","","91.061","0.002","90","","1601.7","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 Cl4 -","- C14 H14 Br2 Cl4 -","- C56 H56 Br8 Cl16 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0647","0.0366","","","0.0819","0.0903","","","","","","1.028","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153655","8.5158","0.0003","12.1809","0.0005","14.7928","0.0005","90","","98.852","0.003","90","","1516.18","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 Cl4 -","- C14 H14 Br2 Cl4 -","- C56 H56 Br8 Cl16 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0487","0.0424","","","0.11","0.1162","","","","","","1.025","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153656","13.033","0.001","7.7467","0.0006","12.4282","0.0009","90","","101.998","0.007","90","","1227.37","0.16","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br2 -","- C14 H18 Br2 -","- C56 H72 Br8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0553","0.039","","","0.0893","0.1006","","","","","","1.051","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153657","14.3718","0.0004","6.4978","0.0002","12.7356","0.0004","90","","94.731","0.002","90","","1185.26","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br2 -","- C14 H18 Br2 -","- C56 H72 Br8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0334","0.0233","","","0.0491","0.052","","","","","","1.054","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153658","10.2431","0.0009","14.0654","0.0001","14.0892","0.0002","93.793","0.005","90.314","0.008","93.311","0.008","2021.96","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H34 Co2 F2 N6 O12 -","- C41 H34 Co2 F2 N6 O12 -","- C82 H68 Co4 F4 N12 O24 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.1328","0.0773","","","0.1912","0.229","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153659","7.0652","0.0008","8.2217","0.0009","13.0265","0.0014","92.9","0.003","90.127","0.003","114.75","0.003","686.07","0.13","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 Cl4 -","- C14 H14 Cl4 -","- C28 H28 Cl8 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0615","0.036","","","0.0685","0.075","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153660","7.0286","0.0004","8.7167","0.0005","15.6853","0.0009","83.186","0.002","87.4669","0.0019","66.254","0.0016","873.4","0.09","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 Cl4 -","- C20 H20 Cl4 -","- C40 H40 Cl8 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0354","0.0299","","","0.0744","0.0766","","","","","","1.116","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153661","7.3702","0.0002","7.6424","0.0003","9.3429","0.0003","95.852","0.002","105.352","0.001","93.753","0.001","502.48","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","VA_23","3-Bromo-4-(methoxycarbonyl)-2-(2-nitroethyl)pyrrole","","- C8 H9 Br N2 O4 -","- C8 H9 Br N2 O4 -","- C16 H18 Br2 N4 O8 -","2","1","","Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.","Hydrophilic tetracarboxy bacteriochlorins for photonics applications.","Organic & biomolecular chemistry","2014","12","1","86","103","10.1039/c3ob41791c","","","0.71073","MoKα","","0.0222","0.0216","","","0.0609","0.0612","","","","","","1.08","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153662","9.5461","0.0004","9.6709","0.0004","15.4442","0.0007","90","","90","","90","","1425.8","0.11","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","VAA-48","3-Bromo-2-(2-nitroethyl)-N-tosylpyrrole","","- C13 H13 Br N2 O4 S -","- C13 H13 Br N2 O4 S -","- C52 H52 Br4 N8 O16 S4 -","4","1","","Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.","Hydrophilic tetracarboxy bacteriochlorins for photonics applications.","Organic & biomolecular chemistry","2014","12","1","86","103","10.1039/c3ob41791c","","","0.71073","MoKα","","0.0221","0.0192","","","0.0484","0.0491","","","","","","1.057","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153663","9.5255","0.0003","10.2017","0.0004","15.6299","0.0004","96.696","0.001","95.281","0.002","117.086","0.002","1324.84","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 F6 Fe N4 O6 S2 -","- C22 H26 F6 Fe N4 O6 S2 -","- C44 H52 F12 Fe2 N8 O12 S4 -","2","1","","Yazerski, Vital A.; Spannring, Peter; Gatineau, David; Woerde, Charlotte H. M.; Wieclawska, Sara M.; Lutz, Martin; Kleijn, Henk; Klein Gebbink, Robertus J. M.","Making Fe(BPBP)-catalyzed C-H and C[double bond, length as m-dash]C oxidations more affordable.","Organic & biomolecular chemistry","2014","12","13","2062","2070","10.1039/c3ob42249f","","","0.71073","MoKα","","0.0265","0.0245","","","0.0622","0.0633","","","","","","1.047","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153664","13.0481","0.0005","13.2273","0.0005","23.4746","0.0008","102.934","0.002","93.491","0.002","100.629","0.003","3858.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H118 N12 O43 S6 -","- C44 H118 N12 O43 S6 -","- C88 H236 N24 O86 S12 -","2","1","","Rhaman, Md Mhahabubur; Ahmed, Lucky; Wang, Jing; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir","Encapsulation and selectivity of sulfate with a furan-based hexaazamacrocyclic receptor in water.","Organic & biomolecular chemistry","2014","12","13","2045","2048","10.1039/c4ob00116h","","","0.71073","MoKα","","0.072","0.0502","","","0.1278","0.144","","","","","","1.004","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153665","5.9357","0.0012","8.96","0.003","20.683","0.006","90","","90","","90","","1100","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl2 I O3 S -","- C6 H7 Cl2 I O3 S -","- C24 H28 Cl8 I4 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","0.71073","MoKα","","0.0831","0.0715","","","0.184","0.1976","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153666","7.4192","0.0004","7.6708","0.0004","8.1477","0.0005","90","","101.304","0.005","90","","454.7","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl2 -","- C10 H10 Cl2 -","- C20 H20 Cl4 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","0.71073","MoKα","","0.0368","0.0297","","","0.0578","0.0593","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153667","6.6774","0.0001","10.9657","0.0002","11.0176","0.0002","90","","90","","90","","806.73","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl O4 S -","- C6 H7 Cl O4 S -","- C24 H28 Cl4 O16 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","1.5418","CuKα","","0.0226","0.0225","","","0.0603","0.0603","","","","","","1.081","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153668","25.257","0.013","7.226","0.004","14.807","0.008","90","","106.999","0.006","90","","2584","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C120 H120 N24 -","8","2","","Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen","Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles.","Organic & biomolecular chemistry","2014","12","13","2099","2107","10.1039/c3ob42445f","","","0.71073","MoKα","","0.0849","0.0519","","","0.1307","0.1477","","","","","","1.045","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153669","5.784","0.003","16.411","0.009","13.211","0.007","90","","92.703","0.007","90","","1252.6","1.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C60 H60 N12 -","4","1","","Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen","Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles.","Organic & biomolecular chemistry","2014","12","13","2099","2107","10.1039/c3ob42445f","","","0.71073","MoKα","","0.0804","0.0484","","","0.1084","0.1257","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153670","12.698","0.009","15.704","0.011","15.785","0.019","108.667","0.014","96.252","0.014","111.779","0.01","2675","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 Br2 O -","- C13 H14 Br2 O -","- C104 H112 Br16 O8 -","8","4","","Yang, Dingqiao; Liang, Ni","Platinum-catalyzed anti-stereocontrolled ring-opening of oxabicyclic alkenes with Grignard reagents.","Organic & biomolecular chemistry","2014","12","13","2080","2086","10.1039/c3ob42199f","","","0.71073","MoKα","","0.2821","0.0789","","","0.1502","0.2223","","","","","","0.89","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153671","10.499","0.016","11.042","0.016","16.3","0.02","90","","90","","90","","1890","5","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F3 N4 O S2 -","- C16 H17 F3 N4 O S2 -","- C64 H68 F12 N16 O4 S8 -","4","1","","Mei, Haibo; Xiong, Yiwen; Xie, Chen; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Concise and scalable asymmetric synthesis of 5-(1-amino-2,2,2-trifluoroethyl)thiazolo[3,2-b][1,2,4]triazoles.","Organic & biomolecular chemistry","2014","12","13","2108","2113","10.1039/c3ob42348d","","","0.71073","MoKα","","0.0756","0.0653","","","0.1634","0.1708","","","","","","1.024","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7153672","5.8798","0.0003","10.8995","0.0004","26.8261","0.0013","90","","95.626","0.005","90","","1710.92","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Wang, Xu; Pan, Ying-Ming; Huang, Xiao-Chao; Mao, Zhong-Yuan; Wang, Heng-Shan","A novel methodology for synthesis of dihydropyrazole derivatives as potential anticancer agents.","Organic & biomolecular chemistry","2014","12","13","2028","2032","10.1039/c3ob42432d","","","0.7107","MoKα","","0.1049","0.0599","","","0.1298","0.1574","","","","","","1.034","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153673","6.2718","0.0019","18.621","0.006","19.391","0.006","82.717","0.006","84.77","0.006","86.359","0.006","2233.9","1.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N4 O6 Si -","- C20 H24 N4 O6 Si -","- C80 H96 N16 O24 Si4 -","4","2","","Roy, Arundhati; Datar, Avdhoot; Kand, Dnyaneshwar; Saha, Tanmoy; Talukdar, Pinaki","A fluorescent off-on NBD-probe for F(-) sensing: theoretical validation and experimental studies.","Organic & biomolecular chemistry","2014","12","13","2143","2149","10.1039/c3ob41886c","","","0.71073","MoKα","","0.1875","0.0793","","","0.1806","0.2393","","","","","","0.947","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153674","13.7177","0.001","27.048","0.002","18.9817","0.0014","90","","92.5526","0.0012","90","","7035.9","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","[CB4(Ph(OC2H4NH3)2)2]Cl4.nH2O","[CB4(Ph(OC2H4NH3)2)2]Cl4.nH2O","","- C50 H94.28 Cl4 N20 O25.14 -","- C50 H68 Cl2.2785 N20 O16.39 -","- C200 H272 Cl9.114 N80 O65.56 -","4","2","","Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle","Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.","Organic & biomolecular chemistry","2014","12","15","2413","2422","10.1039/c3ob42603c","","","0.71073","MoKα","","0.0583","0.0529","","","0.121","0.1234","","","","","","1.011","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153675","29.339","0.003","13.8631","0.0013","29.715","0.003","90","","99.2288","0.0016","90","","11930","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetra hydroxyl CB","Tetra hydroxyl CB","","- C100 H155 N32 O49.5 -","- C100 H134 N32 O49.533 -","- C400 H536 N128 O198.132 -","4","1","","Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle","Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.","Organic & biomolecular chemistry","2014","12","15","2413","2422","10.1039/c3ob42603c","","","0.71073","MoKα","","0.0735","0.0587","","","0.1158","0.1208","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153676","14.868","0.004","9.506","0.003","11.977","0.004","90","","111.598","0.003","90","","1573.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F6 N3 -","- C18 H9 F6 N3 -","- C72 H36 F24 N12 -","4","1","","Huang, Shengdian; Qing, Jie; Wang, Shuo; Wang, Huan; Zhang, Linqi; Tang, Yefeng","Design and synthesis of imidazo[1,2-α][1,8]naphthyridine derivatives as anti-HCV agents via direct C-H arylation.","Organic & biomolecular chemistry","2014","12","15","2344","2348","10.1039/c3ob42525h","","","0.71073","MoKα","","0.0627","0.0554","","","0.1412","0.1472","","","","","","1.14","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153677","13.8234","0.0014","14.4667","0.0014","24.486","0.002","90","","90","","90","","4896.7","0.8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H33 N3 O -","- C29 H33 N3 O -","- C232 H264 N24 O8 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0982","0.0495","","","0.1019","0.1239","","","","","","1.023","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153678","21.585","0.001","7.8022","0.0004","15.6198","0.0008","90","","95.68","0.001","90","","2617.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl N3 O5 -","- C29 H34 Cl N3 O5 -","- C116 H136 Cl4 N12 O20 -","4","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0569","0.0407","","","0.1005","0.1104","","","","","","1.019","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153679","12.8809","0.0006","8.8823","0.0004","13.1761","0.0006","90","","97.955","0.001","90","","1493","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B F4 N2 -","- C16 H19 B F4 N2 -","- C64 H76 B4 F16 N8 -","4","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0417","0.0346","","","0.092","0.0975","","","","","","1.012","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153680","7.7069","0.001","10.4968","0.0014","11.1874","0.0015","93.206","0.002","102.273","0.002","104.014","0.002","852.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N O4 -","- C17 H16 Cl N O4 -","- C34 H32 Cl2 N2 O8 -","2","1","","Xin, Xiaoqing; Zhang, Qian; Liang, Yongjiu; Zhang, Rui; Dong, Dewen","Tandem halogenation/Michael-initiated ring-closing reaction of α,β-unsaturated nitriles and activated methylene compounds: one-pot diastereoselective synthesis of functionalized cyclopropanes.","Organic & biomolecular chemistry","2014","12","15","2427","2435","10.1039/c4ob00087k","","","0.71073","MoKα","","0.0763","0.0631","","","0.1618","0.1744","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153681","12.7311","0.001","15.7373","0.0013","9.2462","0.0007","90","","104.025","0.002","90","","1797.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Nitro-<i>9H</i>-3,9'-bicarbazole","","- C24 H15 N3 O2 -","- C24 H15 N3 O2 -","- C96 H60 N12 O8 -","4","1","","Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions.","Organic & biomolecular chemistry","2014","12","16","2596","2605","10.1039/c3ob41746h","","","0.71073","MoKα","","0.1302","0.0547","","","0.0953","0.1219","","","","","","1.009","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153682","12.6024","0.0005","7.6803","0.0002","19.048","0.0007","90","","102.443","0.002","90","","1800.35","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-<i>9H</i>-2,9'-bicarbazole","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions.","Organic & biomolecular chemistry","2014","12","16","2596","2605","10.1039/c3ob41746h","","","0.71073","MoKα","","0.0847","0.0514","","","0.1156","0.1352","","","","","","1.028","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153683","10.764","0.003","12.052","0.004","17.532","0.005","90","","107.151","0.007","90","","2173.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 F N2 -","- C27 H23 F N2 -","- C108 H92 F4 N8 -","4","1","","Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li","Mild gold-catalyzed three-component dehydrogenative coupling of terminal alkynes to amines and indole-2-carboxaldehyde.","Organic & biomolecular chemistry","2014","12","16","2523","2527","10.1039/c3ob42431f","","","0.71073","MoKα","","0.1725","0.11","","","0.2706","0.3547","","","","","","1.106","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153684","12.368","0.012","13.474","0.014","13.097","0.013","90","","102.866","0.017","90","","2128","4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(Tert-butyldimethylsilyloxy)-6-methoxy-1-phenyl-3, 3a, 4, 8b- tetrahydro-1H- indeno [1, 2-c] isoxazole","","- C23 H31 N O3 Si -","- C23 H31 N O3 Si -","- C92 H124 N4 O12 Si4 -","4","1","","Dulla, Balakrishna; Tangellamudi, Neelima D.; Balasubramanian, Sridhar; Yellanki, Swapna; Medishetti, Raghavender; Kumar Banote, Rakesh; Hari Chaudhari, Girish; Kulkarni, Pushkar; Iqbal, Javed; Reiser, Oliver; Pal, Manojit","Isovanillin derived N-(un)substituted hydroxylamines possessing an ortho-allylic group: valuable precursors to bioactive N-heterocycles.","Organic & biomolecular chemistry","2014","12","16","2552","2558","10.1039/c3ob42460j","","","0.71073","MoKα","","0.0567","0.0506","","","0.1381","0.1448","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153685","11.395","0.004","7.21","0.002","17.653","0.005","90","","110.39","0.018","90","","1359.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F N O2 -","- C17 H12 F N O2 -","- C68 H48 F4 N4 O8 -","4","1","","Ding, Dong; Liu, Gang; Xu, Guangyang; Li, Jian; Wang, Guoping; Sun, Jiangtao","Palladium catalyzed N-H bond insertion and intramolecular cyclization cascade: the divergent synthesis of heterocyclics.","Organic & biomolecular chemistry","2014","12","16","2533","2537","10.1039/c4ob00001c","","","0.71073","MoKα","","0.1061","0.0689","","","0.2064","0.2428","","","","","","1.021","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153686","13.7868","0.0003","9.5016","0.0002","10.9971","0.0003","90","","104.522","0.001","90","","1394.56","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","","Wu, Xiao-Feng; Oschatz, Stefan; Block, Axel; Spannenberg, Anke; Langer, Peter","Base mediated synthesis of 2-aryl-2,3-dihydroquinazolin-4(1H)-ones from 2-aminobenzonitriles and aromatic aldehydes in water.","Organic & biomolecular chemistry","2014","12","12","1865","1870","10.1039/c3ob42434k","","","1.54178","CuKα","","0.0349","0.0329","","","0.0857","0.0878","","","","","","1.042","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153687","7.9294","0.0012","12.763","0.002","16.761","0.003","96.664","0.017","99.981","0.017","97.378","0.014","1640.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2,3-Dichloro-N-[1-methyl-4-(methyloxy)-1H-indazol-3-yl]benzenesulfonamide","","- C15 H13 Cl2 N3 O3 S -","- C15 H13 Cl2 N3 O3 S -","- C60 H52 Cl8 N12 O12 S4 -","4","2","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0354","0.0277","","","0.0682","0.0735","","","","","","1.086","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153688","9.0361","0.0016","20.725","0.002","21.381","0.006","90","","96.612","0.016","90","","3977.5","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3-Dichloro-N-[6-chloro-3-({[2-(hydroxymethyl)phenyl]methyl}oxy)-2- pyrazinyl]benzenesulfonamide","","- C18 H14 Cl3 N3 O4 S -","- C18 H14 Cl3 N3 O4 S -","- C144 H112 Cl24 N24 O32 S8 -","8","2","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.1002","0.0615","","","0.1476","0.1716","","","","","","1.069","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153689","7.5758","0.0009","8.7573","0.0009","23.065","0.002","90","","91.905","0.008","90","","1529.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3-Dichloro-N-[2-(1H-pyrazol-1-yl)phenyl]benzenesulfonamide","","- C15 H11 Cl2 N3 O2 S -","- C15 H11 Cl2 N3 O2 S -","- C60 H44 Cl8 N12 O8 S4 -","4","1","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0456","0.0367","","","0.0858","0.0949","","","","","","1.083","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153690","7.439","0.0009","8.477","0.0012","13.0579","0.0015","88.763","0.011","84.177","0.01","64.88","0.013","741.5","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2,3-Dichloro-N-[2-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide","","- C13 H9 Cl2 N5 O2 S -","- C13 H9 Cl2 N5 O2 S -","- C26 H18 Cl4 N10 O4 S2 -","2","1","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0461","0.0358","","","0.0802","0.0872","","","","","","1.03","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153691","5.29","","6.432","","12.429","","86.64","","88.36","","65.8","","385.068","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H26 O3 S -","- C15 H26 O3 S -","- C15 H26 O3 S -","1","1","","Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo","Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.","Organic & biomolecular chemistry","2014","12","14","2180","2184","10.1039/c4ob00173g","","","0.71073","MoKα","","0.0857","0.0663","","","0.1611","0.1777","","","","","","0.944","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153692","11.471","","7.889","","15.246","","90","","93.54","","90","","1377.05","","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo","Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.","Organic & biomolecular chemistry","2014","12","14","2180","2184","10.1039/c4ob00173g","","","0.71073","MoKα","","0.095","0.0547","","","0.1239","0.1438","","","","","","1.032","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153693","7.3715","0.0004","9.3781","0.0007","12.8371","0.0012","96.36","0.007","99.202","0.007","111.905","0.006","798.57","0.12","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N O -","- C21 H14 Br N O -","- C42 H28 Br2 N2 O2 -","2","1","","Yadav, Pratik; Singh, Surjeet; Sahu, Satya Narayan; Hussain, Firasat; Pratap, Ramendra","Microwave assisted base dependent regioselective synthesis of partially reduced chromenes, isochromenes and phenanthrenes.","Organic & biomolecular chemistry","2014","12","14","2228","2234","10.1039/c3ob41962b","","","0.71073","MoKα","","0.0892","0.0759","","","0.2085","0.2198","","","","","","1.097","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153694","11.0704","0.0014","22.732","0.003","13.049","0.0017","90","","104.428","0.007","90","","3180.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 S -","- C19 H16.25 N2 S -","- C152 H130 N16 S8 -","8","4","","Liu, Ge; Kong, Lichun; Shen, Ji; Zhu, Gangguo","A regio- and stereoselective entry to (Z)-β-halo alkenyl sulfides and their applications to access stereodefined trisubstituted alkenes.","Organic & biomolecular chemistry","2014","12","14","2310","2321","10.1039/c4ob00103f","","","0.71073","MoKα","","","0.0785","","","0.1706","0.2387","","","","","","0.913","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153695","6.4986","0.0013","7.2522","0.0015","40.288","0.008","90","","90","","90","","1898.7","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl3 N O3 -","- C18 H20 Cl3 N O3 -","- C72 H80 Cl12 N4 O12 -","4","1","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0595","0.0519","","","0.173","0.1892","","","","","","1.38","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153696","5.8326","0.0012","8.921","0.0018","40.497","0.008","90","","90","","90","","2107.2","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C88 H92 N4 O24 S4 -","4","1","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0905","0.0708","","","0.1263","0.1377","","","","","","1.094","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153697","9.4908","0.0018","11.747","0.002","23.965","0.005","90","","90","","90","","2671.8","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl3 N O -","- C12 H12 Cl3 N O -","- C96 H96 Cl24 N8 O8 -","8","2","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0386","0.0374","","","0.0947","0.0953","","","","","","1.109","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153698","7.1858","0.0003","21.2747","0.0008","8.7923","0.0004","90","","97.085","0.004","90","","1333.87","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","2","","Górecki, Marcin; Suszczyńska, Agata; Woźnica, Magdalena; Baj, Aneta; Wolniak, Michał; Cyrański, Michał K; Witkowski, Stanisław; Frelek, Jadwiga","Chromane helicity rule - scope and challenges based on an ECD study of various trolox derivatives.","Organic & biomolecular chemistry","2014","12","14","2235","2254","10.1039/c3ob42376j","","","0.71073","MoKα","","0.0504","0.0458","","","0.1211","0.1246","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153699","17.928","0.004","21.795","0.004","26.597","0.005","68.93","0.03","79.43","0.03","73.05","0.03","9240","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H93.5 F12 N4.5 O16 P2 -","- C79 H93.5 F12 N4.5 O16 P2 -","- C316 H374 F48 N18 O64 P8 -","4","2","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1368","0.098","","","0.2526","0.2765","","","","","","1.293","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153700","33.928","0.007","26.606","0.005","41.298","0.008","90","","112.64","0.03","90","","34407","14","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H83 F12 N2 O16 P2 -","- C74 H83 F12 N2 O16 P2 -","- C1184 H1328 F192 N32 O256 P32 -","16","2","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1696","0.12","","","0.2932","0.3159","","","","","","1.352","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153701","12.547","0.002","16.146","0.003","21.955","0.004","109.304","0.004","91.346","0.003","91.789","0.003","4192.9","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H102 F12 N4 O17 P2 -","- C86 H102 F12 N4 O17 P2 -","- C172 H204 F24 N8 O34 P4 -","2","1","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1187","0.1017","","","0.2583","0.2755","","","","","","1.11","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153702","5.2268","0.0005","8.9268","0.0009","19.809","0.002","90","","92.227","0.002","90","","923.56","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl O3 -","- C9 H11 Cl O3 -","- C36 H44 Cl4 O12 -","4","1","","Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping","Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride.","Organic & biomolecular chemistry","2014","12","18","2854","2858","10.1039/c4ob00391h","","","0.71073","MoKα","","0.0266","0.026","","","0.0694","0.0699","","","","","","1.073","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153703","20.214","0.003","10.0193","0.0013","8.196","0.0011","90","","95.8337","0.0018","90","","1651.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cl O3 -","- C8 H9 Cl O3 -","- C64 H72 Cl8 O24 -","8","2","","Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping","Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride.","Organic & biomolecular chemistry","2014","12","18","2854","2858","10.1039/c4ob00391h","","","0.71073","MoKα","","0.0286","0.0259","","","0.0643","0.0662","","","","","","1.052","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153704","10.1157","0.0003","21.1608","0.0004","10.7272","0.0003","90","","116.05","0.003","90","","2062.95","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O3 -","- C28 H24 O3 -","- C112 H96 O12 -","4","1","","Zhu, Shifa; Hu, Lang; Jiang, Huanfeng","Gold-catalyzed tandem Diels-Alder reactions of enynals/enynones with alkenes: generation and trapping of cyclic o-QDMs.","Organic & biomolecular chemistry","2014","12","24","4104","4111","10.1039/c4ob00321g","","","1.54178","CuKα","","0.043","0.0365","","","0.1116","0.1219","","","","","","0.873","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153705","12.1109","0.0016","12.2037","0.0016","13.4259","0.0018","90","","91.302","0.002","90","","1983.8","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O3 -","- C28 H22 O3 -","- C112 H88 O12 -","4","1","","Zhu, Shifa; Hu, Lang; Jiang, Huanfeng","Gold-catalyzed tandem Diels-Alder reactions of enynals/enynones with alkenes: generation and trapping of cyclic o-QDMs.","Organic & biomolecular chemistry","2014","12","24","4104","4111","10.1039/c4ob00321g","","","0.71073","MoKα","","0.0589","0.0418","","","0.1055","0.1173","","","","","","1.027","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153706","10.7084","0.0006","11.0671","0.0007","12.0232","0.0007","78.662","0.002","84.243","0.002","61.179","0.002","1223.99","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 I N3 O4 -","- C23 H30 I N3 O4 -","- C46 H60 I2 N6 O8 -","2","1","","Chand, S Sarath; Saranya, S; Preethanuj, P; Dhanya, B P; Jijy, E; Prakash, Praveen; Sasidhar, B S; Szymoniak, Jan; Santhini, P V; Radhakrishnan, K V","Trapping the Lewis acid generated transient species from pentafulvene derived diazanorbornenes with ortho-functionalized aryl iodides and aliphatic alcohols.","Organic & biomolecular chemistry","2014","12","19","3045","3061","10.1039/c4ob00031e","","","0.71073","MoKα","","0.0668","0.0598","","","0.1599","0.1722","","","","","","1.119","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153707","10.212","0.003","11.258","0.003","17.747","0.004","90","","98.985","0.004","90","","2015.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br3 N O3 S -","- C18 H18 Br3 N O3 S -","- C72 H72 Br12 N4 O12 S4 -","4","1","","Gopi, Elumalai; Namboothiri, Irishi N. N.","Synthesis of α-tribromomethylamines via Mg-mediated addition of bromoform to imines.","Organic & biomolecular chemistry","2014","12","17","2769","2777","10.1039/c4ob00259h","","","0.71073","MoKα","","0.0351","0.0286","","","0.0584","0.06","","","","","","0.972","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153708","15.502","0.001","13.181","0.001","40.203","0.001","90","","96.52","0.05","90","","8161.6","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","para hexa nitro calix[6]arene TMPA, acetone solvate","","","- C74.05 H69.11 N11 O25.68 -","- C74.053 H69.11 N11 O25.683 -","- C296.212 H276.44 N44 O102.732 -","4","1","","Brugnara, Andrea; Fusaro, Luca; Luhmer, Michel; Prangé, Thierry; Colasson, Benoit; Reinaud, Olivia","An induced-fit process through mechanical pivoting of aromatic walls in host-guest chemistry of calix[6]arene aza-cryptands.","Organic & biomolecular chemistry","2014","12","17","2754","2760","10.1039/c4ob00304g","","","0.982","synchrotron","","0.0824","0.0821","","","0.2222","0.2222","","","","","","1.156","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153709","17.5956","0.0013","7.1768","0.0004","18.6281","0.0012","90","","114.02","0.004","90","","2148.7","0.3","137.6","","137.6","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 F3 N3 O6 -","- C18 H28 F3 N3 O6 -","- C72 H112 F12 N12 O24 -","4","1","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","","0.71073","MoKα","","0.0368","0.0315","","","0.067","0.0713","","","","","","1.086","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153710","27.66","0.002","10.3977","0.0011","31.516","0.002","90","","115.635","0.007","90","","8171.8","1.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Cl3 N5 O8 -","- C36 H54 Cl3 N5 O8 -","- C288 H432 Cl24 N40 O64 -","8","2","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","x-ray","1.54178","CuKα","K-L~3~","0.0651","0.0571","","","0.1425","0.1492","","","","","","1.02","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153711","9.5371","0.0007","14.1962","0.001","21.2896","0.0015","90","","97.626","0.002","90","","2856.9","0.4","149.9","","149.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl3 N3 O6 -","- C22 H38 Cl3 N3 O6 -","- C88 H152 Cl12 N12 O24 -","4","1","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","","0.71073","MoKα","","0.0839","0.054","","","0.1399","0.1626","","","","","","0.938","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153712","23.3123","0.0004","14.7753","0.0002","18.256","0.0003","90","","90","","90","","6288.21","0.17","106","","106","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H28 N4 O4 -","- C38 H28 N4 O4 -","- C304 H224 N32 O32 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.0375","","","","0.0994","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153713","11.1289","0.0004","12.3596","0.0004","12.6371","0.0004","102.539","0.002","96.811","0.002","113.934","0.0018","1508.68","0.09","108","","108","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H28 N4 O2 -","- C38 H28 N4 O2 -","- C76 H56 N8 O4 -","2","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.044","","","","0.1348","","","","","","1.096","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153714","13.0039","0.0003","14.398","0.0003","18.6793","0.0004","99.561","0.007","91.793","0.007","103.561","0.007","3343.59","0.18","117","","117","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Cl2 N4 O3 -","- C38 H26 Cl2 N4 O3 -","- C152 H104 Cl8 N16 O12 -","4","2","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.0784","","","","0.1922","","","","","","1.021","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153715","15.9572","0.0003","8.7817","0.0002","16.7713","0.0003","90","","91.2657","0.0012","90","","2349.61","0.08","117","2","117","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 Cl4 O4 -","- C60 H44 Cl4 O4 -","- C120 H88 Cl8 O8 -","2","0.5","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.0601","0.0449","","","0.1171","0.1301","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153716","28.4477","0.0018","10.8997","0.0006","23.5205","0.0014","90","","98.339","0.003","90","","7215.9","0.7","117","2","117","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Cl2 N3 O3 -","- C36 H21 Cl2 N3 O3 -","- C288 H168 Cl16 N24 O24 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.1457","0.0839","","","0.2156","0.2747","","","","","","0.985","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153717","7.5275","0.0001","27.5908","0.0006","26.168","0.0006","90","","90","","90","","5434.83","0.19","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C256 H224 O16 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.084","0.0631","","","0.1804","0.1934","","","","","","1.099","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153718","20.9635","0.0003","13.2472","0.0002","22.6274","0.0004","90","","90","","90","","6283.8","0.17","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H28 N4 O4 -","- C38 H28 N4 O4 -","- C304 H224 N32 O32 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.1275","","","","0.2983","","","","","","1.042","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153719","28.1011","0.0005","10.9295","0.0002","23.4906","0.0004","90","","97.8432","0.001","90","","7147.2","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 N3 O3 -","- C38 H27 N3 O3 -","- C304 H216 N24 O24 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.1127","0.0644","","","0.1592","0.1923","","","","","","0.998","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153720","10.0721","0.0002","13.6832","0.0003","23.3065","0.0004","90","","95.6174","0.0009","90","","3196.64","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 N3 O5 -","- C38 H27 N3 O5 -","- C152 H108 N12 O20 -","4","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.0701","0.0426","","","0.1027","0.1368","","","","","","1.118","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153721","8.7226","0.0016","19.987","0.004","9.9442","0.0019","90","","114.349","0.003","90","","1579.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Zhang, Jiajun; Li, Pinhua; Wang, Lei","KOAc-promoted alkynylation of α-C-H bonds of ethers with alkynyl bromides under transition-metal-free conditions.","Organic & biomolecular chemistry","2014","12","18","2969","2978","10.1039/c4ob00002a","","","0.71073","MoKα","","0.0667","0.0475","","","0.122","0.1376","","","","","","1.045","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153722","9.2718","0.0019","9.5841","0.0014","10.492","0.0015","73.388","0.013","84.716","0.014","79.196","0.015","876.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Goutham, Kommuru; Mangina, N. S. V. M. Rao; Suresh, Surisetti; Raghavaiah, Pallepogu; Karunakar, Galla V.","Gold-catalysed cyclisation of N-propargylic β-enaminones to form 3-methylene-1-pyrroline derivatives.","Organic & biomolecular chemistry","2014","12","18","2869","2873","10.1039/c3ob42513d","","","0.71073","MoKα","","0.0961","0.051","","","0.0894","0.1096","","","","","","0.978","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153723","15.7704","0.0009","17.0399","0.0009","17.7847","0.0009","82.212","0.001","72.642","0.002","85.179","0.002","4514.7","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.5 H48.5 Cl1.5 N2 S -","- C48.5 H48.5 Cl1.5 N2 S -","- C194 H194 Cl6 N8 S4 -","4","2","","Maeda, Chihiro; Masuda, Motoki; Yoshioka, Naoki","Synthesis of carbazole-based hetero-core-modified porphyrins.","Organic & biomolecular chemistry","2014","12","17","2656","2662","10.1039/c3ob42564a","","","0.71073","MoKα","","0.0885","0.0642","","","0.1751","0.1934","","","","","","1.106","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153724","8.6058","0.0004","7.5126","0.0003","22.4696","0.0008","90","","97.873","0.002","90","","1439.01","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10,10-diethyl-2-(2-hydroxyethyl)-6,8-dioxo-6,7,8,10-tetrahydro-1H-imidazo- [2',1:3,4][1,4,2]diazaborolo[1,5-c]pyrimidin-4-iunm-10-uide","","- C13 H19 B N4 O3 -","- C13 H19 B N4 O3 -","- C52 H76 B4 N16 O12 -","4","1","","Zhang, Jiaxi; Pidlypnyi, Nazar; Nieger, Martin; Namyslo, Jan C.; Schmidt, Andreas","Zwitterionic borane adducts of N-heterocyclic carbenes from mesomeric betaines of uracil.","Organic & biomolecular chemistry","2014","12","17","2737","2744","10.1039/c3ob42462f","","","0.71073","MoKα","","0.1047","0.0906","","","0.2091","0.2201","","","","","","1.061","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153725","35.612","0.003","8.829","0.001","11.287","0.001","90","","90","","90","","3548.8","0.6","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-benzyl-10,10-diethyl-6,8-dioxo-6,7,8,10-tetrahydro-1H-imidazo [2',1:3,4][1,4,2]diazaborolo[1,5-c]pyrimidin-4-ium-10-uide","","- C18 H21 B N4 O2 -","- C18 H21 B N4 O2 -","- C144 H168 B8 N32 O16 -","8","2","","Zhang, Jiaxi; Pidlypnyi, Nazar; Nieger, Martin; Namyslo, Jan C.; Schmidt, Andreas","Zwitterionic borane adducts of N-heterocyclic carbenes from mesomeric betaines of uracil.","Organic & biomolecular chemistry","2014","12","17","2737","2744","10.1039/c3ob42462f","","","0.71073","MoKα","","0.0624","0.0505","","","0.112","0.1174","","","","","","1.12","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153726","10.0503","0.0002","10.952","0.0002","11.2054","0.0003","74.3842","0.0008","68.6115","0.0008","80.1552","0.0012","1102.4","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C54 H58 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0525","0.0409","","0.109","0.0961","0.109","","","","","","0.9333","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153727","8.66504","0.00013","9.9818","0.0002","18.4067","0.0004","90","","90","","90","","1592.05","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0339","0.0323","","0.0839","0.0811","0.0826","","","","","","1.0003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153728","11.23757","0.0001","11.23757","0.0001","31.9939","0.0003","90","","90","","120","","3498.99","0.05","150","","150","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C162 H174 N6 O12 -","6","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0336","0.033","","0.0854","0.0849","0.0854","","","","","","1.0089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153729","9.7215","0.0003","13.5384","0.0002","10.1187","0.0003","90","","116.959","0.003","90","","1187.04","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C56 H62 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0383","0.0368","","0.1008","0.0986","0.1007","","","","","","0.9976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153730","10.27494","0.00011","10.27815","0.0001","12.21513","0.00016","90","","107.27","0.0013","90","","1231.85","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0293","0.0282","","0.0763","0.0748","0.0763","","","","","","0.9348","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153731","12.4852","0.0002","9.9345","0.0002","15.0329","0.0003","90","","100.016","0.0009","90","","1836.17","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H29 N O2 -","- C18 H29 N O2 -","- C72 H116 N4 O8 -","4","2","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0491","0.0434","","0.1086","0.1031","0.1086","","","","","","0.9156","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153732","12.315","0.0001","15.4817","0.0002","29.8308","0.0003","90","","90","","90","","5687.45","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H36 N O2.5 -","- C34.5 H36 N O2.5 -","- C276 H288 N8 O20 -","8","2","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0454","0.0439","","0.1179","0.1164","0.1179","","","","","","0.9978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153733","8.93933","0.00011","14.19427","0.00018","10.40085","0.00016","90","","98.842","0.0013","90","","1304.05","0.03","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 B F4 N O2 -","- C27 H36 B F4 N O2 -","- C54 H72 B2 F8 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0285","0.0275","","0.0696","0.0686","0.0695","","","","","","0.9882","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153734","10.7026","0.0007","15.0868","0.0009","16.8872","0.0008","90","","90","","90","","2726.7","0.3","150","","150","","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C31 H35 N O2 -","- C31 H35 N O2 -","- C124 H140 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0794","0.074","","0.2054","0.1998","0.2054","","","","","","0.9966","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153735","5.421","0.0001","8.9375","0.0003","11.4409","0.0003","90","","101.827","0.0012","90","","542.55","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H18 Cl N O2 -","- C9 H18 Cl N O2 -","- C18 H36 Cl2 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0254","0.0242","","0.0563","0.0553","0.0563","","","","","","1.0066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153736","21.828","0.004","9.4747","0.0016","22.495","0.004","90","","95.114","0.01","90","","4633.8","1.4","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C108 H136 N12 -","- C102.263 H123.569 N12 -","- C204.526 H247.139 N24 -","2","0.5","","Schweighauser, Luca; Häussinger, Daniel; Neuburger, Markus; Wegner, Hermann A.","Symmetry as a new element to control molecular switches.","Organic & biomolecular chemistry","2014","12","21","3371","3379","10.1039/c4ob00230j","","","0.71073","MoKα","","0.1755","0.0633","","0.1986","0.0657","0.0778","","","","","","1.053","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153737","6.3212","0.0016","7.4318","0.0019","33.967","0.009","90","","90","","90","","1595.7","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0939","0.0478","","","0.0928","0.1132","","","","","","1","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153738","14.2395","0.0019","7.5461","0.001","32.144","0.004","90","","90","","90","","3454","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H17 N -","- C25 H17 N -","- C200 H136 N8 -","8","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.1219","0.0498","","","0.1021","0.1364","","","","","","0.993","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153739","15.95","0.02","7.413","0.01","6.299","0.009","90","","94.011","0.018","90","","743","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 F N -","- C21 H14 F N -","- C42 H28 F2 N2 -","2","0.5","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.1626","0.0663","","","0.1535","0.1912","","","","","","1.048","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153740","12.397","0.005","13.109","0.005","13.546","0.005","90","","93.129","0.005","90","","2198.1","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C116 H92 N4 O8 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.086","0.0494","","","0.1221","0.1421","","","","","","1.035","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153741","13.9977","0.0016","10.9009","0.0012","18.025","0.002","90","","101.979","0.001","90","","2690.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cl Fe N4 Pd -","- C31 H27 Cl Fe N4 Pd -","- C124 H108 Cl4 Fe4 N16 Pd4 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0598","0.0362","","","0.0772","0.0888","","","","","","1","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153742","16.077","0.002","12.6076","0.0017","37.742","0.005","90","","90","","90","","7650","1.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H47 Cl Fe N4 Pd -","- C41 H47 Cl Fe N4 Pd -","- C328 H376 Cl8 Fe8 N32 Pd8 -","8","2","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0766","0.0525","","","0.1301","0.1462","","","","","","1.049","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153743","7.925","0.0016","11.508","0.002","17.714","0.004","73.96","0.03","81.78","0.03","81.29","0.03","1526","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 O4 S -","- C36 H34 N2 O4 S -","- C72 H68 N4 O8 S2 -","2","1","","Kobayashi, Satoru; Kudo, Kenji; Ito, Ai; Hirama, Satoru; Otani, Takashi; Saito, Takao","The diene-transmissive hetero-Diels-Alder reaction of 2-vinyl α,β-unsaturated aldimines: stereoselective synthesis of hexahydroquinazolin-2-ones.","Organic & biomolecular chemistry","2014","12","24","4061","4064","10.1039/c4ob00224e","","","0.71073","MoKα","","0.0835","0.0678","","","0.1534","0.1643","","","","","","0.969","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153744","9.448","0.0019","13.551","0.003","34.449","0.007","84.72","0.03","86.19","0.03","87.63","0.03","4379.3","1.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 Cl N3 -","- C17 H14 Cl N3 -","- C204 H168 Cl12 N36 -","12","6","","Chen, Huoji; Yang, Wanfei; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed regioselective azidation of allylic C-H bonds under atmospheric pressure of dioxygen.","Organic & biomolecular chemistry","2014","12","21","3340","3343","10.1039/c4ob00442f","","","0.71073","MoKα","","0.129","0.051","","","0.1421","0.1508","","","","","","0.842","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153745","7.9687","0.0008","9.4665","0.0009","9.6211","0.0009","62.398","0.009","77.124","0.008","81.985","0.008","626.45","0.12","120","2","120","2","","","","","","","","4","P 1","P 1","1","","ethyl-4,6-di(1H-indol-3-yl)-1-phenylpiperidin-2-carboxylate","","- C30 H29 N3 O2 -","- C30 H29 N3 O2 -","- C30 H29 N3 O2 -","1","1","","Zhong, Sabilla; Nieger, Martin; Bihlmeier, Angela; Shi, Min; Bräse, Stefan","Asymmetric organocatalytic synthesis of 4,6-bis(1H-indole-3-yl)-piperidine-2 carboxylates.","Organic & biomolecular chemistry","2014","12","20","3265","3270","10.1039/c4ob00234b","","","1.54178","CuKα","","0.0263","0.026","","","0.0664","0.0666","","","","","","1.053","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153746","9.094","0.005","13.65","0.005","16.253","0.005","80.99","0.03","85.1","0.03","72.87","0.04","1902.6","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O2 S0 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","2","","Singh, Surjeet; Yadav, Pratik; Sahu, Satya Narayan; Althagafi, Ismail; Kumar, Abhinav; Kumar, Brijesh; Ram, Vishnu Ji; Pratap, Ramendra","Synthesis of 1-amino-2-aroyl/acetylnaphthalenes through a base mediated one pot inter and intramolecular C-C bond formation strategy.","Organic & biomolecular chemistry","2014","12","26","4730","4737","10.1039/c4ob00432a","","","0.71073","MoKα","","0.1815","0.0787","","","0.1529","0.2068","","","","","","1.01","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153747","6.4358","0.0003","12.1826","0.0007","12.7387","0.0007","103.653","0.005","103.478","0.005","95.006","0.004","933.06","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Cl N O4 S -","- C19 H14 Cl N O4 S -","- C38 H28 Cl2 N2 O8 S2 -","2","1","","Yu, Lian; Cao, Jian","Synthesis of α,β-unsaturated amides and iminocoumarins from N,N-disulfonyl ynamides with aldehydes via the ketenimine intermediate.","Organic & biomolecular chemistry","2014","12","23","3986","3990","10.1039/c4ob00513a","","","0.71073","MoKα","","0.0601","0.0423","","","0.0986","0.1107","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153748","6.2925","0.0005","22.0931","0.0018","15.8946","0.0013","90","","90.198","0.001","90","","2209.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 Cl N O6 S -","- C19 H28 Cl N O6 S -","- C76 H112 Cl4 N4 O24 S4 -","4","2","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","","0.71073","MoKα","","0.0725","0.0696","","","0.186","0.1875","","","","","","1.177","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153749","9.2379","0.0002","10.1214","0.0002","19.9426","0.0005","90","","90","","90","","1864.64","0.07","123","2","123","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 N O6 S -","- C15 H27 N O6 S -","- C60 H108 N4 O24 S4 -","4","1","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","x-ray","0.71073","MoKα","","0.0301","0.0279","","","0.0622","0.0637","","","","","","1.057","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153750","9.4099","0.0009","9.4099","0.0009","31.116","0.003","90","","90","","120","","2386.1","0.4","123","2","123","2","","","","","","","","6","P 31","P 31","144","","","","- C12 H24 Cl N O4 S -","- C12 H24 Cl N O4 S -","- C72 H144 Cl6 N6 O24 S6 -","6","2","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","","0.71073","MoKα","","0.0392","0.039","","","0.0981","0.0981","","","","","","1.244","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153751","12.308","0.007","13.358","0.007","18.357","0.01","76.993","0.007","87.634","0.008","86.828","0.007","2935","3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","MolGyro","","","- C60 H112 Si2 -","- C60 H112 Si2 -","- C120 H224 Si4 -","2","1","","Setaka, Wataru; Higa, Sayaka; Yamaguchi, Kentaro","Ring-closing metathesis for the synthesis of a molecular gyrotop.","Organic & biomolecular chemistry","2014","12","21","3354","3357","10.1039/c4ob00470a","","","0.71073","MoKα","","0.3208","0.0927","","","0.1639","0.2323","","","","","","0.802","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153752","14.53","0.003","18.768","0.003","21.753","0.004","95.313","0.002","90.751","0.003","92.942","0.002","5897.8","1.9","200","2","200","2","","","","","","","","3","P -1","-P 1","2","MolGyroIsomer","","","- C60 H112 Si2 -","- C60 H112 Si2 -","- C240 H448 Si8 -","4","2","","Setaka, Wataru; Higa, Sayaka; Yamaguchi, Kentaro","Ring-closing metathesis for the synthesis of a molecular gyrotop.","Organic & biomolecular chemistry","2014","12","21","3354","3357","10.1039/c4ob00470a","","","0.71073","MoKα","","0.237","0.0877","","","0.1959","0.2645","","","","","","0.957","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153755","8.954","0.0018","9.455","0.0019","17.176","0.003","90","","90","","90","","1454.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Zhang, Yu; Lu, Yingyan; Tang, Weifang; Lu, Tao; Du, Ding","Cooperative N-heterocyclic carbene (NHC)-Lewis acid-mediated regioselective umpolung formal [3 + 2] annulations of alkynyl aldehydes with isatins.","Organic & biomolecular chemistry","2014","12","19","3009","3015","10.1039/c4ob00145a","","","0.71073","MoKα","","0.0713","0.0474","","","0.1126","0.1259","","","","","","1.009","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153756","10.9442","0.001","12.2254","0.0012","17.017","0.0017","83.291","0.008","72.695","0.009","73.531","0.009","2083.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N4 O12 Si2 -","- C38 H48 N4 O12 Si2 -","- C76 H96 N8 O24 Si4 -","2","1","","Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon.","Organic & biomolecular chemistry","2014","12","19","3021","3025","10.1039/c4ob00139g","","","0.7107","MoKα","","0.1519","0.0709","","","0.1429","0.1871","","","","","","0.943","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153757","8.2957","0.0008","9.7941","0.001","27.385","0.003","81.1","0.008","84.633","0.008","87.844","0.008","2188","0.4","294.04","0.1","294.04","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H48 N4 O12 Si2 -","- C35 H48 N4 O12 Si2 -","- C70 H96 N8 O24 Si4 -","2","1","","Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon.","Organic & biomolecular chemistry","2014","12","19","3021","3025","10.1039/c4ob00139g","","","0.7107","MoKα","","0.1169","0.0748","","","0.2098","0.2439","","","","","","1.013","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153771","8.4042","0.0008","9.8413","0.0009","10.3659","0.0009","76.975","0.003","72.998","0.003","77.774","0.003","788.93","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C40 H30 N2 O8 -","2","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0551","0.0437","","","0.1462","0.1573","","","","","","1.252","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153772","7.2807","0.0003","23.1644","0.0011","12.4215","0.0006","90","","98.89","0.0014","90","","2069.76","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O10 S -","- C19 H18 N2 O10 S -","- C76 H72 N8 O40 S4 -","4","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0804","0.068","","","0.2406","0.248","","","","","","1.999","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153773","8.447","0.006","9.631","0.006","22.349","0.013","90","","91.54","0.02","90","","1818","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O6 -","- C22 H16 N O6 -","- C88 H64 N4 O24 -","4","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0763","0.0478","","","0.1455","0.1634","","","","","","1.121","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153774","5.3381","0.0005","25.844","0.0019","11.069","0.001","90","","99.555","0.007","90","","1505.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 S4 -","- C14 H17 N3 S4 -","- C56 H68 N12 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.1176","0.0579","","","0.1453","0.164","","","","","","1.011","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153775","6.3081","0.0014","8.1474","0.0016","22.67","0.005","94.79","0.03","96.73","0.02","92.57","0.02","1151.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 S4 Si2 -","- C18 H24 S4 Si2 -","- C36 H48 S8 Si4 -","2","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.1165","0.0555","","","0.0943","0.1139","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153776","6.7025","0.0005","19.621","0.002","20.267","0.003","90","","90","","90","","2665.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N6 S4 -","- C26 H22 N6 S4 -","- C104 H88 N24 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.0876","0.0482","","","0.0789","0.0923","","","","","","1.125","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153777","9.7854","0.0006","11.173","0.0007","11.332","0.0005","70.909","0.004","81.108","0.004","68.833","0.004","1090.88","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 B F4 N3 S4 -","- C18 H18 B F4 N3 S4 -","- C36 H36 B2 F8 N6 S8 -","2","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.0804","0.0657","","","0.2094","0.2255","","","","","","1.132","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153778","4.8956","0.0002","18.524","0.0006","12.7557","0.0004","90","","100.433","0.002","90","","1137.64","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br N2 -","- C13 H8 Br N2 -","- C52 H32 Br4 N8 -","4","1","","Qin, Wen-Bing; Zhu, Jia-Yi; Kong, Yu-Bo; Bao, Yun-Hong; Chen, Zheng-Wang; Liu, Liang-Xian","Metal-free (Boc)2O-mediated C4-selective direct indolation of pyridines using TEMPO.","Organic & biomolecular chemistry","2014","12","24","4252","4259","10.1039/c4ob00356j","","","0.71073","MoKα","","0.12","0.0464","","","0.1088","0.1351","","","","","","0.985","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153779","5.4783","0.0005","6.9229","0.0006","18.7771","0.0017","90","","95.059","0.003","90","","709.36","0.11","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(Diethylphosphino)-1-(4-trifluoromethylphenyl)-1H-1,2,3-triazole","","- C13 H15 F3 N3 P -","- C13 H15 F3 N3 P -","- C26 H30 F6 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0523","0.0427","","","0.0979","0.1029","","","","","","1.111","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153780","10.0928","0.0003","10.6178","0.0003","17.3125","0.0005","90","","98.415","0.002","90","","1835.29","0.09","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-(diphenylphosphino)-1H-1,2,3-triazole","","- C21 H18 N3 P -","- C21 H18 N3 P -","- C84 H72 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0531","0.0375","","","0.0942","0.105","","","","","","1.039","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153781","5.7216","0.0002","12.5095","0.0005","12.5281","0.0005","86.643","0.002","79.834","0.002","82.749","0.002","874.95","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Bromophenyl)-4-(diphenylphosphino)-1H-1,2,3-triazole","","- C20 H15 Br N3 P -","- C20 H15 Br N3 P -","- C40 H30 Br2 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0368","0.0271","","","0.0597","0.063","","","","","","1.033","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153782","15.819","0.0003","7.2629","0.0001","13.1199","0.0002","90","","94.554","0.001","90","","1502.61","0.04","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Anisyl)-4-(diethylphosphino-borane)-1H-1,2,3-triazole","","- C13 H21 B N3 O P -","- C13 H21 B N3 O P -","- C52 H84 B4 N12 O4 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0626","0.0434","","","0.1236","0.1454","","","","","","1.047","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153783","7.6993","0.0002","10.2355","0.0003","11.5727","0.0005","105.331","0.002","104.973","0.002","107.292","0.002","781.55","0.05","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Bromophenyl)-4-(diethylphosphino-borane)-1H-1,2,3-triazole","","- C12 H18 B Br N3 P -","- C12 H18 B Br N3 P -","- C24 H36 B2 Br2 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0616","0.0429","","","0.1126","0.1234","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153784","11.4175","0.0003","15.1163","0.0004","23.4211","0.0007","90","","98.935","0.002","90","","3993.2","0.19","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 B Br N3 P -","- C20 H18 B Br N3 P -","- C160 H144 B8 Br8 N24 P8 -","8","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0584","0.0385","","","0.0936","0.1037","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153785","11.0128","0.0002","7.8943","0.0002","24.9976","0.0005","90","","90","","90","","2173.25","0.08","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(Diethylphosphino-borane)-1-([2.2]-paracyclophan-4-yl)-1H-1,2,3-triazole","","- C22 H29 B N3 P -","- C22 H29 B N3 P -","- C88 H116 B4 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0509","0.0431","","","0.1136","0.1195","","","","","","1.058","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153786","9.85","0.0002","11.141","0.0002","14.4209","0.0003","90","","90","","90","","1582.53","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-1-Benzyl-4-(methyl-tert-butylphosphino-borane)-1H-1,2,3-triazole","","- C14 H23 B N3 P -","- C14 H23 B N3 P -","- C56 H92 B4 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0396","0.0338","","","0.0799","0.0832","","","","","","1.076","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153787","10.2656","0.0005","20.674","0.001","9.0479","0.0004","90","","100.041","0.002","90","","1890.83","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorobis[1-benzyl-4-(di-tert-butylphosphino)-1H-1,2,3-triazole]palladium(II)","","- C34 H52 Cl2 N6 P2 Pd -","- C34 H52 Cl2 N6 P2 Pd -","- C68 H104 Cl4 N12 P4 Pd2 -","2","0.5","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0221","0.0196","","","0.0508","0.0531","","","","","","1.053","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153788","9.2345","0.0001","10.4403","0.0001","15.8938","0.0002","90","","90","","90","","1532.34","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 N4 O3 -","- C12 H22 N4 O3 -","- C48 H88 N16 O12 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0265","0.0261","","","0.0674","0.0677","","","","","","1.069","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153789","10.243","0.0002","10.7344","0.0002","17.94","0.0004","90","","97.2641","0.0019","90","","1956.72","0.07","150.06","0.15","150.06","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N5 O4 -","- C16 H29 N5 O4 -","- C64 H116 N20 O16 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","0.7107","MoKα","","0.0587","0.0415","","","0.0888","0.0987","","","","","","1.017","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153790","11.2952","0.0007","12.9363","0.0009","18.6722","0.0012","108.58","0.003","96.72","0.003","104.173","0.003","2450.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 N6 O5 -","- C20 H36 N6 O5 -","- C80 H144 N24 O20 -","4","2","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0733","0.069","","","0.1838","0.1897","","","","","","1.097","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153791","13.6156","0.0004","10.7583","0.0003","15.9339","0.0005","90","","114.869","0.001","90","","2117.58","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 N6 O5 -","- C17 H30 N6 O5 -","- C68 H120 N24 O20 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0394","0.0376","","","0.0981","0.0995","","","","","","1.059","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153792","11.3347","0.0004","16.1397","0.0005","16.8748","0.0006","62.527","0.002","85.251","0.002","81.446","0.002","2708.1","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H39 N7 O7 -","- C21 H39 N7 O7 -","- C84 H156 N28 O28 -","4","2","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0533","0.0438","","","0.1158","0.1245","","","","","","1.046","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153793","21.6553","0.0009","21.6553","0.0009","9.8316","0.0006","90","","90","","120","","3992.9","0.3","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C22 H16 Cl N5 O2 -","- C22 H16 Cl N5 O2 -","- C132 H96 Cl6 N30 O12 -","6","1","","Huang, Xiao-Fei; Zhang, Ya-Fei; Qi, Zheng-Hang; Li, Nai-Kai; Geng, Zhi-Cong; Li, Kun; Wang, Xing-Wang","Organocatalytic enantioselective construction of multi-functionalized spiro oxindole dienes.","Organic & biomolecular chemistry","2014","12","25","4372","4385","10.1039/c4ob00545g","","","0.71073","MoKα","","0.0659","0.0527","","","0.1345","0.1417","","","","","","0.995","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153794","8.103","0.008","12.083","0.012","11.663","0.011","90","","101.473","0.008","90","","1119.1","1.9","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 F6 N5 P -","- C5 H10 F6 N5 P -","- C20 H40 F24 N20 P4 -","4","1","","Kitamura, Mitsuru; Kato, So; Yano, Masakazu; Tashiro, Norifumi; Shiratake, Yuichiro; Sando, Mitsuyoshi; Okauchi, Tatsuo","A reagent for safe and efficient diazo-transfer to primary amines: 2-azido-1,3-dimethylimidazolinium hexafluorophosphate.","Organic & biomolecular chemistry","2014","12","25","4397","4406","10.1039/c4ob00515e","","","0.71075","MoKα","","","0.1511","","","","0.4401","","","","","","3.752","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153795","12.9282","0.0005","13.3172","0.0006","6.654","0.0003","90","","102.29","0.001","90","","1119.35","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","","Chen, Jianbin; Natte, Kishore; Spannenberg, Anke; Neumann, Helfried; Beller, Matthias; Wu, Xiao-Feng","Efficient palladium-catalyzed double carbonylation of o-dibromobenzenes: synthesis of thalidomide.","Organic & biomolecular chemistry","2014","12","30","5578","5581","10.1039/c4ob00796d","","","0.71073","MoKα","","0.0641","0.0432","","","0.1058","0.1185","","","","","","1.025","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153796","8.1246","0.0003","9.2109","0.0003","14.8139","0.0005","90","","90","","90","","1108.6","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F N2 O2 -","- C11 H13 F N2 O2 -","- C44 H52 F4 N8 O8 -","4","1","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","Asymmetric synthesis of tetrahydroquinolines through supramolecular organocatalysis.","Organic & biomolecular chemistry","2014","12","25","4300","4304","10.1039/c4ob00570h","","","1.54184","CuKα","","0.0497","0.0467","","","0.1298","0.134","","","","","","1.032","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153797","10.393","0.003","26.134","0.007","7.767","0.002","90","","109.958","0.013","90","","1982.9","0.9","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 O6 -","- C22 H18 N4 O6 -","- C88 H72 N16 O24 -","4","1","","Sharma, Sanyog; Hundal, Maninder Singh; Walia, Amandeep; Vanita, Vanita; Hundal, Geeta","Nanomolar fluorogenic detection of Al(iii) by a series of Schiff bases in an aqueous system and their application in cell imaging.","Organic & biomolecular chemistry","2014","12","25","4445","4453","10.1039/c4ob00329b","","","0.71073","MoKα","","0.1365","0.0542","","","0.1236","0.1667","","","","","","0.91","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153798","16.1494","0.0015","16.1494","0.0015","15.1345","0.0014","90","","90","","120","","3418.3","0.5","296","2","296","2","","","","","","","","6","P 65","P 65","170","","","","- C21 H24 F N O2 S -","- C21 H24 F N O2 S -","- C126 H144 F6 N6 O12 S6 -","6","1","","Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Highly efficient and generalized asymmetric synthesis of quaternary stereogenic carbon-containing β-amino indanones/indanoles via Mannich-type additions between 1-indanones and N-tert-butanesulfinylketimines.","Organic & biomolecular chemistry","2014","12","26","4620","4627","10.1039/c4ob00489b","","","0.71073","MoKα","","0.0402","0.0357","","","0.0983","0.1016","","","","","","1.035","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153799","12.6638","0.0017","16.757","0.002","22.426","0.003","90","","91.22","0.003","90","","4757.9","1.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N5 -","- C27 H25 N5 -","- C216 H200 N40 -","8","2","","Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming","DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.","Organic & biomolecular chemistry","2014","12","26","4628","4632","10.1039/c4ob00012a","","","0.71073","MoKα","","0.0816","0.0655","","","0.1325","0.1413","","","","","","1.116","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153800","13.772","0.0012","27.468","0.002","13.3251","0.0013","90","","90","","90","","5040.7","0.8","298","2","298","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C28 H28 N3 O2 -","- C28 H28 N3 O2 -","- C224 H224 N24 O16 -","8","","","Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming","DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.","Organic & biomolecular chemistry","2014","12","26","4628","4632","10.1039/c4ob00012a","","","0.71073","MoKα","","0.1451","0.0729","","","0.1624","0.1812","","","","","","1.099","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153801","10.7869","0.0004","21.5015","0.0008","8.1152","0.0005","90","","110.098","0.001","90","","1767.58","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Saravanan, Thangavelu; Jana, Sushital; Chadha, Anju","Utilization of whole cell mediated deracemization in a chemoenzymatic synthesis of enantiomerically enriched polycyclic chromeno[4,3-b] pyrrolidines.","Organic & biomolecular chemistry","2014","12","26","4682","4690","10.1039/c4ob00615a","","","0.71073","MoKα","","0.0704","0.0463","","","0.1119","0.1318","","","","","","1.078","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153802","8.0279","0.0007","10.048","0.0008","11.5774","0.0009","111.22","0.003","99.322","0.003","101.074","0.003","826.55","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Saravanan, Thangavelu; Jana, Sushital; Chadha, Anju","Utilization of whole cell mediated deracemization in a chemoenzymatic synthesis of enantiomerically enriched polycyclic chromeno[4,3-b] pyrrolidines.","Organic & biomolecular chemistry","2014","12","26","4682","4690","10.1039/c4ob00615a","","","0.71073","MoKα","","0.0586","0.0376","","","0.0903","0.1072","","","","","","1.071","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153804","16.9504","0.0014","11.2305","0.001","9.1731","0.0009","90","","103.305","0.01","90","","1699.3","0.3","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek","Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes.","Organic & biomolecular chemistry","2014","12","20","3211","3221","10.1039/c4ob00411f","","","1.54184","CuKα","","0.0603","0.0582","","","0.1438","0.1464","","","","","","1.029","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153805","8.9866","0.0003","9.162","0.0003","13.9462","0.0005","93.732","0.003","95.624","0.003","115.839","0.004","1021.01","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C28.5 H21 N O -","- C28.5 H21 N O -","- C57 H42 N2 O2 -","2","1","","King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek","Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes.","Organic & biomolecular chemistry","2014","12","20","3211","3221","10.1039/c4ob00411f","","","1.54184","CuKα","","0.0628","0.0585","","","0.1585","0.1632","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153806","4.896","","11.351","","21.44","","90","","90","","90","","1191.52","","97","2","97","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0407","0.035","","","0.0749","0.0778","","","","","","1.054","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153807","21.18","0.003","3.9011","0.0006","16.838","0.002","90","","94.004","0.009","90","","1387.8","0.3","97","2","97","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0955","0.0529","","","0.1185","0.139","","","","","","0.973","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153808","14.514","0.003","8.703","0.0019","21.592","0.005","90","","109.575","0.008","90","","2569.8","1","97","2","97","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C128 H80 Cl8 N8 O16 -","8","2","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.1221","0.0743","","","0.1808","0.2146","","","","","","1.033","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153809","5.3737","0.0008","10.8985","0.0017","11.5417","0.0018","98.268","0.005","99.008","0.005","100.544","0.005","645.9","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C32 H20 Cl2 N2 O4 -","2","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0602","0.0551","","","0.1913","0.1984","","","","","","1.056","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153810","11.728","0.004","16.825","0.005","7.205","0.003","90","","104.87","0.02","90","","1374.1","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.1581","0.0822","","","0.1796","0.2125","","","","","","0.973","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153811","10.318","0.0011","12.8037","0.0014","10.6038","0.0011","90","","112.706","0.001","90","","1292.3","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0553","0.0405","","","0.1058","0.1153","","","","","","1.02","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153812","7.7674","0.0011","9.4798","0.0013","9.7608","0.0014","103.452","0.002","95.382","0.002","93.343","0.002","693.53","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C32 H32 Br2 N2 O4 -","2","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0755","0.0428","","","0.0837","0.0956","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153813","9.1314","0.0013","12.4725","0.0018","12.8711","0.0018","90","","90","","90","","1465.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0948","0.0462","","","0.0796","0.0969","","","","","","0.975","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153814","4.933","0.0002","15.0363","0.0007","18.3873","0.0009","90","","91.938","0.005","90","","1363.08","0.11","100","1","100","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0582","0.0445","","","0.1016","0.109","","","","","","1.072","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153815","4.9093","0.0005","14.694","0.002","19.032","0.002","90","","90","","90","","1372.9","0.3","290","1","290","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.1205","0.0669","","","0.1516","0.1926","","","","","","0.863","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153816","27.7895","0.0008","27.7895","0.0008","8.9482","0.0003","90","","90","","120","","5984.5","0.3","120","1","120","1","","","","","","","see text","4","R -3 :H","-R 3","148","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C306 H252 N36 O18 -","18","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0679","0.0509","","","0.1518","0.1644","","","","","","1.083","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153817","5.4152","0.0004","15.1404","0.0014","15.678","0.0011","90","","90","","90","","1285.41","0.18","120","1","120","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.1538","0.0709","","","0.1005","0.1304","","","","","","0.915","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153818","4.0054","0.0004","15.3131","0.0018","9.7743","0.0008","90","","95.953","0.01","90","","596.27","0.1","290","1","290","1","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C32 H24 N4 O2 -","2","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0965","0.0589","","","0.1151","0.1391","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153819","4.9825","0.0003","14.7961","0.0009","15.1704","0.0008","90","","92.397","0.005","90","","1117.41","0.11","290","1","290","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0793","0.0661","","","0.1844","0.2007","","","","","","1.073","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153820","19.347","0.003","10.2965","0.0008","12.7704","0.0019","90","","105.329","0.015","90","","2453.4","0.6","200","","200","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","4-(Benzyloxy)-8-(methyl)-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]- 7,8-dihydrofuro[2,3-e]indol","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","El-Deeb, Ibrahim M; Rose, Faith J.; Healy, Peter C.; von Itzstein, Mark","A versatile synthesis of ""tafuramycin A"": a potent anticancer and parasite attenuating agent.","Organic & biomolecular chemistry","2014","12","24","4260","4264","10.1039/c4ob00842a","","x-ray","0.7107","MoKα","","0.287","0.0922","","","0.1759","0.2699","","","","","","0.957","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153821","8.3045","0.0003","10.2673","0.0004","12.5079","0.0005","86.717","0.001","86.377","0.001","82.051","0.001","1052.85","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 I O4 S -","- C22 H19 I O4 S -","- C44 H38 I2 O8 S2 -","2","1","","Hamnett, David J.; Moran, Wesley J.","Improving alkynyl(aryl)iodonium salts: 2-anisyl as a superior aryl group.","Organic & biomolecular chemistry","2014","12","24","4156","4162","10.1039/c4ob00556b","","","0.71073","","","0.0235","0.0203","","","0.0486","0.0507","","","","","","1.087","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153822","21.6473","0.0008","7.6201","0.0003","13.154","0.0004","90","","123.262","0.004","90","","1814.34","0.14","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H22 Cl Li N2 O3 -","- C18 H22 Cl Li N2 O3 -","- C72 H88 Cl4 Li4 N8 O12 -","4","1","","Ziach, K.; Kulesza, A.; Jurczak, J.","Fast imine equilibration and its consequences for the evaluation of dynamic combinatorial libraries.","Organic & biomolecular chemistry","2014","12","23","3827","3830","10.1039/c4ob00507d","","","0.71073","MoKα","","0.0299","0.0233","","","0.0466","0.0474","","","","","","0.933","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153823","10.5637","0.0003","13.2734","0.0003","20.6274","0.0005","90","","90","","90","","2892.3","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O5 -","- C30 H54 O5 -","- C120 H216 O20 -","4","1","","Yu, Jin-Hai; Shen, Yu; Liu, Hong-Bing; Leng, Ying; Zhang, Hua; Yue, Jian-Min","Dammarane-type triterpenoids as 11β-HSD1 inhibitors from Homonoia riparia.","Organic & biomolecular chemistry","2014","12","26","4716","4722","10.1039/c4ob00807c","","","1.54178","CuKα","","0.0674","0.0606","","","0.1672","0.1746","","","","","","1.037","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153827","20.3874","0.0008","6.9055","0.0003","12.3088","0.0005","90","","90","","90","","1732.9","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H20 I N O -","- C19 H20 I N O -","- C76 H80 I4 N4 O4 -","4","0.5","","Han, Qingxin; Shi, Zhaohua; Tang, Xiaoliang; Yang, Lizi; Mou, Zuolin; Li, Jing; Shi, Jinmin; Chen, Chunyang; Liu, Wei; Yang, Huan; Liu, Weisheng","A colorimetric and ratiometric fluorescent probe for distinguishing cysteine from biothiols in water and living cells.","Organic & biomolecular chemistry","2014","12","27","5023","5030","10.1039/c4ob00463a","","","0.71073","MoKα","","0.0348","0.0311","","","0.1247","0.1328","","","","","","1.013","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153828","8.6589","0.0007","10.1791","0.0006","15.9766","0.0012","90","","90","","90","","1408.17","0.18","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","MoKα","","0.0458","0.0401","","","0.0991","0.1029","","","","","","1.044","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153829","8.7331","0.0006","14.7237","0.0011","11.9048","0.0009","90","","92.545","0.003","90","","1529.25","0.19","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C76 H80 N8 -","4","1","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","MoKα","","0.0719","0.0453","","","0.1213","0.1448","","","","","","1.068","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153830","20.666","0.0016","9.5448","0.0006","20.3329","0.0018","90","","117.451","0.005","90","","3559.1","0.5","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C184 H160 N16 -","8","2","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","","","0.0946","0.0517","","","0.1089","0.1293","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153831","9.401","0.004","9.421","0.004","10.588","0.005","108.301","0.01","93.15","0.009","94.391","0.01","884.6","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O -","- C20 H32 O -","- C40 H64 O2 -","2","1","","Wang, Xian-Lei; Lu, Yun-Yu; Wang, Jie; Wang, Xuan; Yao, He-Quan; Lin, Guo-Qiang; Sun, Bing-Feng","A novel synthetic approach to the bicyclo[5.3.1]undecan-11-one framework of vinigrol.","Organic & biomolecular chemistry","2014","12","22","3562","3566","10.1039/c4ob00046c","","","0.71073","MoKα","","0.1161","0.0859","","","0.2026","0.2205","","","","","","1.091","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153832","10.6542","0.0002","20.3405","0.0004","16.8979","0.0004","90","","97.027","0.002","90","","3634.47","0.13","120","","120","","","","101","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C144 H156 Cl4 Hg4 O16 S16 -","4","2","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.54184","CuKα","","0.0607","0.0509","","0.1324","0.1192","0.1324","","","","","","0.9277","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153833","39.4696","0.0005","39.4696","0.0005","21.8104","0.0004","90","","90","","90","","33977.3","0.9","120","","120","","","","101","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C1152 H1248 Cl32 Hg32 O128 S128 -","32","2","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.54184","CuKα","","0.0947","0.0786","","0.2476","0.2225","0.2475","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153834","18.1361","0.0009","11.0596","0.0005","20.1127","0.0009","90","","115.888","0.006","90","","3629.3","0.3","180","","180","","","","101","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C144 H156 Cl4 Hg4 O16 S16 -","4","1","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.5418","CuKα","","0.12","0.1076","","0.3006","0.2934","0.3006","","","","","","0.989","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153835","23.832","0.002","11.4009","0.001","7.7827","0.0007","90","","95.137","0.002","90","","2106.1","0.3","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Xia, Likai; Cai, Hongyun; Lee, Yong Rok","Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines.","Organic & biomolecular chemistry","2014","12","25","4386","4396","10.1039/c4ob00691g","","","0.71073","MoKα","","0.098","0.0568","","","0.1256","0.1677","","","","","","0.993","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153836","16.2287","0.0009","6.0601","0.0004","18.4712","0.001","90","","91.608","0.001","90","","1815.88","0.18","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 O5 -","- C23 H18 O5 -","- C92 H72 O20 -","4","1","","Xia, Likai; Cai, Hongyun; Lee, Yong Rok","Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines.","Organic & biomolecular chemistry","2014","12","25","4386","4396","10.1039/c4ob00691g","","","0.71073","MoKα","","0.1133","0.0518","","","0.1109","0.1623","","","","","","1.01","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153837","5.5701","0.0004","9.012","0.0006","33.683","0.002","90","","90","","90","","1690.81","0.19","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Su, Cunxiang; Xie, Ying; Pan, Hongjie; Liu, Mao; Tian, Hua; Shi, Yian","Organocatalytic synthesis of optically active β-branched α-amino esters via asymmetric biomimetic transamination.","Organic & biomolecular chemistry","2014","12","31","5856","5860","10.1039/c4ob00684d","","","0.71073","MoKα","","0.0671","0.0531","","","0.1152","0.1257","","","","","","1.116","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153838","15.9577","0.0007","6.3713","0.0003","17.8868","0.0008","90","","97.0337","0.0015","90","","1804.89","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Brockmeyer, Fabian; Schoemaker, Robin; Schmidtmann, Marc; Martens, Jürgen","Multicomponent reaction for the first synthesis of 2,2-dialkyl- and 2-alkyl-2-aralkyl-5,6-diaryl-2H-1,3-thiazines as scaffolds for various 3,4-dihydro-2H-1,3-thiazine derivatives.","Organic & biomolecular chemistry","2014","12","28","5168","5181","10.1039/c4ob00866a","","","0.71073","MoKα","","0.0394","0.0325","","","0.1245","0.1351","","","","","","1.124","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153839","9.8941","0.0017","19.167","0.003","14.2","0.002","90","","102.8","0.003","90","","2626","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N2 O2 S -","- C33 H26 N2 O2 S -","- C132 H104 N8 O8 S4 -","4","1","","Zhu, Yu; Hong, Jun-Jie; Zhou, Yun-Bin; Xiao, Yu-Wei; Lin, Min; Zhan, Zhuang-Ping","Selective synthesis of 4-(sulfonyl)-methyl-1H-pyrazoles and (E)-4,5-dihydro-1H-pyrazoles from N-allenic sulfonylhydrazones.","Organic & biomolecular chemistry","2014","12","23","3797","3801","10.1039/c4ob00550c","","","0.71073","MoKα","","0.0679","0.0606","","","0.1466","0.1512","","","","","","1.142","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153840","6.4719","0.0005","8.7411","0.0006","10.9321","0.0008","110.196","0.004","95.635","0.004","101.286","0.004","559.89","0.07","193","2","193","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C24 H32 O8 -","2","1","","Ruiz, Jérémy; Mallet-Ladeira, Sonia; Maynadier, Marjorie; Vial, Henri; André-Barrès, Christiane","Design, synthesis and evaluation of new tricyclic endoperoxides as potential antiplasmodial agents.","Organic & biomolecular chemistry","2014","12","28","5212","5221","10.1039/c4ob00787e","","x-ray","0.71073","MoKα","","0.051","0.0379","","","0.0961","0.1055","","","","","","1.036","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153841","6.5048","0.0005","20.2812","0.0016","8.3695","0.0006","90","","99.728","0.004","90","","1088.27","0.14","193","2","193","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","","Ruiz, Jérémy; Mallet-Ladeira, Sonia; Maynadier, Marjorie; Vial, Henri; André-Barrès, Christiane","Design, synthesis and evaluation of new tricyclic endoperoxides as potential antiplasmodial agents.","Organic & biomolecular chemistry","2014","12","28","5212","5221","10.1039/c4ob00787e","","x-ray","0.71073","MoKα","","0.056","0.0372","","","0.0826","0.0908","","","","","","1.027","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153842","10.8379","0.0002","7.0007","0.0001","18.8456","0.0003","90","","92.548","0.001","90","","1428.46","0.04","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Lim, Zelong; Duggan, Peter J.; Meyer, Adam G.; Tuck, Kellie L.","An iterative in silico and modular synthetic approach to aqueous soluble tercyclic α-helix mimetics.","Organic & biomolecular chemistry","2014","12","25","4432","4444","10.1039/c4ob00647j","","","0.71073","MoKα","","0.0418","0.0369","","","0.0964","0.1","","","","","","1.042","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153843","12.9066","0.0005","7.1171","0.0002","15.1189","0.0006","90","","101.461","0.002","90","","1361.09","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Lim, Zelong; Duggan, Peter J.; Meyer, Adam G.; Tuck, Kellie L.","An iterative in silico and modular synthetic approach to aqueous soluble tercyclic α-helix mimetics.","Organic & biomolecular chemistry","2014","12","25","4432","4444","10.1039/c4ob00647j","","","0.71073","MoKα","","0.0471","0.0386","","","0.1048","0.1118","","","","","","1.036","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153845","8.4371","0.0003","8.7423","0.0003","14.5956","0.0007","105.766","0.003","98.497","0.004","99.551","0.003","1000.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-(1-(5-oxo-1-phenyl-3-propyl-2-thioxoimidazolidin-4-yl)ethylidene)- hydrazinecarboxamide x ethanol","","- C17 H25 N5 O3 S -","- C17 H25 N5 O3 S -","- C34 H50 N10 O6 S2 -","2","1","","Attanasi, Orazio A.; Favi, Gianfranco; Giorgi, Gianluca; Majer, Roberta; Perrulli, Francesca Romana; Santeusanio, Stefania","Access to novel imidazo[1,5-a]pyrazine scaffolds by the combined use of a three-component reaction and a base-assisted intramolecular cyclization.","Organic & biomolecular chemistry","2014","12","26","4610","4619","10.1039/c4ob00676c","","","0.71073","MoKα","","0.0655","0.0429","","","0.1175","0.1247","","","","","","1.006","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153846","6.4597","0.0004","9.7895","0.0006","10.0741","0.0005","70.729","0.002","76.156","0.002","79.307","0.002","579.93","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 1","P 1","1","","","","- C25 H25 Br O5 -","- C25 H25 Br O5 -","- C25 H25 Br O5 -","1","1","","Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J","Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters.","Organic & biomolecular chemistry","2014","12","28","5071","5076","10.1039/c4ob00682h","","","0.71073","MoKα","","0.0285","0.0252","","","0.0506","0.0517","","","","","","1.045","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153847","9.6739","0.0003","8.7077","0.0003","12.2435","0.0004","90","","99.661","0.001","90","","1016.73","0.06","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C48 H52 O8 -","2","1","","Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J","Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters.","Organic & biomolecular chemistry","2014","12","28","5071","5076","10.1039/c4ob00682h","","","0.71073","MoKα","","0.0408","0.0366","","","0.0919","0.0943","","","","","","1.054","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153848","5.6964","0.0003","12.6163","0.0005","12.8565","0.0007","90","","90","","90","","923.96","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Pratap Reddy Gajulapalli, V.; Vinayagam, Poopathy; Kesavan, Venkitasamy","Organocatalytic asymmetric decarboxylative cyanomethylation of isatins using l-proline derived bifunctional thiourea.","Organic & biomolecular chemistry","2014","12","24","4186","4191","10.1039/c4ob00271g","","","0.71073","MoKα","","0.0337","0.031","","","0.0847","0.0863","","","","","","1.081","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153849","21.6481","0.0007","18.688","0.0006","24.7513","0.0008","90","","111.211","0.0014","90","","9335","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[2]pseudorotaxane Ph2IMPh-COOMe BF4","","","- C49 H54 B F4 N3 O10 -","- C49 H54 B F4 N3 O10 -","- C392 H432 B8 F32 N24 O80 -","8","2","","Farahani, Nasim; Zhu, Kelong; Noujeim, Nadim; Loeb, Stephen J.","[2]Pseudorotaxane formation between rigid Y-shaped 2,4,5-triphenylimidazolium axles and [24]crown-8 ether wheels.","Organic & biomolecular chemistry","2014","12","27","4824","4827","10.1039/c4ob00975d","","","1.54178","","","0.0692","0.0577","","","0.1439","0.1557","","","","","","1.01","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153850","18.6832","0.0015","9.6574","0.0008","22.636","0.003","90","","108.894","0.003","90","","3864.2","0.7","199","2","199","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 O7 -","- C23 H18 O7 -","- C184 H144 O56 -","8","1","","Mehrparvar, Saber; Balalaie, Saeed; Rabbanizadeh, Mahnaz; Rominger, Frank; Ghabraie, Elmira","Synthesis of functionalized chromones through sequential reactions in aqueous media.","Organic & biomolecular chemistry","2014","12","30","5757","5765","10.1039/c4ob00618f","","","0.71073","MoKα","","0.0714","0.0611","","","0.1502","0.1583","","","","","","1.054","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153851","7.0639","0.0016","12.459","0.003","14.36","0.003","90","","99.692","0.002","90","","1245.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3aE0","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Yamamoto, Hiroaki; Ohkubo, Kei; Akimoto, Seiji; Fukuzumi, Shunichi; Tsuda, Akihiko","Control of reaction pathways in the photochemical reaction of a quinone with tetramethylethylene by metal binding.","Organic & biomolecular chemistry","2014","12","36","7004","7017","10.1039/c4ob00659c","","","0.71073","MoKα","","0.0564","0.0455","","","0.1584","0.172","","","","","","1.227","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153852","9.4849","0.0008","18.4276","0.0016","19.2588","0.0017","90","","92.1781","0.0015","90","","3363.7","0.5","110","2","110","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 F12 N2 O2 S2 -","- C34 H28 F12 N2 O2 S2 -","- C136 H112 F48 N8 O8 S8 -","4","1","","Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","Arylpyrrole oligomers as tunable anion receptors.","Organic & biomolecular chemistry","2014","12","29","5492","5499","10.1039/c4ob00357h","","","0.71073","MoKα","","0.0571","0.0435","","","0.1083","0.1182","","","","","","1.088","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153853","17.1963","0.0019","22.354","0.003","24.519","0.003","90","","97.389","0.002","90","","9347","2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H55 F12 N3 O2 -","- C48 H55 F12 N3 O2 -","- C384 H440 F96 N24 O16 -","8","2","","Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","Arylpyrrole oligomers as tunable anion receptors.","Organic & biomolecular chemistry","2014","12","29","5492","5499","10.1039/c4ob00357h","","","0.710747","MoKα","","0.2555","0.1229","","","0.2082","0.2581","","","","","","1.07","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153854","11.6001","0.0009","11.9543","0.0008","38.07","0.002","92.117","0.005","95.202","0.006","109.608","0.007","4939.8","0.6","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C116 H130 Br N7 O11 -","- C116 H130 Br N7 O11 -","- C232 H260 Br2 N14 O22 -","2","1","","White, Nicholas G.; Colaço, Ana R; Marques, Igor; Félix, Vítor; Beer, Paul D.","Halide selective anion recognition by an amide-triazolium axle containing [2]rotaxane.","Organic & biomolecular chemistry","2014","12","27","4924","4931","10.1039/c4ob00801d","","","0.6889","synchrotron","","0.1692","0.1407","","0.3363","0.3239","0.3363","","","","","","1.0893","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153855","8.573","0.006","11.482","0.007","12.279","0.009","98.521","0.011","109.56","0.011","92.004","0.007","1121.7","1.3","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C44 H46 N6 O10 -","2","1","","Pandey, Shashi; Kumar, S. Vinod; Kant, Ruchir; Chauhan, Prem M. S.","Base mediated 7-exo-dig intramolecular cyclization of Ugi-propargyl precursors: a highly efficient and regioselective synthetic approach toward diverse 1,4-benzoxazepine-5(2H)-ones.","Organic & biomolecular chemistry","2014","12","29","5346","5350","10.1039/c4ob00793j","","","0.71075","MoKα","","0.0894","0.0524","","","0.139","0.1648","","","","","","1.008","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153856","14.28","0.004","21.368","0.005","15.182","0.004","90","","98.213","0.004","90","","4585","2","293","2","293","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C208 H208 N16 O24 -","8","2","","Pandey, Shashi; Kumar, S. Vinod; Kant, Ruchir; Chauhan, Prem M. S.","Base mediated 7-exo-dig intramolecular cyclization of Ugi-propargyl precursors: a highly efficient and regioselective synthetic approach toward diverse 1,4-benzoxazepine-5(2H)-ones.","Organic & biomolecular chemistry","2014","12","29","5346","5350","10.1039/c4ob00793j","","","0.71075","MoKα","","0.082","0.0629","","","0.146","0.1587","","","","","","1.101","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153857","8.534","0.002","15.242","0.004","16.014","0.004","90","","90","","90","","2083","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 5-(tert-butylamino)-2-(4-nitrophenyl)-4-(thiophene-2-carbonyl) furan-3-carboxylate","","- C21 H20 N2 O6 S -","- C21 H20 N2 O6 S -","- C84 H80 N8 O24 S4 -","4","1","","Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom","Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans.","Organic & biomolecular chemistry","2014","12","28","5098","5101","10.1039/c4ob01037j","","","0.7107","MoKα","","0.0463","0.0347","","","0.08","0.0871","","","","","","1.047","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153858","10.104","0.002","10.104","0.002","17.905","0.004","90","","90","","120","","1583","0.6","293","2","293","2","","","","","","","","5","P 31","P 31","144","","methyl 2-(tert-butylamino)-5-(4-nitrophenyl)-4- (thiophene-2-carbonyl)furan-3-carboxylate","","- C21 H20 N2 O6 S -","- C21 H20 N2 O6 S -","- C63 H60 N6 O18 S3 -","3","1","","Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom","Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans.","Organic & biomolecular chemistry","2014","12","28","5098","5101","10.1039/c4ob01037j","","","0.7107","MoKα","","0.0522","0.0438","","","0.107","0.1136","","","","","","1.005","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153859","13.476","0.005","6.865","0.003","17.826","0.007","90","","104.273","0.007","90","","1598.2","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N2 O2 -","- C16 H15 Cl N2 O2 -","- C64 H60 Cl4 N8 O8 -","4","1","","Xin, Xiaoqing; Liu, Xu; Zhang, Dingyuan; Zhang, Rui; Liang, Yongjiu; Han, Fushe; Dong, Dewen","Divergent synthesis of 2,3-dihydro-1H-pyrroles, 3-alkyl-1H-pyrroles and 3-alkenyl-1H-pyrroles from 2,4-pentadienenitriles and isocyanides.","Organic & biomolecular chemistry","2014","12","29","5477","5483","10.1039/c4ob00912f","","","0.71073","MoKα","","0.1645","0.0834","","","0.1934","0.2409","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153860","8.8199","0.0008","12.7684","0.0012","13.8563","0.0013","90","","91.733","0.002","90","","1559.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Xin, Xiaoqing; Liu, Xu; Zhang, Dingyuan; Zhang, Rui; Liang, Yongjiu; Han, Fushe; Dong, Dewen","Divergent synthesis of 2,3-dihydro-1H-pyrroles, 3-alkyl-1H-pyrroles and 3-alkenyl-1H-pyrroles from 2,4-pentadienenitriles and isocyanides.","Organic & biomolecular chemistry","2014","12","29","5477","5483","10.1039/c4ob00912f","","","0.71073","MoKα","","0.0833","0.0545","","","0.1147","0.1276","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153861","9.259","0.005","13.478","0.005","15.399","0.005","90","0.005","90","0.005","90","0.005","1921.7","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20.25 H20.25 N2.25 O4.5 S0 -","- C22 H17 N O S2 -","- C88 H68 N4 O4 S8 -","4","1","","Srivastava, Abhijeet; Shukla, Gaurav; Nagaraju, Anugula; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Jones, Raymond C. F.; Singh, Maya Shankar","In(OTf)3-catalysed one-pot versatile pyrrole synthesis through domino annulation of α-oxoketene-N,S-acetals with nitroolefins.","Organic & biomolecular chemistry","2014","12","29","5484","5491","10.1039/c4ob00781f","","","0.71073","MoKα","","0.0764","0.0568","","","0.1476","0.1767","","","","","","0.586","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153862","30.216","0.002","5.9581","0.0004","26.7531","0.0016","90","","92.479","0.005","90","","4811.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 N O S -","- C31 H25 N O S -","- C248 H200 N8 O8 S8 -","8","1","","Srivastava, Abhijeet; Shukla, Gaurav; Nagaraju, Anugula; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Jones, Raymond C. F.; Singh, Maya Shankar","In(OTf)3-catalysed one-pot versatile pyrrole synthesis through domino annulation of α-oxoketene-N,S-acetals with nitroolefins.","Organic & biomolecular chemistry","2014","12","29","5484","5491","10.1039/c4ob00781f","","","0.71073","MoKα","","0.0829","0.05","","","0.102","0.1199","","","","","","1.032","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153863","6.7699","0.0004","8.2068","0.0005","15.1001","0.0009","90","","90","","90","","838.95","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2,2-dihydroxy-2-(5-oxotetrahydrofuran-2-yl)acetate","","- C7 H10 O6 -","- C7 H10 O6 -","- C28 H40 O24 -","4","1","","Sudhakar, Gangarajula; Bayya, Shruthi; Kadam, Vilas D.; Nanubolu, Jagadeesh Babu","Total synthesis of gonytolides C and G, lachnone C, and formal synthesis of blennolide C and diversonol.","Organic & biomolecular chemistry","2014","12","30","5601","5610","10.1039/c4ob00950a","","","0.71073","MoKα","","0.0297","0.0295","","","0.083","0.0831","","","","","","1.201","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153864","8.403","0.006","15.083","0.01","11.686","0.008","90","","98.565","0.006","90","","1464.6","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 O6 -","- C19 H12 O6 -","- C76 H48 O24 -","4","1","","Li, Jing; Hou, Zheng; Chen, Guang-Hui; Li, Fen; Zhou, Ying; Xue, Xiao-Yan; Li, Zhou-Peng; Jia, Min; Zhang, Zi-Dan; Li, Ming-Kai; Luo, Xiao-Xing","Synthesis, antibacterial activities, and theoretical studies of dicoumarols.","Organic & biomolecular chemistry","2014","12","29","5528","5535","10.1039/c4ob00772g","","","0.71073","MoKα","","0.0506","0.0447","","","0.1224","0.127","","","","","","1.115","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153865","11.6403","0.0009","14.5767","0.0011","16.4463","0.0012","90","","90","","90","","2790.6","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Cl4 Cu2 N4 O4 -","- C20 H32 Cl4 Cu2 N4 O4 -","- C80 H128 Cl16 Cu8 N16 O16 -","4","0.5","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.0354","0.0264","","","0.0676","0.0722","","","","","","1.042","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153866","10.506","0.005","12.627","0.006","12.057","0.005","90","","115.714","0.005","90","","1441.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Br2 Cu N2 O2 -","- C10 H16 Br2 Cu N2 O2 -","- C40 H64 Br8 Cu4 N8 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.1637","0.0581","","","0.1252","0.1699","","","","","","0.933","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153867","10.5479","0.0007","15.7383","0.0011","11.3501","0.0008","90","","99.802","0.001","90","","1856.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br2 Cu N3 O2 -","- C15 H19 Br2 Cu N3 O2 -","- C60 H76 Br8 Cu4 N12 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.0446","0.0282","","","0.0639","0.0702","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153868","14.4443","0.0015","6.1524","0.0006","14.5492","0.0015","90","","98.226","0.001","90","","1279.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.1085","0.0483","","","0.1086","0.1341","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153869","10.892","0.002","7.9279","0.0018","19.835","0.004","90","","90","","90","","1712.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 F N O2 -","- C10 H6 F N O2 -","- C80 H48 F8 N8 O16 -","8","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.068","0.0601","","","0.114","0.1175","","","","","","1.287","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153870","12.761","0.003","20.483","0.004","8.2482","0.0015","90","","98.692","0.003","90","","2131.2","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 F5 N O4 -","- C26 H14 F5 N O4 -","- C104 H56 F20 N4 O16 -","4","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.06","0.0548","","","0.1284","0.1316","","","","","","1.158","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153871","9.309","0.002","9.593","0.002","12.074","0.003","76.314","0.01","76.794","0.01","79.813","0.01","1011.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 F2 N O4 -","- C26 H17 F2 N O4 -","- C52 H34 F4 N2 O8 -","2","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.0597","0.0528","","","0.1158","0.1198","","","","","","1.133","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153872","18.3921","0.0007","18.3921","0.0007","23.2883","0.0017","90","","90","","120","","6822.3","0.6","296.24","0.11","296.24","0.11","","","","","","","","5","P 32","P 32","145","","","","- C17 H11 N3 O2 S -","- C17 H11 N3 O2 S -","- C306 H198 N54 O36 S18 -","18","6","","Zhu, Yi-Shuo; Shi, Benyi; Fang, Ran; Wang, Xiaoxuan; Jing, Huanwang","Palladium-catalyzed microwave-assisted direct arylation of imidazo[2,1-b]thiazoles with aryl bromides: synthesis and mechanistic study.","Organic & biomolecular chemistry","2014","12","30","5773","5780","10.1039/c4ob00600c","","","0.7107","MoKα","","0.1152","0.0619","","","0.1226","0.1433","","","","","","1.11","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153873","7.6554","0.0003","9.9905","0.0004","12.4133","0.0005","84.57","0.004","88.088","0.003","67.987","0.004","876.22","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N4 O6 S -","- C16 H20 N4 O6 S -","- C32 H40 N8 O12 S2 -","2","1","","Surya Prakash Rao, H.; Parthiban, A.","One-pot pseudo three-component reaction of nitroketene-N,S-acetals and aldehydes for synthesis of highly functionalized hexa-substituted 1,4-dihydropyridines.","Organic & biomolecular chemistry","2014","12","32","6223","6238","10.1039/c4ob00628c","","","0.71073","MoKα","","0.0636","0.0435","","","0.1295","0.1452","","","","","","0.997","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153874","11.976","0.0006","15.2085","0.0006","12.0589","0.0008","90","","106.923","0.006","90","","2101.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl0.25 N3 O5 -","- C20 H21 Cl N6 O4 -","- C80 H84 Cl4 N24 O16 -","4","1","","Surya Prakash Rao, H.; Parthiban, A.","One-pot pseudo three-component reaction of nitroketene-N,S-acetals and aldehydes for synthesis of highly functionalized hexa-substituted 1,4-dihydropyridines.","Organic & biomolecular chemistry","2014","12","32","6223","6238","10.1039/c4ob00628c","","","0.7107","MoKα","","0.1024","0.0509","","","0.0996","0.1166","","","","","","0.989","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153875","5.9134","0.0001","19.9075","0.0004","23.6392","0.0005","90","","90","","90","","2782.83","0.09","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β‒hydroxy‒16β‒(4‒phenyl‒1<i>H</i>‒1,2,3‒triazol‒1‒yl)‒ 17α‒hydroxy‒17β‒methyl‒D‒homoandrost‒5‒en‒17a‒one","","- C29 H37 N3 O3 -","- C29 H37 N3 O3 -","- C116 H148 N12 O12 -","4","1","","Kotovshchikov, Yury N.; Latyshev, Gennadij V.; Lukashev, Nikolay V.; Beletskaya, Irina P.","Synthesis of novel 1,2,3-triazolyl derivatives of pregnane, androstane and d-homoandrostane. Tandem ""click"" reaction/Cu-catalyzed d-homo rearrangement.","Organic & biomolecular chemistry","2014","12","22","3707","3720","10.1039/c4ob00404c","","","1.5418","CuKα","","0.0835","0.0465","","","0.1038","0.1158","","","","","","0.869","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153876","6.2213","0.0004","19.9582","0.0012","13.3944","0.0009","90","","93.326","0.007","90","","1660.33","0.18","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.0563","0.0441","","","0.1081","0.1161","","","","","","1.046","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153877","6.1765","0.0002","11.6169","0.0004","24.6124","0.0011","90","","96.136","0.004","90","","1755.87","0.11","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 -","- C25 H24 -","- C100 H96 -","4","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.0753","0.055","","","0.1161","0.1273","","","","","","1.068","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153878","19.1645","0.0014","5.9934","0.0005","29.725","0.003","90","","98.23","0.008","90","","3379.1","0.5","100.01","0.13","100.01","0.13","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C176 H176 O16 -","8","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.1203","0.0711","","","0.1416","0.1779","","","","","","1.055","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153879","7.2984","0.0019","10.981","0.003","10.041","0.003","90","","90.375","0.004","90","","804.7","0.4","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C32 H50 N2 O6 -","2","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0327","0.0314","","","0.0901","0.0916","","","","","","1.04","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153880","5.51","0.005","13.604","0.011","19.941","0.016","90","","90","","90","","1495","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0483","0.0411","","","0.1004","0.105","","","","","","1.014","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153881","5.4633","0.0008","11.8774","0.0017","12.69","0.0018","90","","93.632","0.002","90","","821.8","0.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C32 H50 N2 O10 -","2","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0251","0.025","","","0.0709","0.0712","","","","","","1.052","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153882","11.7026","0.0004","9.9471","0.0003","28.8577","0.0012","90","","90","","90","","3359.2","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(1-Oxo-2,2,6,6-tetramethylpiperidin-4-yl)-pivalamide","","- C14 H27 N2 O2 -","- C14 H27 N2 O2 -","- C112 H216 N16 O16 -","8","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.7107","MoKα","","0.0693","0.0507","","","","0.1554","","","","","","1.0712","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153883","11.94158","0.00018","12.0243","0.0002","11.31901","0.00019","90","","90","","90","","1625.29","0.05","293","1","293","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-tert-Butoxycarbonylamino-2,2,6,6-tetramethylpiperidin-1-oxid","","- C14 H27 N2 O3 -","- C14 H27 N2 O3 -","- C56 H108 N8 O12 -","4","0.5","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.064","0.058","","","0.1661","0.1727","","","","","","1.076","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153884","11.9401","0.0007","11.3109","0.0007","10.5933","0.0005","90","","90","","90","","1430.66","0.14","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3-(2,2,2-Trifluoroacetylamino)-2,2,5,5-tetramethylpyrrolidin-1-oxid","","- C11 H18 F3 N2 O2 -","- C11 H18 F3 N2 O2 -","- C44 H72 F12 N8 O8 -","4","0.5","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0879","0.0664","","","0.1805","0.2075","","","","","","1.094","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153885","8.28928","0.00018","19.4108","0.0004","26.6839","0.0005","90","","90","","90","","4293.48","0.15","293","1","293","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetyl-N, N-bis-(1-oxo-2,2,6,6-tetramethylpiperidin-4-yl)-amine","","- C20 H37 N3 O3 -","- C20 H37 N3 O3 -","- C160 H296 N24 O24 -","8","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0582","0.0498","","","0.1366","0.1435","","","","","","1.069","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153886","14.2418","0.0004","9.4098","0.0002","19.498","0.0006","90","","103.412","0.003","90","","2541.71","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2,2,2-Trifluoroacetyl)-N,N-bis- (1-oxo-2,2,6,6-tetramethylpiperidin-4-yl)-amine 1/2 ethanol hemihydrat","","- C21 H38 F3 N3 O4 -","- C21 H38 F3 N3 O4 -","- C84 H152 F12 N12 O16 -","4","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0681","0.0573","","","0.169","0.1837","","","","","","1.03","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153887","8.8826","0.0008","9.7822","0.0008","20.8708","0.0018","90","","90","","90","","1813.5","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 3-(4-chlorophenyl)-2-cyano-2,3-dihydronaphtho[1,2-b]furan-2-carbimidate","","- C21 H15 Cl N2 O2 -","- C21 H15 Cl N2 O2 -","- C84 H60 Cl4 N8 O8 -","4","1","","Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu","""One-pot"" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans.","Organic & biomolecular chemistry","2014","12","25","4412","4420","10.1039/c4ob00324a","","","0.71073","MoKα","","0.0343","0.0324","","","0.0858","0.0876","","","","","","0.986","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153888","15.9828","0.0014","6.8208","0.0006","34.232","0.003","90","","90","","90","","3731.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 3-phenylnaphtho[1,2-b]furan-2,2(3H)-bis(carbimidate)","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C176 H160 N16 O24 -","8","1","","Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu","""One-pot"" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans.","Organic & biomolecular chemistry","2014","12","25","4412","4420","10.1039/c4ob00324a","","","0.71073","MoKα","","0.0419","0.0383","","","0.0986","0.1018","","","","","","1.049","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153889","9.3671","0.0006","9.5385","0.0007","17.0984","0.0012","90","","90","","90","","1527.71","0.18","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Roca-López, David; Marqués-López, Eugenia; Alcaine, Ana; Merino, Pedro; Herrera, Raquel P.","A Friedel-Crafts alkylation mechanism using an aminoindanol-derived thiourea catalyst.","Organic & biomolecular chemistry","2014","12","25","4503","4510","10.1039/c4ob00348a","","","1.54178","CuKα","","0.0575","0.0492","","","0.116","0.1197","","","","","","1.002","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153890","8.9888","0.00014","6.81739","0.00008","18.275","0.0002","90","","100.482","0.0014","90","","1101.21","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C56 H50 N2 O6 -","2","1","","Ouyang, Banlai; Yu, Tingting; Luo, Renshi; Lu, Gui","The asymmetric Cu(ii)-indolinylmethanol complex catalyzed Diels-Alder reaction of 2-vinylindoles with β,γ-unsaturated α-ketoesters: an efficient route to functionalized tetrahydrocarbazoles.","Organic & biomolecular chemistry","2014","12","24","4172","4176","10.1039/c4ob00196f","","","1.54184","CuKα","","0.0292","0.0273","","","0.0685","0.0703","","","","","","1.046","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153891","34.5934","0.0006","34.5934","0.0006","8.2566","0.0003","90","","90","","120","","8556.9","0.4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H42 N2 O6 Rh2 -","- C38 H42 N2 O6 Rh2 -","- C342 H378 N18 O54 Rh18 -","9","0.5","","Lam, Hon-Wah; Man, Ka-Yi; Chan, Wai-Wing; Zhou, Zhongyuan; Yu, Wing-Yiu","Rhodium(iii)-catalyzed formal oxidative [4 + 1] cycloaddition of benzohydroxamic acids and α-diazoesters. A facile synthesis of functionalized benzolactams.","Organic & biomolecular chemistry","2014","12","24","4112","4116","10.1039/c4ob00512k","","","0.71073","MoKα","","0.0885","0.0649","","","0.1959","0.2312","","","","","","1.004","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153892","5.8444","0.0012","19.476","0.004","10.909","0.002","90","","95.18","0.03","90","","1236.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Cl2 N2 O2 -","- C9 H14 Cl2 N2 O2 -","- C36 H56 Cl8 N8 O8 -","4","1","","Zhao, Fei; Li, Yuexing; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Selective synthesis of (Z)-2-enynyl-2-hydroxy-imidazolidine-4,5-diones via Cu(i)-mediated multicomponent coupling of terminal alkynes, carbodiimides and oxalyl chloride.","Organic & biomolecular chemistry","2014","12","21","3336","3339","10.1039/c4ob00185k","","","0.71073","MoKα","","0.0692","0.0445","","","0.0943","0.1006","","","","","","0.993","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153893","10.058","0.002","25.771","0.005","14.912","0.003","90","","106.01","0.03","90","","3715.3","1.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cl6 N2 O3 -","- C35 H40 Cl6 N2 O3 -","- C140 H160 Cl24 N8 O12 -","4","1","","Zhao, Fei; Li, Yuexing; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Selective synthesis of (Z)-2-enynyl-2-hydroxy-imidazolidine-4,5-diones via Cu(i)-mediated multicomponent coupling of terminal alkynes, carbodiimides and oxalyl chloride.","Organic & biomolecular chemistry","2014","12","21","3336","3339","10.1039/c4ob00185k","","","0.71073","MoKα","","0.1898","0.0749","","","0.1394","0.1506","","","","","","0.992","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153894","7.7404","0.0015","8.6624","0.0017","13.34","0.003","81.46","0.03","89.7","0.03","70.47","0.03","832.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Liu, Bingjie; Zhang, Yueteng; Huang, Gang; Zhang, Xinting; Niu, Pengfei; Wu, Jie; Yu, Wenquan; Chang, Junbiao","A concise approach to polysubstituted oxazoles from N-acyl-2-bromo enamides via a copper(i)/amino acid-catalyzed intramolecular C-O bond formation.","Organic & biomolecular chemistry","2014","12","23","3912","3923","10.1039/c4ob00309h","","","0.71073","MoKα","","0.3106","0.2092","","","0.3973","0.463","","","","","","1.275","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7153895","6.508","0.001","25.907","0.003","9.134","0.0001","90","","99.33","0.01","90","","1519.6","0.3","198","2","198","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","2","","Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Palladium(ii)-catalysed total synthesis of naturally occurring pyrano[3,2-a]carbazole and pyrano[2,3-b]carbazole alkaloids.","Organic & biomolecular chemistry","2014","12","23","3866","3876","10.1039/c4ob00367e","","x-ray","0.71073","MoKα","","0.0771","0.0428","","","0.0783","0.0904","","","","","","1.065","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153896","6.763","0.001","8.187","0.001","13.881","0.001","90","","91.33","0.01","90","","768.37","0.16","198","2","198","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Palladium(ii)-catalysed total synthesis of naturally occurring pyrano[3,2-a]carbazole and pyrano[2,3-b]carbazole alkaloids.","Organic & biomolecular chemistry","2014","12","23","3866","3876","10.1039/c4ob00367e","","x-ray","0.71073","MoKα","","0.0547","0.0386","","","0.0854","0.0936","","","","","","1.045","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153897","7.0995","0.0008","8.0775","0.0009","11.9904","0.0015","89.359","0.004","77.992","0.004","74.584","0.004","647.65","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 F O4 -","- C14 H17 F O4 -","- C28 H34 F2 O8 -","2","1","","Lee, Ji Eun; Kwon, Tae Hui; Gu, Su Jin; Lee, Duck-Hyung; Kim, B. Moon; Lee, Jae Yeol; Lee, Jae Kyun; Seo, Seon Hee; Pae, Ae Nim; Keum, Gyochang; Cho, Yong Seo; Min, Sun-Joon","Efficient synthesis of mibefradil analogues: an insight into in vitro stability.","Organic & biomolecular chemistry","2014","12","30","5669","5681","10.1039/c4ob00504j","","","0.71075","MoKα","","","0.0397","","","","0.1215","","","","","","1.105","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153898","10.8393","0.0005","16.7856","0.0003","42.689","0.002","90","","90","","90","","7767","0.5","100","2","100","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C37 H34 Cl2 F12 N2 O3 Si -","- C37 H34 Cl2 F12 N2 O3 Si -","- C296 H272 Cl16 F96 N16 O24 Si8 -","8","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.1354","0.0656","","","0.1412","0.1651","","","","","","0.971","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153899","8.9169","0.0013","17.351","0.003","17.602","0.003","90","","90","","90","","2723.3","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl2 N2 O3 -","- C30 H30 Cl2 N2 O3 -","- C120 H120 Cl8 N8 O12 -","4","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.152","0.063","","","0.1281","0.1519","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153900","19.3984","0.001","9.6352","0.0005","16.2688","0.0009","90","","108.737","0.002","90","","2879.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","2","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.1482","0.0667","","","0.1537","0.1851","","","","","","0.98","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153901","19.0719","0.0012","5.2738","0.0003","27.2994","0.0014","90","","90.632","0.004","90","","2745.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.0948","0.054","","","0.13","0.1456","","","","","","1.042","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153902","6.894","0.002","9.539","0.003","9.718","0.003","80.82","0.011","72.41","0.009","88.45","0.012","601.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N2 O5 S -","- C11 H10 N2 O5 S -","- C22 H20 N4 O10 S2 -","2","1","","Gao, Zhenzhen; Zhang, Lei; Sun, Zhanhu; Yu, Hao; Xiao, Yumei; Guo, Hongchao","DABCO-catalyzed [3 + 2] annulation of sulfamate-derived cyclic imines with isocyanoacetates: synthesis of sulfamate-fused 2-imidazoline.","Organic & biomolecular chemistry","2014","12","30","5691","5697","10.1039/c4ob00840e","","","0.71073","MoKα","","0.0436","0.0425","","","0.1066","0.1075","","","","","","1.116","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153903","12.3807","0.001","10.2922","0.0008","13.3591","0.001","90","","102.839","0.001","90","","1659.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","","Ji, Fei; Lv, Mei-Fang; Yi, Wen-Bin; Cai, Chun","One-pot synthesis of 2-amino-4(3H)-quinazolinones via ring-opening of isatoic anhydride and palladium-catalyzed oxidative isocyanide-insertion.","Organic & biomolecular chemistry","2014","12","30","5766","5772","10.1039/c4ob00484a","","","0.71073","MoKα","","0.0546","0.0412","","","0.1086","0.1212","","","","","","1.028","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153904","8.3283","0.001","10.8019","0.0013","10.6819","0.0012","90","","90.74","0.004","90","","960.9","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-1-(tetrahydro-2H-pyran-2-yl)pyrimidin-2(1H)-one","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C36 H52 N12 O8 -","4","1","","Kananovich, Dzmitry G.; Reino, Alli; Ilmarinen, Kaja; Rõõmusoks, Marko; Karelson, Mati; Lopp, Margus","A general approach to the synthesis of 5-S-functionalized pyrimidine nucleosides and their analogues.","Organic & biomolecular chemistry","2014","12","30","5634","5644","10.1039/c4ob00597j","","","0.71073","MoKα","","0.0483","0.0413","","","0.1122","0.1178","","","","","","1.035","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153905","13.2055","0.0012","13.6518","0.0012","14.051","0.0013","71.739","0.001","63.879","0.001","63.428","0.001","2012.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 F2 N2 O5 S2 -","- C42 H36 F2 N2 O5 S2 -","- C84 H72 F4 N4 O10 S4 -","2","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.1361","0.096","","","0.3009","0.336","","","","","","1.025","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153906","13.315","0.003","12.121","0.003","24.851","0.006","90","","100.657","0.003","90","","3941.6","1.6","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C41 H33 F2 N3 O4 S2 -","- C41 H33 F2 N3 O4 S2 -","- C164 H132 F8 N12 O16 S8 -","4","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.0802","0.0506","","","0.1498","0.1648","","","","","","0.971","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153907","28.49","0.002","12.0125","0.001","27.294","0.002","90","","110.977","0.001","90","","8721.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 N3 O4 S2 -","- C43 H39 N3 O4 S2 -","- C344 H312 N24 O32 S16 -","8","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.099","0.0576","","","0.1739","0.1919","","","","","","1.081","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153908","18.3878","0.0011","7.5278","0.0005","26.7776","0.0015","90","","100.221","0.002","90","","3647.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cyclic Trimer of 3-(Diethylborylethynyl)pyridine","","","- C36 H48 B3 N3 O3 -","- C36 H48 B3 N3 O3 -","- C144 H192 B12 N12 O12 -","4","1","","Wakabayashi, Shigeharu; Kuse, Mitsumi; Kida, Aimi; Komeda, Seiji; Tatsumi, Kazuyuki; Sugihara, Yoshikazu","The structure of 3-(diethylborylethynyl)pyridine: a nonplanarly arranged cyclic trimer.","Organic & biomolecular chemistry","2014","12","29","5382","5387","10.1039/c4ob00849a","","","0.71075","MoKα","","0.1137","0.0553","","","0.1425","0.1785","","","","","","1.046","","","","has coordinates","287929","2023-12-01","12:10:10",""
"7153909","9.96379","0.00018","10.04828","0.00018","19.6441","0.0004","90","","90","","90","","1966.75","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O3 Se -","- C24 H16 O3 Se -","- C96 H64 O12 Se4 -","4","1","","Wu, Xiangfei; Shirakawa, Seiji; Maruoka, Keiji","Efficient asymmetric synthesis of spiro-2(3H)-furanones via phase-transfer-catalyzed alkynylation.","Organic & biomolecular chemistry","2014","12","29","5388","5392","10.1039/c4ob00969j","","","1.54187","CuKα","","","0.0541","","","","0.222","","","","","","1.604","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153910","19.6382","0.0007","10.7068","0.0003","21.8503","0.0009","90","","119.245","0.005","90","","4008.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Br2 Cl2 N8 O4 -","- C41 H36 Br2 Cl2 N8 O4 -","- C164 H144 Br8 Cl8 N32 O16 -","4","0.5","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","0.7107","MoKα","","0.0469","0.0347","","","0.0735","0.0784","","","","","","1.019","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153911","9.1221","0.0002","10.9612","0.0003","12.8679","0.0003","71.798","0.002","79.244","0.002","88.953","0.002","1199.69","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br N4 -","- C28 H24 Br N4 -","- C56 H48 Br2 N8 -","2","1","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","1.54184","CuKα","","0.0607","0.0593","","","0.1439","0.1449","","","","","","1.081","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153912","11.4914","0.0004","11.8011","0.0003","13.043","0.0006","90","","107.162","0.005","90","","1690.02","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C80 H64 N16 O8 -","4","1","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","0.7107","MoKα","","0.0638","0.0436","","","0.0907","0.1171","","","","","","1.124","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153913","12.5878","0.0002","9.3875","0.0002","14.5609","0.0003","90","","98.3672","0.0008","90","","1702.32","0.06","150","","150","","","","","","","","syn","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl N2 O3 -","- C18 H19 Cl N2 O3 -","- C72 H76 Cl4 N8 O12 -","4","1","","Knipe, Peter C.; Smith, Martin D.","Enantioselective one-pot synthesis of dihydroquinolones via BINOL-derived Lewis acid catalysis.","Organic & biomolecular chemistry","2014","12","28","5094","5097","10.1039/c4ob00627e","","","0.71073","MoKα","","0.0572","0.0402","","0.1104","0.0945","0.1104","","","","","","0.9508","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153914","12.552","0.001","8.49","0.001","15.725","0.001","90","","104.14","0.01","90","","1625","0.3","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Hasebein, Peer; Frehland, Bastian; Lehmkuhl, Kirstin; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Synthesis and pharmacological evaluation of like- and unlike-configured tetrahydro-2-benzazepines with the α-substituted benzyl moiety in the 5-position.","Organic & biomolecular chemistry","2014","12","29","5407","5426","10.1039/c4ob00510d","","","0.71073","MoKα","","0.0697","0.0453","","","0.101","0.1108","","","","","","1.041","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153915","5.8931","0.0013","20.199","0.004","11.95","0.003","90","","92.215","0.004","90","","1421.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Fe N4 -","- C17 H14 Fe N4 -","- C68 H56 Fe4 N16 -","4","1","","Sun, Ranfeng; Wang, Huangdong; Hu, Jianfeng; Zhao, Jiudong; Zhang, Hao","Pyridine-phosphinimine ligand-accelerated Cu(i)-catalyzed azide-alkyne cycloaddition for preparation of 1-(pyridin-2-yl)-1,2,3-triazole derivatives.","Organic & biomolecular chemistry","2014","12","31","5954","5963","10.1039/c4ob01176g","","","0.71073","MoKα","","0.0436","0.0344","","","0.0848","0.0897","","","","","","1.034","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153916","10.14509","0.00012","9.34727","0.00009","19.6126","0.0003","90","","101.171","0.0012","90","","1824.61","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H38 Cl2 N3 O6 -","- C39 H38 Cl2 N3 O6 -","- C78 H76 Cl4 N6 O12 -","2","1","","Tang, Zhongkai; Shi, Yan; Mao, Haibin; Zhu, Xuebin; Li, Weipeng; Cheng, Yixiang; Zheng, Wen-Hua; Zhu, Chengjian","Highly enantioselective synthesis of bisoxindoles with two vicinal quaternary stereocenters via Lewis base mediated addition of oxindoles to isatin-derived ketimines.","Organic & biomolecular chemistry","2014","12","32","6085","6088","10.1039/c4ob01039f","","","1.54184","CuKα","","0.0707","0.0694","","","0.1756","0.1772","","","","","","1.02","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153917","5.544","0.0018","23.166","0.008","12.365","0.004","90","","102.769","0.004","90","","1548.8","0.9","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0907","0.0599","","","0.17","0.2225","","","","","","1.123","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153918","6.962","0.002","14.046","0.005","16.346","0.006","90","","95.843","0.004","90","","1590.1","0.9","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0697","0.0588","","","0.1139","0.119","","","","","","1.202","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153919","6.6599","0.0017","21.31","0.005","11.054","0.003","90","","99.174","0.004","90","","1548.7","0.7","118","2","118","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C72 H76 N12 O8 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0845","0.0583","","","0.1641","0.1973","","","","","","1.169","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153920","26.0037","0.0015","10.4097","0.0006","15.2507","0.0009","90","","98.599","0.001","90","","4081.8","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 N S -","- C28 H19 N S -","- C224 H152 N8 S8 -","8","1","","Saito, Takao; Sonoki, Yoshihiko; Otani, Takashi; Kutsumura, Noriki","Triflic acid-promoted cycloisomerization of 2-alkynylphenyl isothiocyanates and isocyanates: a novel synthetic method for a variety of indole derivatives.","Organic & biomolecular chemistry","2014","12","42","8398","8407","10.1039/c4ob00825a","","","0.71073","MoKα","","0.0424","0.0391","","","0.0999","0.1032","","","","","","1.008","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153921","10.8131","0.0016","6.5022","0.001","16.577","0.003","90","","105.352","0.002","90","","1123.9","0.3","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Saito, Takao; Sonoki, Yoshihiko; Otani, Takashi; Kutsumura, Noriki","Triflic acid-promoted cycloisomerization of 2-alkynylphenyl isothiocyanates and isocyanates: a novel synthetic method for a variety of indole derivatives.","Organic & biomolecular chemistry","2014","12","42","8398","8407","10.1039/c4ob00825a","","","0.71073","MoKα","","0.0994","0.0659","","","0.1605","0.1829","","","","","","0.895","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153922","38.9202","0.0004","12.316","0.0003","14.8423","0.0006","90","","99.601","0.004","90","","7014.9","0.3","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C41 H31 Cl3 N4 -","- C41 H31 Cl3 N4 -","- C328 H248 Cl24 N32 -","8","2","","Dokládalová, L; Bureš, F; Kuznik, W.; Kityk, I. V.; Wojciechowski, A.; Mikysek, T.; Almonasy, N.; Ramaiyan, M.; Padělková, Z; Kulhánek, J; Ludwig, M.","Dicyanobenzene and dicyanopyrazine derived X-shaped charge-transfer chromophores: comparative and structure-property relationship study.","Organic & biomolecular chemistry","2014","12","29","5517","5527","10.1039/c4ob00901k","","","0.71073","MoKα","","0.1146","0.0763","","","0.1622","0.1892","","","","","","1.168","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153923","12.148","0.0005","13.7149","0.0006","14.8781","0.0012","98.9","0.006","107.234","0.005","108.859","0.004","2152.7","0.3","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H23 Cl N4 -","- C24.5 H23 Cl N4 -","- C98 H92 Cl4 N16 -","4","2","","Dokládalová, L; Bureš, F; Kuznik, W.; Kityk, I. V.; Wojciechowski, A.; Mikysek, T.; Almonasy, N.; Ramaiyan, M.; Padělková, Z; Kulhánek, J; Ludwig, M.","Dicyanobenzene and dicyanopyrazine derived X-shaped charge-transfer chromophores: comparative and structure-property relationship study.","Organic & biomolecular chemistry","2014","12","29","5517","5527","10.1039/c4ob00901k","","","0.71073","MoKα","","0.0725","0.0513","","","0.1166","0.1341","","","","","","1.084","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7153924","9.76204","0.00004","9.76204","0.00004","31.9566","0.0002","90","","90","","90","","3045.38","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 41","P 4w","76","","","","- C34 H34 Cl N3 Ni O4 -","- C34 H34 Cl N3 Ni O4 -","- C136 H136 Cl4 N12 Ni4 O16 -","4","1","","Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Moriwaki, Hiroki; Sato, Tatsunori; Aceña, José Luis; Soloshonok, Vadim A.","Design and synthesis of (S)- and (R)-α-(phenyl)ethylamine-derived NH-type ligands and their application for the chemical resolution of α-amino acids.","Organic & biomolecular chemistry","2014","12","32","6239","6249","10.1039/c4ob00669k","","x-ray","1.54184","CuKα","","0.0263","0.0262","","","0.0698","0.0699","","","","","","1.115","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153925","7.541","0.002","10.227","0.003","10.666","0.003","79.51","0.005","74.206","0.005","70.686","0.005","743.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 I O3 -","- C16 H17 I O3 -","- C32 H34 I2 O6 -","2","1","","Surasani, Seshi Reddy; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Diels-Alder reactions of 4-halo masked o-benzoquinones. Experimental and theoretical investigations.","Organic & biomolecular chemistry","2014","12","30","5656","5668","10.1039/c4ob00856a","","","0.71073","MoKα","","0.0481","0.0466","","","0.1229","0.1243","","","","","","1.188","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153926","10.6073","0.0017","7.7726","0.0013","21.494","0.003","90","","119.15","0.006","90","","1547.7","0.4","240","","240","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br O3 S -","- C16 H17 Br O3 S -","- C64 H68 Br4 O12 S4 -","4","1","","Surasani, Seshi Reddy; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Diels-Alder reactions of 4-halo masked o-benzoquinones. Experimental and theoretical investigations.","Organic & biomolecular chemistry","2014","12","30","5656","5668","10.1039/c4ob00856a","","","0.71073","MoKα","","0.0638","0.0408","","","0.0719","0.0779","","","","","","0.995","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153927","5.9259","0.0003","11.0893","0.0006","12.334","0.0006","79.323","0.003","78.333","0.003","86.45","0.003","779.78","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","6-(4-Methoxyphenyl)-6<i>H</i>-indolo[2,3-b]quinoxaline","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C42 H30 N6 O2 -","2","1","","Hung, Tran Quang; Hoang, Do Huy; Thang, Ngo Ngoc; Dang, Tuan Thanh; Ayub, Khurshid; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Flechsig, Gerd-Uwe; Langer, Peter","Palladium catalyzed synthesis and physical properties of indolo[2,3-b]quinoxalines.","Organic & biomolecular chemistry","2014","12","32","6151","6166","10.1039/c4ob00841c","","","0.71073","MoKα","","0.1439","0.0583","","","0.1007","0.132","","","","","","1.011","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153928","7.3149","0.0003","15.0792","0.0008","16.8977","0.0008","72.116","0.002","88.582","0.002","77.75","0.002","1731.78","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","6-(3-Phenylpropyl)-6<i>H</i>-indolo[2,3-b]quinoxaline","","- C23 H19 N3 -","- C23 H19 N3 -","- C92 H76 N12 -","4","2","","Hung, Tran Quang; Hoang, Do Huy; Thang, Ngo Ngoc; Dang, Tuan Thanh; Ayub, Khurshid; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Flechsig, Gerd-Uwe; Langer, Peter","Palladium catalyzed synthesis and physical properties of indolo[2,3-b]quinoxalines.","Organic & biomolecular chemistry","2014","12","32","6151","6166","10.1039/c4ob00841c","","","0.71073","MoKα","","0.11","0.0528","","","0.1173","0.145","","","","","","1.025","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153929","10.6","0.004","12.434","0.005","16.898","0.006","90","","90","","90","","2227.2","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 S -","- C24 H25 N O6 S -","- C96 H100 N4 O24 S4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Enantioselective synthesis of γ-tetrasubstituted nitrosulfonyl carboxylates and amides vial-tert-leucine-derived-squaramide catalyzed conjugate addition of nitrosulfones to acrylates and acrylamides.","Organic & biomolecular chemistry","2014","12","33","6425","6431","10.1039/c4ob00344f","","","0.71073","MoKα","","0.0419","0.0381","","","0.0867","0.0885","","","","","","1.032","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153930","9.1435","0.0017","6.0132","0.0011","23.209","0.005","90","","90.53","0.003","90","","1276","0.4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O S -","- C13 H14 Cl N O S -","- C52 H56 Cl4 N4 O4 S4 -","4","1","","Stephens, David E.; Chavez, Gabriel; Valdes, Martin; Dovalina, Monica; Arman, Hadi D.; Larionov, Oleg V.","Synthetic and mechanistic aspects of the regioselective base-mediated reaction of perfluoroalkyl- and perfluoroarylsilanes with heterocyclic N-oxides.","Organic & biomolecular chemistry","2014","12","32","6190","6199","10.1039/c4ob01088d","","","0.71073","MoKα","","0.0397","0.0372","","","0.0993","0.1019","","","","","","1.003","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153931","9.1083","0.0018","9.872","0.002","16.583","0.003","90","","101.24","0.03","90","","1462.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C88 H56 N8 -","4","1","","Gong, Peng; Xue, Pengchong; Qian, Chong; Zhang, Zhenqi; Lu, Ran","Balanced π-π interactions directing the self-assembly of indolocarbazole-based low molecular mass organogelators.","Organic & biomolecular chemistry","2014","12","32","6134","6144","10.1039/c4ob00873a","","","0.71073","MoKα","","0.081","0.0526","","","0.1222","0.1342","","","","","","1.003","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153932","42.672","0.017","14.426","0.006","25.267","0.01","90","","110.3","0.005","90","","14588","10","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H112 Cl4 N4 Pd2 -","- C138 H112 Cl4 N4 Pd2 -","- C552 H448 Cl16 N16 Pd8 -","4","0.5","","Lesieur, Mathieu; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","[Pd(μ-Cl)Cl(IPr*)]2: a highly hindered pre-catalyst for the synthesis of tetra-ortho-substituted biaryls via Grignard reagent cross-coupling.","Organic & biomolecular chemistry","2014","12","30","5586","5589","10.1039/c4ob01269k","","","0.71075","MoKα","","","0.2385","","","","0.5675","","","","","","2.162","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153933","5.9048","0.0014","20.852","0.005","9.218","0.002","90","","94.46","0.004","90","","1131.5","0.5","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H24 O2 S -","- C28 H24 O2 S -","- C56 H48 O4 S2 -","2","1","","Liu, Saiwen; Tang, Lichang; Chen, Hui; Zhao, Feng; Deng, Guo-Jun","Iron-catalyzed tetrasubstituted alkene formation from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2014","12","32","6076","6079","10.1039/c4ob00816b","","","0.71073","MoKα","","0.0519","0.0471","","","0.1023","0.1055","","","","","","1.079","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153934","9.694","0.003","9.672","0.003","27.021","0.008","90","","95.745","0.003","90","","2520.8","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O4 S -","- C30 H28 O4 S -","- C120 H112 O16 S4 -","4","1","","Liu, Saiwen; Tang, Lichang; Chen, Hui; Zhao, Feng; Deng, Guo-Jun","Iron-catalyzed tetrasubstituted alkene formation from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2014","12","32","6076","6079","10.1039/c4ob00816b","","","0.71073","MoKα","","0.079","0.0687","","","0.1406","0.1459","","","","","","1.181","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153935","8.38","0.003","9.942","0.004","19.911","0.007","87.992","0.007","88.509","0.007","72.843","0.007","1583.9","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H31 Cl I N O6 S -","- C34 H31 Cl I N O6 S -","- C68 H62 Cl2 I2 N2 O12 S2 -","2","1","","Wu, Jing; Wang, Dongping; Wang, Haolong; Wu, Fan; Li, Xincheng; Wan, Boshun","Facile synthesis of 5H-benzo[b]carbazol-6-yl ketones via sequential reaction of Cu-catalyzed Friedel-Crafts alkylation, iodine-promoted cyclization, nucleophilic substitution and aromatization.","Organic & biomolecular chemistry","2014","12","35","6806","6811","10.1039/c4ob00815d","","","0.71073","MoKα","","0.0893","0.0499","","","0.1329","0.1837","","","","","","1.002","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153936","6.1142","0.0012","12.283","0.003","5.6061","0.0011","90","","107.7","0.03","90","","401.09","0.16","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 O4 -","- C10 H6 O4 -","- C20 H12 O8 -","2","0.5","","Korshin, Edward E.; Leitus, Gregory M.; Bendikov, Michael","Convenient access to readily soluble symmetrical dialkyl-substituted α-oligofurans.","Organic & biomolecular chemistry","2014","12","34","6661","6671","10.1039/c4ob00898g","","","0.71073","MoKα","","0.0421","0.0365","","","0.1062","0.1124","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153937","17.4725","0.001","8.0638","0.0004","24.9462","0.0014","90","","109.224","0.001","90","","3318.8","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C144 H144 Br8 N8 O16 -","8","2","","Wei, Enxiang; Liu, Bing; Lin, Shaoxia; Liang, Fushun","Multicomponent reaction of chalcones, malononitrile and DMF leading to γ-ketoamides.","Organic & biomolecular chemistry","2014","12","33","6389","6392","10.1039/c4ob00971a","","","0.71073","MoKα","","0.0642","0.0409","","","0.0903","0.0994","","","","","","0.989","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153938","19.6835","0.0002","8.2719","0.0001","31.373","0.0003","90","","90","","90","","5108.15","0.09","290","2","290","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H36 Cl N2 Ni P -","- C26 H36 Cl N2 Ni P -","- C208 H288 Cl8 N16 Ni8 P8 -","8","2","","Wu, Dan; Wang, Zhong-Xia","P,N,N-Pincer nickel-catalyzed cross-coupling of aryl fluorides and chlorides.","Organic & biomolecular chemistry","2014","12","33","6414","6424","10.1039/c4ob01041h","","","1.54184","CuKα","","0.0326","0.0311","","","0.084","0.0856","","","","","","1.033","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153939","8.4396","0.0006","10.7479","0.0007","11.8458","0.0007","104.955","0.006","96.292","0.005","96.603","0.005","1020.31","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C50 H42 N2 O8 -","2","1","","Sakthivel, Karuppusamy; Srinivasan, Kannupal","Synthesis of 3,3-disubstituted-2,3-dihydroazanaphthoquinones via simultaneous alkyne oxidation and nitrile hydration of ortho-alkynylarenenitriles.","Organic & biomolecular chemistry","2014","12","33","6440","6446","10.1039/c4ob00852a","","","0.71073","MoKα","","0.1113","0.0558","","","0.117","0.1386","","","","","","1.015","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153940","8.7172","0.0013","9.5695","0.0016","26.86","0.005","88.821","0.007","89.825","0.009","71.559","0.006","2125.1","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","3-CH3C(O)NH-TtBuCorrCu","","","- C51 H50 Cu N5 O -","- C51 H50 Cu N5 O -","- C102 H100 Cu2 N10 O2 -","2","1","","Stefanelli, M.; Mancini, M.; Raggio, M.; Nardis, S.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","3-NO2-5,10,15-triarylcorrolato-Cu as a versatile platform for synthesis of novel 3-functionalized corrole derivatives.","Organic & biomolecular chemistry","2014","12","32","6200","6207","10.1039/c4ob01247j","","","1.54178","CuKα","","0.0759","0.0727","","","0.1866","0.1892","","","","","","1.059","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153941","9.167","0.0002","13.2568","0.0003","15.2701","0.0004","90","","90","","90","","1855.7","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N3 O3 -","- C21 H27 N3 O3 -","- C84 H108 N12 O12 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","1.54178","CuKα","","0.045","0.0449","","","0.1232","0.1236","","","","","","1.042","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153942","7.3581","0.0012","9.136","0.0016","23.005","0.004","90","","90","","90","","1546.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl N2 O4 -","- C17 H17 Cl N2 O4 -","- C68 H68 Cl4 N8 O16 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","0.71073","MoKα","","0.0329","0.0284","","","0.068","0.0702","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153943","6.8411","0.0003","12.9417","0.0006","16.7006","0.0008","90","","90","","90","","1478.6","0.12","175","2","175","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","1.54178","CuKα","","0.0541","0.054","","","0.132","0.132","","","","","","1.106","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153944","8.1091","0.0002","11.2247","0.0003","11.0425","0.0004","90","","106.116","0.001","90","","965.61","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17.9 H27.58 Br2 N2 O1.9 -","- C17.888 H27.552 Br2 N2 O1.888 -","- C35.776 H55.104 Br4 N4 O3.776 -","2","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","0.71073","MoKα","","0.0412","0.0393","","","0.104","0.1051","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153945","30.245","0.006","14.537","0.003","10.379","0.002","90","","90","","90","","4563.4","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 B N O4 S -","- C22 H28 B N O4 S -","- C176 H224 B8 N8 O32 S8 -","8","1","","He, Guangke; Chen, Shan; Wang, Qiang; Huang, Hai; Zhang, Qijun; Zhang, Dongming; Zhang, Rong; Zhu, Hongjun","Studies on copper(i)-catalyzed highly regio- and stereo-selective hydroboration of alkynamides.","Organic & biomolecular chemistry","2014","12","31","5945","5953","10.1039/c4ob00979g","","","0.71073","MoKα","","0.1949","0.068","","","0.1238","0.1719","","","","","","1.002","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153946","12.1328","0.0011","13.7151","0.0015","10.0433","0.0007","90","","90","","90","","1671.2","0.3","290","2","290","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H13 Br Cl3 N O2 -","- C13 H13 Br Cl3 N O2 -","- C52 H52 Br4 Cl12 N4 O8 -","4","1","","Zhu, Rui; Yu, Kai; Gu, Zhenhua","N-Bromoacetamide-mediated domino cyclization and elimination of homoallylic trichloroacetimidates: a novel approach toward the synthesis of 1-bromo-2-amino-3-butene derivatives.","Organic & biomolecular chemistry","2014","12","34","6653","6660","10.1039/c4ob01126k","","","1.54184","CuKα","","0.0715","0.0596","","","0.1598","0.1768","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153947","9.6034","0.0005","15.7805","0.0008","19.7861","0.001","90","","90","","90","","2998.5","0.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1R,3aS,6R,6aR)-1-(2-bromophenyl)-6-phenyl-hexahydrofuro[3,4-c]furan","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C144 H136 Br8 O16 -","8","1","","Subba Reddy, B. V.; Ramana Reddy, M.; Sridhar, B.; Singarapu, Kiran Kumar","Acetal-initiated Prins bicyclization for the synthesis of hexahydrofuro-[3,4-c]furan lignans and octahydropyrano[3,4-c]pyran derivatives.","Organic & biomolecular chemistry","2014","12","26","4754","4762","10.1039/c4ob00305e","","","0.71073","MoKα","","0.0405","0.0314","","","0.0824","0.0903","","","","","","1.082","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153948","11.211","0.0012","16.7616","0.0018","18.3398","0.0019","90","","90","","90","","3446.3","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4aS,8S,8aS)-1-(2-bromophenyl)-8-phenyl-octahydropyrano[3,4-c]pyran","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C160 H168 Br8 O16 -","8","2","","Subba Reddy, B. V.; Ramana Reddy, M.; Sridhar, B.; Singarapu, Kiran Kumar","Acetal-initiated Prins bicyclization for the synthesis of hexahydrofuro-[3,4-c]furan lignans and octahydropyrano[3,4-c]pyran derivatives.","Organic & biomolecular chemistry","2014","12","26","4754","4762","10.1039/c4ob00305e","","","0.71073","MoKα","","0.0431","0.0344","","","0.0881","0.0912","","","","","","0.974","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153949","8.856","0.001","13.861","0.001","10.868","0.001","90","","92.41","0.01","90","","1332.9","0.2","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Gassner, Cemena; Hesse, Ronny; Schmidt, Arndt W.; Knölker, Hans-Joachim","Total synthesis of the cyclic monoterpenoid pyrano[3,2-a]carbazole alkaloids derived from 2-hydroxy-6-methylcarbazole.","Organic & biomolecular chemistry","2014","12","33","6490","6499","10.1039/c4ob01151a","","x-ray","0.71073","MoKα","","0.0556","0.0436","","","0.1205","0.1318","","","","","","1.063","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153950","11.9849","0.0008","8.8043","0.0006","14.3967","0.001","90","","93.67","0.002","90","","1516.01","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O2 -","- C18 H14 Br N O2 -","- C72 H56 Br4 N4 O8 -","4","1","","Wei, Lai; Liu, Lu; Zhang, Junliang","Scandium-catalyzed tandem selective oxirane ring-opening/Friedel-Crafts alkylation: a facile access to [1,4]oxazino[4,3-a]indoles and 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazines.","Organic & biomolecular chemistry","2014","12","35","6869","6877","10.1039/c4ob01057d","","","0.71073","MoKα","","0.052","0.0375","","","0.0923","0.1024","","","","","","1.021","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153951","6.668","0.0016","19.172","0.003","14.717","0.002","90","","96.264","0.019","90","","1870.2","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N -","- C17 H13 N -","- C102 H78 N6 -","6","1.5","","Gong, Liang; Xing, Li-Juan; Xu, Tong; Zhu, Xue-Ping; Zhou, Wen; Kang, Ning; Wang, Bin","Metal-free oxidative olefination of primary amines with benzylic C-H bonds through direct deamination and C-H bond activation.","Organic & biomolecular chemistry","2014","12","34","6557","6560","10.1039/c4ob01025f","","","0.71075","MoKα","","0.0751","0.0723","","","0.152","0.1536","","","","","","1.235","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7153952","11.1108","0.00007","14.8838","0.0001","17.8512","0.0001","90","","90.9022","0.0006","90","","2951.7","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O16 -","- C32 H30 O16 -","- C128 H120 O64 -","4","2","","Wu, Hao Chen; Ge, Hui Ming; Zang, Le Yun; Bei, Yun Cheng; Niu, Zhi Yuan; Wei, Wei; Feng, Xiu Jing; Ding, Sen; Ng, Seik Weng; Shen, Ping Ping; Tan, Ren Xiang","Diaporine, a novel endophyte-derived regulator of macrophage differentiation.","Organic & biomolecular chemistry","2014","12","34","6545","6548","10.1039/c4ob01123f","","","1.54184","CuKα","","0.0273","0.027","","","0.073","0.0733","","","","","","1.017","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153953","15.769","0.003","18.047","0.003","18.752","0.003","102.985","0.003","91.397","0.002","91.223","0.003","5196.5","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H107 F12 N8 O14 P2 S2 -","- C89 H107 F12 N8 O14 P2 S2 -","- C178 H214 F24 N16 O28 P4 S4 -","2","1","","Hu, Fang; Huang, Juanyun; Cao, Meijiao; Chen, Zhao; Yang, Ying-Wei; Liu, Sheng Hua; Yin, Jun","Dithienylethene-based rotaxanes: synthesis, characterization and properties.","Organic & biomolecular chemistry","2014","12","39","7712","7720","10.1039/c4ob01213e","","","0.71073","MoKα","","0.129","0.0698","","","0.1945","0.2242","","","","","","0.926","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153954","10.812","0.003","11.923","0.003","18.961","0.005","90","","93.509","0.009","90","","2439.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O4 S -","- C25 H29 N O4 S -","- C100 H116 N4 O16 S4 -","4","1","","Saikia, Anil K.; Indukuri, Kiran; Das, Jagadish","Stereoselective synthesis of O-tosyl azabicyclic derivatives via aza Prins reaction of endocyclic N-acyliminium ions: application to the total synthesis of (±)-epi-indolizidine 167B and 209D.","Organic & biomolecular chemistry","2014","12","36","7026","7035","10.1039/c4ob01130a","","","0.71073","MoKα","","0.0674","0.0467","","","0.1265","0.1433","","","","","","0.949","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153955","15.7738","0.0007","7.7296","0.0004","17.0325","0.0007","90","","104.216","0.005","90","","2013.1","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Xue, Pengchong; Yao, Boqi; Zhang, Yuan; Chen, Peng; Li, Kechang; Liu, Baijun; Lu, Ran","A large dipole moment to promote gelation for 4-nitrophenylacrylonitrile derivatives with gelation-induced emission enhancement properties.","Organic & biomolecular chemistry","2014","12","36","7110","7118","10.1039/c4ob00768a","","","0.71073","MoKα","","0.0853","0.0514","","","0.1035","0.1254","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153956","8.1838","0.0006","8.4093","0.0006","18.4956","0.0015","83.381","0.007","77.526","0.004","63.273","0.005","1109.8","0.15","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N4 O7 -","- C23 H26 N4 O7 -","- C46 H52 N8 O14 -","2","1","","Bourgault, Jean Paul; Maddirala, Amarendar Reddy; Andreana, Peter R.","A one-pot multicomponent coupling/cyclization for natural product herbicide (±)-thaxtomin A.","Organic & biomolecular chemistry","2014","12","41","8125","8127","10.1039/c4ob01148a","","","1.54178","CuKα","","0.0482","0.0406","","","0.1042","0.1097","","","","","","1.041","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7153957","13.4151","0.0003","11.3424","0.0003","14.8403","0.0003","90","","111.247","0.001","90","","2104.61","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","()-Thaxtomin A","","- C22.2 H22.8 N4 O6.2 -","- C22 H21.3 N4.4 O6 -","- C88 H85.2 N17.6 O24 -","4","1","","Bourgault, Jean Paul; Maddirala, Amarendar Reddy; Andreana, Peter R.","A one-pot multicomponent coupling/cyclization for natural product herbicide (±)-thaxtomin A.","Organic & biomolecular chemistry","2014","12","41","8125","8127","10.1039/c4ob01148a","","","1.54178","CuKα","","0.0431","0.0417","","","0.1095","0.1106","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153958","10.3575","0.0002","10.0578","0.0003","26.8362","0.0007","90","","97.191","0.001","90","","2773.64","0.12","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C104 H160 O40 -","8","2","","Mondal, Soumik; Sureshan, Kana M.","Total syntheses and structural validation of lincitol A, lincitol B, uvacalol I, uvacalol J, and uvacalol K.","Organic & biomolecular chemistry","2014","12","37","7279","7289","10.1039/c4ob01329h","","","0.71073","MoKα","","0.0507","0.0409","","","0.1154","0.1236","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153959","11.2697","0.00015","5.81937","0.00007","16.56046","0.00018","90","","99.6391","0.0011","90","","1070.74","0.02","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C48 H52 Si4 -","2","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0352","0.0327","","","0.0937","0.0963","","","","","","1.063","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153960","23.6928","0.0002","8.6313","0.0001","24.1592","0.0002","90","","117.042","0.0005","90","","4400.4","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C192 H208 Si16 -","8","2","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.71073","MoKα","","0.0395","0.0335","","","0.0936","0.098","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153961","10.93715","0.00019","11.26203","0.00016","9.96535","0.00016","90","","105.935","0.0017","90","","1180.31","0.03","100.01","0.15","100.01","0.15","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 -","- C18 H10 -","- C72 H40 -","4","1","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0489","0.0428","","","0.1229","0.1277","","","","","","1.068","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153962","11.4064","0.0002","6.07068","0.00012","16.7481","0.0004","90","","104.563","0.002","90","","1122.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Sn2 -","- C24 H26 Sn2 -","- C48 H52 Sn4 -","2","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.026","0.0225","","","0.0532","0.0558","","","","","","1.068","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153963","15.3809","0.0003","15.4149","0.0003","21.7315","0.0004","80.6982","0.0015","74.6369","0.0017","86.9597","0.0015","4902.7","0.17","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C25.5 H29.5 Sn2 -","- C25.5 H29.5 Sn2 -","- C204 H236 Sn16 -","8","4","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0311","0.0238","","","0.0465","0.049","","","","","","1.032","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7153964","8.564","0.003","10.244","0.004","12.957","0.005","79.45","0.03","82.013","0.015","76.34","0.011","1080.4","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H52 Si4 -","- C48 H52 Si4 -","- C48 H52 Si4 -","1","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","1.54178","CuKα","","0.035","0.0335","","","0.0901","0.0912","","","","","","1.062","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153965","7.5761","0.0006","10.0339","0.0008","12.7454","0.0008","110.973","0.005","99.303","0.005","101.673","0.004","856.46","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 Cl4 Si2 -","- C38 H32 Cl4 Si2 -","- C38 H32 Cl4 Si2 -","1","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.71073","MoKα","","0.0398","0.0347","","","0.0876","0.0915","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153966","6.121","0.005","30.224","0.005","8.524","0.005","90","0.005","104.105","0.005","90","0.005","1529.4","1.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Fe N O -","- C19 H17 Fe N O -","- C76 H68 Fe4 N4 O4 -","4","1","","Teng, Qiang; Hu, Jianfeng; Ling, Li; Sun, Ranfeng; Dong, Junyang; Chen, Shufeng; Zhang, Hao","Copper-catalyzed direct alkylation of 1,3-azoles with N-tosylhydrazones bearing a ferrocenyl group: a novel method for the synthesis of ferrocenyl-based ligands.","Organic & biomolecular chemistry","2014","12","39","7721","7727","10.1039/c4ob01093k","","","0.71073","MoKα","","0.0997","0.0965","","","0.1923","0.1937","","","","","","1.14","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153967","38.7","1","9.0001","0.0013","33.32","0.0003","90","","109.69","","90","","10927","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H100 Br2 N8 Ni2 -","- C96 H100 Br2 N8 Ni2 -","- C384 H400 Br8 N32 Ni8 -","4","1","","Feng, Chuan-Mi; Zhu, Yi-Zhou; Zang, Yun; Tong, Yu-Zhang; Zheng, Jian-Yu","Switchable regioselectivity in the PIFA-BF3·Et2O mediated oxidative coupling of meso-brominated Ni(ii) porphyrin.","Organic & biomolecular chemistry","2014","12","36","6990","6993","10.1039/c4ob01517g","","","0.71073","MoKα","","0.141","0.0994","","","0.2754","0.309","","","","","","1.023","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153968","11.4323","0.0013","9.4544","0.001","11.5317","0.0013","90","","107.545","0.002","90","","1188.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O9 -","- C23 H32 O9 -","- C46 H64 O18 -","2","1","","Pazos, G.; Pérez, M; Gándara, Z; Gómez, G; Fall, Y.","Synthesis of a chiral building block for highly functionalized polycyclic ethers.","Organic & biomolecular chemistry","2014","12","39","7750","7757","10.1039/c4ob01439a","","","0.71073","MoKα","","0.1185","0.087","","","0.2557","0.2876","","","","","","1.067","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153969","8.2827","0.0003","8.325","0.0003","15.0662","0.0007","98.787","0.002","93.426","0.002","114.758","0.002","923.4","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C44 H38 N2 O8 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0546","0.0439","","","0.1041","0.1119","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153970","13.687","0.0005","8.3874","0.0003","17.8893","0.0006","90","","112.109","0.002","90","","1902.66","0.12","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0895","0.058","","","0.1486","0.1798","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153971","8.1294","0.0004","8.2212","0.0004","19.5982","0.001","87.31","0.002","87.214","0.002","82.233","0.002","1295.19","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 O5 S -","- C29 H26 N2 O5 S -","- C58 H52 N4 O10 S2 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0641","0.0423","","","0.1057","0.1182","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153972","7.44","0.005","10.513","0.007","13.472","0.009","83.084","0.017","86.07","0.02","86.796","0.018","1042.4","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O7 S -","- C22 H23 N O7 S -","- C44 H46 N2 O14 S2 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71075","MoKα","","","0.0769","","","","0.1773","","","","","","1.239","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153973","6.2466","0.0004","6.8285","0.0006","16.0444","0.0015","90","","94.122","0.008","90","","682.6","0.1","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O5 -","- C12 H22 O5 -","- C24 H44 O10 -","2","1","","Ma, Xiaofeng; Tang, Qin; Ke, Jun; Zhang, Jichao; Yang, Xinglong; Shen, Xudong; Shao, Huawu","A neighboring group participation strategy: direct and highly diastereoselective synthesis of 2-substituted and 2,2-bisubstituted perhydrofuro[2,3-b]pyran derivatives.","Organic & biomolecular chemistry","2014","12","37","7381","7388","10.1039/c4ob00642a","","","0.7107","MoKα","","0.1057","0.0748","","","0.1934","0.2271","","","","","","1.064","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153974","6.7501","0.0005","17.4344","0.0013","19.5104","0.0014","90","","90","","90","","2296.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydroxy Pyrrolidine","","","- C21 H31 N O7 S -","- C21 H31 N O7 S -","- C84 H124 N4 O28 S4 -","4","1","","Tiwari, Dipak Kumar; Bharadwaj, Kishor Chandra; Puranik, Vedavati G.; Tiwari, Dharmendra Kumar","Divergent total synthesis of 1,6,8a-tri-epi-castanospermine and 1-deoxy-6,8a-di-epi-castanospermine from substituted azetidin-2-one (β-lactam), involving a cascade sequence of reactions as a key step.","Organic & biomolecular chemistry","2014","12","37","7389","7396","10.1039/c4ob00948g","","","0.71073","MoKα","","0.0739","0.0448","","","0.0997","0.111","","","","","","1.024","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153975","12.1519","0.0004","13.1631","0.0004","13.3186","0.0004","90","","99.585","0.001","90","","2100.66","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 N2 O3 P Ru -","- C20 H29 N2 O3 P Ru -","- C80 H116 N8 O12 P4 Ru4 -","4","1","","Profir, Irina; Beller, Matthias; Fleischer, Ivana","Novel ruthenium-catalyst for hydroesterification of olefins with formates.","Organic & biomolecular chemistry","2014","12","36","6972","6976","10.1039/c4ob01246a","","","0.71073","MoKα","","0.0195","0.0172","","","0.0439","0.0457","","","","","","1.057","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153976","7.9952","0.0015","6.8431","0.0013","12.251","0.002","90","","93.085","0.004","90","","669.3","0.2","120","2","120.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,6-dimethyl-4-(Bpin)-pyridine","","","- C13 H20 B N O2 -","- C13 H20 B N O2 -","- C26 H40 B2 N2 O4 -","2","0.5","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.062","0.0546","","","0.1382","0.1432","","","","","","1.077","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153977","6.5381","0.0004","21.3579","0.0012","9.4192","0.0005","90","","93.137","0.002","90","","1313.33","0.13","120","2","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2,3-Dichloro-5-(Bpin)-pyridine","","","- C11 H14 B Cl2 N O2 -","- C11 H14 B Cl2 N O2 -","- C44 H56 B4 Cl8 N4 O8 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0411","0.0313","","","0.0782","0.0826","","","","","","1.055","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153978","7.476","0.0006","20.8897","0.0014","23.5283","0.0017","90","","90","","90","","3674.4","0.5","120","2","120.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-methyl-4-phenyl-pyridine","","- C12 H11 N -","- C12 H11 N -","- C192 H176 N16 -","16","2","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0678","0.0391","","","0.0942","0.1069","","","","","","1.007","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153979","11.2252","0.0016","15.438","0.002","7.6917","0.0012","90","","107.874","0.004","90","","1268.6","0.3","120","2","120.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-4-naphthalen-1-yl-pyridine","","- C17 H15 N -","- C17 H15 N -","- C68 H60 N4 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0885","0.0452","","","0.1063","0.1215","","","","","","0.905","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153980","20.849","0.004","6.6532","0.0012","15.874","0.003","90","","90","","90","","2201.9","0.7","120","2","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","4,4'-bis(Bpin)-2,2'-bipyridine","","- C22 H30 B2 N2 O4 -","- C22 H30 B2 N2 O4 -","- C88 H120 B8 N8 O16 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.1096","0.0693","","","0.1501","0.1724","","","","","","1.029","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153981","7.1352","0.0019","12.292","0.003","11.175","0.003","90","","94.168","0.004","90","","977.5","0.4","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-dimethy-5-thiophen-2-yl-pyrazine","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C40 H40 N8 S4 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0482","0.0372","","","0.1006","0.1076","","","","","","1.103","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153982","5.6994","0.0004","12.1727","0.0008","13.5102","0.0009","73.506","0.003","88.323","0.004","89.037","0.004","898.31","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N3 O6 -","- C16 H25 N3 O6 -","- C32 H50 N6 O12 -","2","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.0511","0.0383","","","0.0957","0.1043","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153983","8.6327","0.0004","8.4467","0.0004","24.0094","0.0012","90","","95.597","0.003","90","","1742.37","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N3 O6 -","- C15 H25 N3 O6 -","- C60 H100 N12 O24 -","4","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.055","0.0423","","","0.1087","0.1168","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153984","12.2285","0.0009","8.4147","0.0006","18.9773","0.0015","90","","104.836","0.004","90","","1887.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C68 H108 N12 O24 -","4","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.0652","0.0391","","","0.0888","0.1018","","","","","","1.022","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153985","7.7003","0.0006","8.1539","0.0007","16.0222","0.0013","90","","91.409","0.003","90","","1005.69","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.0637","0.0448","","","0.101","0.1113","","","","","","1.028","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153986","11.8362","0.0005","12.2518","0.0005","19.0137","0.0007","90","","90","","90","","2757.27","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Cl3 N O5 -","- C26 H38 Cl3 N O5 -","- C104 H152 Cl12 N4 O20 -","4","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.1166","0.0955","","","0.2488","0.272","","","","","","1.073","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153987","6.8794","0.0005","14.9305","0.001","22.2706","0.0015","90","","90","","90","","2287.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O4 -","- C25 H37 N O4 -","- C100 H148 N4 O16 -","4","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.0713","0.0437","","","0.0867","0.0992","","","","","","1.027","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153988","14.4314","0.0017","8.8602","0.001","19.841","0.002","90","","100.647","0.002","90","","2493.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Br N3 O6 S2 -","- C24 H24 Br N3 O6 S2 -","- C96 H96 Br4 N12 O24 S8 -","4","1","","Zhou, Jing; Yeung, Ying-Yeung","Diastereoselective synthesis of functionalized pyrrolidines through N-bromosuccinimide-induced aziridine ring expansion cascade of cinnamylaziridine.","Organic & biomolecular chemistry","2014","12","38","7482","7485","10.1039/c4ob01384k","","","0.71073","MoKα","","0.1134","0.0653","","","0.1479","0.1682","","","","","","1.049","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153992","7.028","0.0011","12.5922","0.0019","14.037","0.002","90","","90","","90","","1242.2","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5R,6S,7R)-7-methyl-3-phenyl-4,5,6,7-tetrahydro-[1,2,3]triazolo [1,5-a]pyridine-4,5,6-triol","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","","Putapatri, Siddamal Reddy; Kanwal, Abhinav; Sridhar, Balasubramanian; Banerjee, Sanjay K.; Kantevari, Srinivas","Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors.","Organic & biomolecular chemistry","2014","12","42","8415","8421","10.1039/c4ob01319k","","","0.71073","MoKα","","0.0286","0.0277","","","0.072","0.0727","","","","","","1.06","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153993","7.555","0.0005","11.987","0.0008","15.0918","0.0011","90","","90","","90","","1366.74","0.16","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5R,6S,7R)-7-methyl-3-p-tolyl-4,5,6,7-tetrahydro-[1,2,3]triazolo[1,5-a] pyridine-4,5,6-triol","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","","Putapatri, Siddamal Reddy; Kanwal, Abhinav; Sridhar, Balasubramanian; Banerjee, Sanjay K.; Kantevari, Srinivas","Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors.","Organic & biomolecular chemistry","2014","12","42","8415","8421","10.1039/c4ob01319k","","","0.71073","MoKα","","0.0291","0.0282","","","0.0717","0.0725","","","","","","1.083","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153994","8.8993","0.0006","22.5466","0.0014","8.191","0.0005","90","","108.827","0.003","90","","1555.58","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.0401","0.035","","","0.089","0.0931","","","","","","1.032","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153995","8.91","0.003","9.482","0.003","14.09","0.005","101.315","0.016","101.159","0.016","110.48","0.017","1048","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cl3 N O2 -","- C22 H18 Cl3 N O2 -","- C44 H36 Cl6 N2 O4 -","2","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.1051","0.0675","","","0.1197","0.1362","","","","","","1.162","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153996","15.1024","0.0009","14.8289","0.0008","11.8933","0.0007","90","","105.668","0.0017","90","","2564.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N2 O5 -","- C27 H34 N2 O5 -","- C108 H136 N8 O20 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.0437","0.0388","","","0.1415","0.1477","","","","","","1.291","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153997","6.627","0.0003","7.9739","0.0003","32.9949","0.0014","90","","90","","90","","1743.55","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl N O4 -","- C19 H18 Cl N O4 -","- C76 H72 Cl4 N4 O16 -","4","1","","Takahashi, Masaki; Murata, Yusuke; Ishida, Masahiro; Yagishita, Fumitoshi; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Catalytic amide allylation of α-ketoesters: extremely high enantioselective synthesis of ester functionalised α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2014","12","39","7686","7689","10.1039/c4ob01508h","","","1.54178","CuKα","","0.0417","0.04","","","0.1097","0.1107","","","","","","1.026","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153998","8.9358","0.0018","9.326","0.002","12.002","0.003","106.67","0.003","101.817","0.004","93.1","0.004","931","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Br Cl2 N2 O2 S -","- C17 H13 Br Cl2 N2 O2 S -","- C34 H26 Br2 Cl4 N4 O4 S2 -","2","1","","Liu, Xiaozu; Hu, Qinghong; Yuan, Zeli; Liu, Peijun","AcOH-mediated dichloroimination of indoles using chloramine-B: a facile access to 2,3-functionalized indolines.","Organic & biomolecular chemistry","2014","12","38","7494","7497","10.1039/c4ob01179a","","","0.71073","MoKα","","0.0941","0.077","","","0.226","0.2417","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153999","6.255","0.0018","18.15","0.0012","16.43","0.0012","90","","96.804","0.003","90","","1852.1","0.6","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H14 F5 N O2 S2 -","- C12 H14 F5 N O2 S2 -","- C48 H56 F20 N4 O8 S8 -","4","2","","Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Generalized access to fluorinated β-keto amino compounds through asymmetric additions of α,α-difluoroenolates to CF3-sulfinylimine.","Organic & biomolecular chemistry","2014","12","39","7836","7843","10.1039/c4ob01575d","","","0.71073","MoKα","","0.0593","0.0562","","","0.136","0.1362","","","","","","1.091","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7154000","8.3228","0.0008","8.8321","0.0009","10.8845","0.0011","86.924","0.003","69.716","0.002","76.474","0.003","729.33","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C38 H28 O6 -","2","1","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.061","0.0521","","","0.1588","0.1764","","","","","","1.096","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154001","9.5269","0.0006","10.7294","0.0007","17.4823","0.0013","90","","90","","90","","1787","0.2","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.0361","0.0322","","","0.0798","0.0832","","","","","","1.044","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154002","5.8687","0.0003","10.7289","0.0006","27.8199","0.0012","90","","95.947","0.003","90","","1742.24","0.15","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 I N O6 -","- C19 H14 I N O6 -","- C76 H56 I4 N4 O24 -","4","2","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.1246","0.1087","","","0.3129","0.329","","","","","","1.141","","","","has coordinates,has disorder","182989","2020-10-21","18:00:00",""
"7154003","8.2342","0.0002","37.9905","0.0008","10.4703","0.0002","90","","90.591","0.001","90","","3275.16","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 I O2 -","- C19 H15 I O2 -","- C152 H120 I8 O16 -","8","2","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.0342","0.0292","","","0.0863","0.1067","","","","","","1.321","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154004","13.1132","0.0016","7.6905","0.0009","28.214","0.004","90","","103.057","0.002","90","","2771.7","0.6","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C136 H96 O24 S8 -","8","2","","Akiyama, Hirotaka; Inoue, Takafumi; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Multiple optical properties of a naphthoquinone pigment: 2-methyl-3-(hydroxyphenylthio)-1,4-naphthalenedione.","Organic & biomolecular chemistry","2014","12","40","7965","7970","10.1039/c4ob01058b","","","0.71073","MoKα","","0.0706","0.0624","","","0.1785","0.1842","","","","","","1.107","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154005","10.9","0.003","5.5397","0.0012","11.358","0.003","90","","100.555","0.004","90","","674.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C34 H24 O6 S2 -","2","1","","Akiyama, Hirotaka; Inoue, Takafumi; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Multiple optical properties of a naphthoquinone pigment: 2-methyl-3-(hydroxyphenylthio)-1,4-naphthalenedione.","Organic & biomolecular chemistry","2014","12","40","7965","7970","10.1039/c4ob01058b","","","0.71075","MoKα","","0.0406","0.0392","","","0.0917","0.0924","","","","","","1.042","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154006","7.6999","0.0005","8.0494","0.0006","9.507","0.0007","104.034","0.006","112.572","0.005","100.066","0.006","503.71","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 I O3 -","- C9 H11 I O3 -","- C18 H22 I2 O6 -","2","1","","Matovic, R.; Bihelovic, F.; Gruden-Pavlovic, M; Saicic, R. N.","Total synthesis and biological evaluation of atrop-O-benzyl-desmethylabyssomicin C.","Organic & biomolecular chemistry","2014","12","39","7682","7685","10.1039/c4ob01436g","","","0.71073","MoKα","","0.0593","0.0501","","","0.1039","0.1076","","","","","","1.085","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154007","7.681","0.003","12.525","0.005","14.693","0.006","90","","90","","90","","1413.5","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-Methyl-3-(phenylsulfonyl)-1-propylpyrrolidin-2-one","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Clarke, Leslie Ann; Ring, Aoife; Ford, Alan; Sinha, Abhijeet S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed C-H insertion reaction of 2-sulfonyl-2-diazoacetamides to form γ-lactams.","Organic & biomolecular chemistry","2014","12","38","7612","7628","10.1039/c4ob01430h","","","0.71073","MoKα","","0.0257","0.0244","","","0.0626","0.0634","","","","","","1.051","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154008","5.5457","0.0003","8.9659","0.0003","42.4254","0.0013","90","","90","","90","","2109.48","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N5 O5 -","- C23 H25 N5 O5 -","- C92 H100 N20 O20 -","4","1","","Kovaliov, Marina; Wachtel, Chaim; Yavin, Eylon; Fischer, Bilha","Synthesis and evaluation of a photoresponsive quencher for fluorescent hybridization probes.","Organic & biomolecular chemistry","2014","12","39","7844","7858","10.1039/c4ob01185f","","","0.71073","MoKα","","0.0472","0.0388","","","0.0982","0.1028","","","","","","1.046","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154009","9.6111","0.0014","9.9681","0.0014","13.23","0.0018","95.407","0.003","100.437","0.003","109.697","0.003","1157","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C48 H50 Br2 N4 O10 -","2","1","","Zhao, Xuan; Li, Tian-Ze; Qian, Jing-Ying; Sha, Feng; Wu, Xin-Yan","Enantioselective aza-Morita-Baylis-Hillman reaction between acrylates and N-Boc isatin ketimines: asymmetric construction of chiral 3-substituted-3-aminooxindoles.","Organic & biomolecular chemistry","2014","12","40","8072","8078","10.1039/c4ob01358a","","","0.71073","MoKα","","0.0599","0.047","","","0.1324","0.1425","","","","","","1","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154010","9.3185","0.0002","11.847","0.0002","13.2263","0.0003","94.2169","0.0009","90.9044","0.0009","109.43","0.0011","1372","0.05","150","","150","","","","","","","","syn","5","P -1","-P 1","2","","","","- C30 H22 Cl3 N3 O4 -","- C30 H22 Cl3 N3 O4 -","- C60 H44 Cl6 N6 O8 -","2","1","","Knipe, Peter C.; Lingard, Hannah; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","A Lewis acid-mediated conformational switch.","Organic & biomolecular chemistry","2014","12","40","7937","7941","10.1039/c4ob01556h","","","0.71073","MoKα","","0.084","0.0693","","0.1303","0.1173","0.1303","","","","","","1.0492","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7154011","7.2029","0.0007","9.499","0.0009","19.3231","0.0019","81.188","0.001","84.179","0.002","79.417","0.002","1280.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H8 B F2 N3 O -","- C15 H8 B F2 N3 O -","- C60 H32 B4 F8 N12 O4 -","4","2","","Liu, Hui; Lu, Hua; Wu, Fan; Li, Zhifang; Kobayashi, Nagao; Shen, Zhen","Synthesis and spectroscopic properties of novel meso-cyano boron-pyridyl-isoindoline dyes.","Organic & biomolecular chemistry","2014","12","41","8223","8229","10.1039/c4ob01077a","","","0.71073","MoKα","","0.0556","0.0407","","","0.1318","0.1595","","","","","","1.115","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154012","6.4067","0.0006","7.2419","0.0007","32.409","0.003","90","","90","","90","","1503.7","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H10 B F2 N3 O -","- C19 H10 B F2 N3 O -","- C76 H40 B4 F8 N12 O4 -","4","1","","Liu, Hui; Lu, Hua; Wu, Fan; Li, Zhifang; Kobayashi, Nagao; Shen, Zhen","Synthesis and spectroscopic properties of novel meso-cyano boron-pyridyl-isoindoline dyes.","Organic & biomolecular chemistry","2014","12","41","8223","8229","10.1039/c4ob01077a","","","0.71073","MoKα","","0.0274","0.0264","","","0.0653","0.0659","","","","","","1.069","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154013","12.371","0.004","7.489","0.002","15.557","0.005","90","","112.019","0.009","90","","1336.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","Mal, Dipakranjan; Roy, Joyeeta; Biradha, Kumar","Regiodivergent and short total synthesis of calothrixins.","Organic & biomolecular chemistry","2014","12","41","8196","8203","10.1039/c4ob01309c","","","0.71073","MoKα","","0.1552","0.054","","","0.1326","0.1728","","","","","","0.827","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154014","9.198","0.0003","13.3225","0.0003","10.6301","0.0003","90","","100.318","0.003","90","","1281.55","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(1-methylcyclohex-1-en-4-yl)-methyloxy]-4-methylthiazole-2(3H)-thione","","- C12 H17 N O S2 -","- C12 H17 N O S2 -","- C48 H68 N4 O4 S8 -","4","1","","Schur, Christine; Kelm, Harald; Gottwald, Thomas; Ludwig, Arne; Kneuer, Rainer; Hartung, Jens","Annulated and bridged tetrahydrofurans from alkenoxyl radical cyclization.","Organic & biomolecular chemistry","2014","12","41","8288","8307","10.1039/c4ob01266f","","x-ray","0.71073","MoKα","","0.0547","0.0373","","","0.0812","0.0891","","","","","","1.009","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154015","9.5179","0.0016","16.883","0.003","9.7407","0.0017","90","","104.744","0.01","90","","1513.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RAUL006","","","- C18 H21 N O -","- C17.975 H20.975 N O -","- C71.9 H83.9 N4 O4 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Jiménez, M Consuelo; Miranda, Miguel A.","Cycloreversion of β-lactams via photoinduced electron transfer.","Organic & biomolecular chemistry","2014","12","42","8428","8432","10.1039/c4ob01416b","","x-ray","0.71073","MoKα","","0.2028","0.156","","","0.3367","0.3598","","","","","","1.158","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154016","5.546","0.003","20.507","0.006","8.248","0.003","90","","100.72","0.03","90","","921.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RAUL007","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Jiménez, M Consuelo; Miranda, Miguel A.","Cycloreversion of β-lactams via photoinduced electron transfer.","Organic & biomolecular chemistry","2014","12","42","8428","8432","10.1039/c4ob01416b","","x-ray","0.71073","MoKα","","0.1306","0.083","","","0.2147","0.2534","","","","","","0.989","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154017","11.1583","0.0018","28.871","0.005","14.242","0.003","90","","94.651","0.003","90","","4573","1.4","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 Cl3 N2 O2 -","- C51 H49 Cl3 N2 O2 -","- C204 H196 Cl12 N8 O8 -","4","1","","Katoono, Ryo; Kusaka, Keiichi; Kawai, Shunsuke; Tanaka, Yuki; Hanada, Keisuke; Nehira, Tatsuo; Fujiwara, Kenshu; Suzuki, Takanori","Chiroptical molecular propellers based on hexakis(phenylethynyl)benzene through the complexation-induced intramolecular transmission of local point chirality.","Organic & biomolecular chemistry","2014","12","47","9532","9538","10.1039/c4ob01601g","","","0.71075","MoKα","","","0.1139","","","","0.3462","","","","","","1.341","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154018","15.1038","0.0016","15.2027","0.0016","17.797","0.002","89.71","0.004","81.484","0.003","86.143","0.004","4032.3","0.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C102 H74 N6 O7 -","- C102 H72 N6 O7 -","- C204 H144 N12 O14 -","2","1","","Katoono, Ryo; Kusaka, Keiichi; Kawai, Shunsuke; Tanaka, Yuki; Hanada, Keisuke; Nehira, Tatsuo; Fujiwara, Kenshu; Suzuki, Takanori","Chiroptical molecular propellers based on hexakis(phenylethynyl)benzene through the complexation-induced intramolecular transmission of local point chirality.","Organic & biomolecular chemistry","2014","12","47","9532","9538","10.1039/c4ob01601g","","","0.71075","MoKα","","","0.1147","","","","0.3124","","","","","","2.054","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154019","12.291","0.002","17.31","0.003","11.563","0.002","90","","95.536","0.005","90","","2448.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 O4 -","- C64 H58 O4 -","- C128 H116 O8 -","2","0.5","","Vanga, Devendar Goud; Santra, Mithun; Keerthi, Ashok; Valiyaveettil, Suresh","Synthesis and photophysical properties of pyrene-based green fluorescent dyes: butterfly-shaped architectures.","Organic & biomolecular chemistry","2014","12","40","7914","7918","10.1039/c4ob01509f","","","0.71073","MoKα","","0.1044","0.0775","","","0.1815","0.1964","","","","","","1.029","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154020","9.8987","0.0008","24.374","0.002","10.0794","0.0009","90","","105.82","0.002","90","","2339.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F4 I O3 S -","- C23 H21 F4 I O3 S -","- C92 H84 F16 I4 O12 S4 -","4","1","","Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li","Synthesis of phenanthridine derivatives via cascade annulation of diaryliodonium salts and nitriles.","Organic & biomolecular chemistry","2014","12","40","7904","7908","10.1039/c4ob01504e","","","0.71073","MoKα","","0.0586","0.0398","","","0.1048","0.1419","","","","","","1.137","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154022","9.7645","0.0009","7.469","0.0007","11.4907","0.0011","90","","95.351","0.002","90","","834.38","0.14","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N O5 S -","- C17 H17 N O5 S -","- C34 H34 N2 O10 S2 -","2","1","","Ge, Li-Shi; Wang, Zheng-Lin; An, Xing-Lan; Luo, Xiaoyan; Deng, Wei-Ping","Direct synthesis of polysubstituted 2-aminothiophenes by Cu(ii)-catalyzed addition/oxidative cyclization of alkynoates with thioamides.","Organic & biomolecular chemistry","2014","12","42","8473","8479","10.1039/c4ob01534g","","","0.71073","MoKα","","0.0362","0.0333","","","0.0841","0.0866","","","","","","1.022","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154023","19.5996","0.0002","20.3256","0.0003","20.7522","0.0002","90","","91.354","0.001","90","","8264.82","0.17","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H51 B F4 Ir N2 P -","- C47 H51 B F4 Ir N2 P -","- C376 H408 B8 F32 Ir8 N16 P8 -","8","2","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0633","0.0323","","","0.0578","0.07","","","","","","1.036","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154024","17.2768","0.0004","17.2947","0.0003","17.8826","0.0004","109.21","0.002","106.118","0.002","109.13","0.002","4299.3","0.2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H51 F3 Ir N2 O3 P S -","- C48 H51 F3 Ir N2 O3 P S -","- C192 H204 F12 Ir4 N8 O12 P4 S4 -","4","2","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0405","0.0293","","","0.0653","0.0714","","","","","","1.032","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154025","12.516","0.0003","14.3186","0.0004","20.8639","0.0005","84.989","0.002","77.642","0.002","84.507","0.002","3627.04","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H63 B F24 Ir N2 P -","- C79 H63 B F24 Ir N2 P -","- C158 H126 B2 F48 Ir2 N4 P2 -","2","1","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0707","0.0472","","","0.1085","0.1165","","","","","","0.977","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154026","20.4198","0.0005","11.9065","0.0002","23.6916","0.0005","90","","114.629","0.003","90","","5236.1","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H37 B F24 N2 -","- C53 H37 B F24 N2 -","- C212 H148 B4 F96 N8 -","4","1","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","1.5418","CuKα","","0.0707","0.0598","","","0.1595","0.1708","","","","","","1.055","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154027","10.054","0.0015","16.853","0.002","23.794","0.003","90","","90","","90","","4031.7","0.9","263","","263","","","","","","","","Chemical Synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 O16 -","- C43 H60 O16 -","- C172 H240 O64 -","4","1","","Ding, Chunyong; Wang, Lili; Chen, Haijun; Wild, Christopher; Ye, Na; Ding, Ye; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","ent-Kaurane-based regio- and stereoselective inverse electron demand hetero-Diels-Alder reactions: synthesis of dihydropyran-fused diterpenoids.","Organic & biomolecular chemistry","2014","12","42","8442","8452","10.1039/c4ob01040j","","","1.5418","CuKα","","0.0337","0.0334","","0.0922","0.0918","0.0922","","","","","","1.0046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154028","9.4979","0.0008","13.0601","0.001","21.0823","0.0016","90","","90","","90","","2615.1","0.4","263","","263","","","","","","","","Chemical Synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl O7 -","- C28 H37 Cl O7 -","- C112 H148 Cl4 O28 -","4","1","","Ding, Chunyong; Wang, Lili; Chen, Haijun; Wild, Christopher; Ye, Na; Ding, Ye; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","ent-Kaurane-based regio- and stereoselective inverse electron demand hetero-Diels-Alder reactions: synthesis of dihydropyran-fused diterpenoids.","Organic & biomolecular chemistry","2014","12","42","8442","8452","10.1039/c4ob01040j","","","1.5418","CuKα","","0.045","0.0428","","0.1271","0.1245","0.1271","","","","","","0.9531","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154029","5.7933","0.0006","15.9715","0.0017","18.559","0.002","90","","90","","90","","1717.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 F3 N2 O2 S -","- C15 H19 F3 N2 O2 S -","- C60 H76 F12 N8 O8 S4 -","4","1","","Qian, Ping; Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric synthesis of (3S,1'S)-3-(1-amino-2,2,2-trifluoroethyl)-1-(alkyl)-indolin-2-one derivatives by addition of (S)-N-t-butylsulfinyl-3,3,3-trifluoroacetaldimine to 1-(alkyl)-indolin-2-ones.","Organic & biomolecular chemistry","2014","12","40","7909","7913","10.1039/c4ob01453g","","","0.71073","MoKα","","0.0772","0.0405","","","0.0965","0.1172","","","","","","0.962","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7154030","26.6311","0.0009","26.6311","0.0009","15.8084","0.001","90","","90","","90","","11211.6","0.9","130","0.1","130","0.1","","","","","","","","4","I 4","I 4","79","","","","- C26 H27.5 N6.5 O7 -","- C23 H23 N5 O7 -","- C368 H368 N80 O112 -","16","2","","Gamon, L. F.; White, J. M.; Wille, U.","Oxidative damage of aromatic dipeptides by the environmental oxidants NO2˙ and O3.","Organic & biomolecular chemistry","2014","12","41","8280","8287","10.1039/c4ob01577k","","","1.5418","CuKα","","0.1418","0.0855","","","0.1897","0.2326","","","","","","0.895","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154031","9.6136","0.0009","15.2925","0.0012","17.8493","0.0015","94.364","0.004","105.608","0.004","90.128","0.004","2519.3","0.4","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H11 N O -","- C18 H11 N O -","- C144 H88 N8 O8 -","8","4","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.1755","0.1065","","","0.2702","0.2987","","","","","","1.077","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154032","11.6541","0.001","7.3177","0.0006","33.887","0.003","90","","90","","90","","2889.9","0.4","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C19 H10 F3 N O -","- C19 H10 F3 N O -","- C152 H80 F24 N8 O8 -","8","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.1727","0.0618","","","0.123","0.166","","","","","","0.949","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154033","7.4383","0.001","12.2361","0.0017","27.524","0.003","90","","96.983","0.005","90","","2486.5","0.6","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H22 N2 O2 -","- C36 H22 N2 O2 -","- C144 H88 N8 O8 -","4","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.124","0.0587","","","0.1292","0.1588","","","","","","0.995","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154034","15.9675","0.0006","4.9591","0.0002","16.0534","0.0009","90","","95.093","0.002","90","","1266.16","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N O -","- C18 H11 N O -","- C72 H44 N4 O4 -","4","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.0799","0.0527","","","0.1091","0.122","","","","","","1.033","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154035","7.3551","0.0015","19.227","0.004","8.7515","0.0018","90","","110.65","0.03","90","","1158.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","","He, Haitao; Qi, Chaorong; Ou, Yanglu; Xiong, Wenfang; Hu, Xiaohan; Ren, Yanwei; Jiang, Huanfeng","Base-promoted annulation of α-hydroxy ketones and dimethyl but-2-ynedioate: straightforward access to pyrano[4,3-a]quinolizine-1,4,6(2H)-triones and 2H-pyran-2,5(6H)-diones.","Organic & biomolecular chemistry","2014","12","41","8128","8131","10.1039/c4ob01858c","","","0.71073","MoKα","","0.0616","0.0456","","","0.1347","0.1496","","","","","","1.077","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154036","12.295","0.003","7.7566","0.0016","33.943","0.008","90","","90","","90","","3237.1","1.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.1491","0.0572","","","0.1013","0.1216","","","","","","0.948","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7154037","32.374","0.008","5.404","0.0012","16.122","0.004","90","","114.805","0.009","90","","2560.3","1.1","261","2","261","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.2715","0.0792","","","0.13","0.1825","","","","","","0.951","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7154038","18.491","0.002","5.2471","0.0005","22.346","0.003","90","","90.654","0.004","90","","2168","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.1708","0.055","","","0.1196","0.1541","","","","","","0.986","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7154039","7.804","0.0016","13.07","0.003","8.448","0.0017","90","","108.64","0.03","90","","816.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-1-methylindolin-2-one","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","","Chen, Jinsen; Song, Chao; Chen, Pei; Zhu, Jin","An intermolecular C-H functionalization method for the synthesis of 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2014","12","42","8390","8393","10.1039/c4ob01643b","","","0.71073","MoKα","","0.0825","0.057","","","0.1547","0.1705","","","","","","1.004","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154065","8.937","0.0011","5.0321","0.0002","13.3138","0.0012","90","0.005","96.958","0.008","90","0.006","594.34","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br2 O4 -","- C10 H10 Br2 O4 -","- C20 H20 Br4 O8 -","2","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0623","0.0357","","","0.0568","0.0641","","","","","","1.091","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154066","4.8906","0.0009","9.361","0.002","9.693","0.004","104.639","0.019","101.792","0.002","100.598","0.002","407.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O4 S2 -","- C18 H16 O4 S2 -","- C18 H16 O4 S2 -","1","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1656","0.0588","","","0.1092","0.1304","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154067","7.6923","0.0007","46.482","0.006","9.9383","0.0017","90","","112.199","0.011","90","","3290.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H32 O8 S4 -","- C36 H32 O8 S4 -","- C144 H128 O32 S16 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0978","0.0589","","","0.1564","0.1712","","","","","","1.04","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154068","20.4414","0.0019","6.6136","0.0009","17.1675","0.0011","90","","111.534","0.006","90","","2158.9","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 O8 S2 -","- C22 H20 O8 S2 -","- C88 H80 O32 S8 -","4","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0688","0.0494","","","0.1259","0.1426","","","","","","1.051","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154069","9.7823","0.0013","14.5562","0.0006","15.4932","0.0016","90","","98.14","0.11","90","","2183.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O8 S2 -","- C22 H20 O8 S2 -","- C88 H80 O32 S8 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1672","0.0686","","","0.1765","0.2166","","","","","","1.038","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154070","6.878","","17.926","","24.286","","90","","92.51","","90","","2991.47","","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu N2 O6 S2 -","- C32 H32 Cu N2 O6 S2 -","- C128 H128 Cu4 N8 O24 S8 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1241","0.0599","","","0.1169","0.1312","","","","","","1.042","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154071","15.263","0.003","28.289","0.005","7.5628","0.0013","90","","93.171","0.01","90","","3260.4","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N2 O4 -","- C42 H38 N2 O4 -","- C168 H152 N8 O16 -","4","1","","Wu, Di; Ge, Haojie; Chen, Zhao; Liang, Jinhua; Huang, Jie; Zhang, Yufeng; Chen, Xiaoqiang; Meng, Xianggao; Liu, Sheng Hua; Yin, Jun","Imides modified benzopicenes: synthesis, solid structure and optoelectronic properties.","Organic & biomolecular chemistry","2014","12","44","8902","8910","10.1039/c4ob01486c","","","1.54178","CuKα","","0.127","0.1105","","","0.301","0.321","","","","","","1.412","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154072","12.7675","0.0002","31.0308","0.0005","7.5593","0.0001","90","","93.996","0.001","90","","2987.61","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 N2 O5 -","- C39 H32 N2 O5 -","- C156 H128 N8 O20 -","4","1","","Wu, Di; Ge, Haojie; Chen, Zhao; Liang, Jinhua; Huang, Jie; Zhang, Yufeng; Chen, Xiaoqiang; Meng, Xianggao; Liu, Sheng Hua; Yin, Jun","Imides modified benzopicenes: synthesis, solid structure and optoelectronic properties.","Organic & biomolecular chemistry","2014","12","44","8902","8910","10.1039/c4ob01486c","","","1.54178","CuKα","","0.065","0.0625","","","0.1466","0.1483","","","","","","1.115","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154073","8.671","0.003","15.948","0.006","15.692","0.006","90","","94.15","0.007","90","","2164.3","1.4","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22.5 H21 Br Cl N2 O2 P -","- C22.5 H21 Br Cl N2 O2 P -","- C90 H84 Br4 Cl4 N8 O8 P4 -","4","2","","Kong, Ling-Pei; Li, Nai-Kai; Zhang, Shao-Yun; Chen, Xiang; Zhao, Min; Zhang, Ya-Fei; Wang, Xing-Wang","Highly enantioselective phosphination and hydrophosphonylation of azomethine imines: using chiral squaramide as a hydrogen bonding organocatalyst.","Organic & biomolecular chemistry","2014","12","43","8656","8670","10.1039/c4ob01472c","","","0.71073","MoKα","","0.0812","0.0655","","","0.1762","0.1936","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154074","11.2169","0.0009","15.8678","0.0013","6.8648","0.0006","90","","107.601","0.003","90","","1164.65","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 F3 N2 O4 -","- C11 H5 F3 N2 O4 -","- C44 H20 F12 N8 O16 -","4","1","","Zhang, Li; Zeng, Qin; Mao, Ao; Wu, Ziang; Luo, Tian; Xiao, Yuanjing; Zhang, Junliang","NIS-mediated oxidative cyclization of N-(2-trifluoromethyl-3-alkynyl) hydroxylamines: a facile access to 4-trifluoromethyl-5-acylisoxazoles.","Organic & biomolecular chemistry","2014","12","44","8942","8946","10.1039/c4ob01790k","","","0.71073","MoKα","","0.09","0.0519","","","0.1193","0.1429","","","","","","1.027","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154075","5.3932","0.0008","7.7138","0.0011","49.332","0.007","90","","90","","90","","2052.3","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H37 Cl N O4 -","- C18 H37 Cl N O4 -","- C72 H148 Cl4 N4 O16 -","4","1","","Désiré, J; Mondon, M.; Fontelle, N.; Nakagawa, S.; Hirokami, Y.; Adachi, I.; Iwaki, R.; Fleet, G. W. J.; Alonzi, D. S.; Twigg, G.; Butters, T. D.; Bertrand, J.; Cendret, V.; Becq, F.; Norez, C.; Marrot, J.; Kato, A.; Blériot, Y","N- and C-alkylation of seven-membered iminosugars generates potent glucocerebrosidase inhibitors and F508del-CFTR correctors.","Organic & biomolecular chemistry","2014","12","44","8977","8996","10.1039/c4ob00325j","","","0.71073","MoKα","","0.123","0.1146","","","0.3128","0.3183","","","","","","1.081","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154076","13.861","0.003","9.623","0.002","17.3","0.03","90","","128.57","0.05","90","","1804","3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Challa, Chandrasekhar; Vellekkatt, Jamsheena; Ravindran, Jaice; Lankalapalli, Ravi S.","A metal-free one-pot cascade synthesis of highly functionalized biaryl-2-carbaldehydes.","Organic & biomolecular chemistry","2014","12","43","8588","8592","10.1039/c4ob01829j","","","0.71073","MoKα","","0.1493","0.0708","","","0.159","0.2013","","","","","","0.759","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154077","9.0217","0.0007","13.8727","0.0015","15.2216","0.0013","90","","90","","90","","1905.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3S,3aR,4S)-ethyl 4-(benzyloxy)-2-((E)-carbamoyldiazenyl)-2-methylhexahydropyrrolo[1,2-b]isoxazole-3-carboxylate","","- C18 H24 N4 O5 -","- C18 H24 N4 O5 -","- C72 H96 N16 O20 -","4","1","","Majer, Roberta; Konechnaya, Olga; Delso, Ignacio; Tejero, Tomas; Attanasi, Orazio A.; Santeusanio, Stefania; Merino, Pedro","Highly diastereoselective 1,3-dipolar cycloadditions of chiral non-racemic nitrones to 1,2-diaza-1,3-dienes: an experimental and computational investigation.","Organic & biomolecular chemistry","2014","12","44","8888","8901","10.1039/c4ob01371a","","","0.71073","MoKα","","0.136","0.073","","","0.0936","0.1185","","","","","","0.966","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154078","11.9298","0.0003","5.8381","0.0002","13.6572","0.0003","90","","94.667","0.002","90","","948.03","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C40 H40 N4 O12 -","2","1","","Cheng, Shuanghua; Yu, Shouyun","Enantioselective synthesis of 3-substituted 1,2-oxazinanes via organocatalytic intramolecular aza-Michael addition.","Organic & biomolecular chemistry","2014","12","43","8607","8610","10.1039/c4ob01646g","","","1.54178","CuKα","","0.0701","0.0649","","","0.1697","0.1772","","","","","","1.071","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154079","7.5625","0.0006","8.5844","0.0006","14.9024","0.0015","105.447","0.004","98.731","0.005","99.813","0.004","898.84","0.13","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 Si -","- C21 H24 Si -","- C42 H48 Si2 -","2","1","","Tamke, Sergej; Daniliuc, Constantin-G; Paradies, Jan","Frustrated Lewis pair catalyzed hydrosilylation and hydrosilane mediated hydrogenation of fulvenes.","Organic & biomolecular chemistry","2014","12","45","9139","9144","10.1039/c4ob01346h","","","1.54178","CuKα","","0.0626","0.0568","","","0.1526","0.1581","","","","","","1.063","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154080","8.9295","0.0007","13.0992","0.0013","19.384","0.002","90","","90","","90","","2267.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","1","","Ariyarathna, Yamuna; Tunge, Jon A.","Decarboxylative allylations of ester enolate equivalents.","Organic & biomolecular chemistry","2014","12","42","8386","8389","10.1039/c4ob01752h","","","1.54178","CuKα","","0.0765","0.0579","","","0.1421","0.1542","","","","","","1.057","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154081","8.8916","0.0003","34.6623","0.0015","8.5392","0.0003","90","","96.831","0.002","90","","2613.13","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N O5 -","- C29 H37 N O5 -","- C116 H148 N4 O20 -","4","1","","Muthusamy, Sengodagounder; Karikalan, Thangaraju","Rhodium(ii) catalyzed synthesis of macrocycles incorporating oxindole via O-H/N-H insertion reactions.","Organic & biomolecular chemistry","2014","12","45","9243","9256","10.1039/c4ob01671h","","","0.71073","MoKα","","0.1308","0.0848","","","","0.28","","","","","","1.6651","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154082","7.9479","0.0002","9.0065","0.0002","14.445","0.0003","75.8","0.001","77.803","0.001","72.644","0.001","946.06","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","macrocycle","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Muthusamy, Sengodagounder; Karikalan, Thangaraju","Rhodium(ii) catalyzed synthesis of macrocycles incorporating oxindole via O-H/N-H insertion reactions.","Organic & biomolecular chemistry","2014","12","45","9243","9256","10.1039/c4ob01671h","","","0.71073","MoKα","","0.0843","0.0528","","","0.1785","0.2239","","","","","","0.844","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154083","4.433","0.006","13.761","0.01","10.298","0.01","90","","92.05","0.12","90","","627.8","1.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H17 Cl O2 -","- C14 H15 Cl O2 -","- C28 H30 Cl2 O4 -","2","2","","Chanda, Tanmoy; Chowdhury, Sushobhan; Koley, Suvajit; Anand, Namrata; Singh, Maya Shankar","Lewis acid promoted construction of chromen-4-one and isoflavone scaffolds via regio- and chemoselective domino Friedel-Crafts acylation/Allan-Robinson reaction.","Organic & biomolecular chemistry","2014","12","45","9216","9222","10.1039/c4ob01743a","","","0.71073","MoKα","","0.0657","0.0459","","","0.1124","0.1344","","","","","","0.982","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154084","14.234","0.004","4.0143","0.001","22.047","0.005","90","","90","","90","","1259.8","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H13 Cl O3 -","- C14 H13 Cl O3 -","- C56 H52 Cl4 O12 -","4","1","","Chanda, Tanmoy; Chowdhury, Sushobhan; Koley, Suvajit; Anand, Namrata; Singh, Maya Shankar","Lewis acid promoted construction of chromen-4-one and isoflavone scaffolds via regio- and chemoselective domino Friedel-Crafts acylation/Allan-Robinson reaction.","Organic & biomolecular chemistry","2014","12","45","9216","9222","10.1039/c4ob01743a","","","0.71073","MoKα","","0.1896","0.0958","","","0.2314","0.3824","","","","","","1.13","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154085","8.7007","0.0012","15.1805","0.0019","8.686","0.001","90","","104.082","0.004","90","","1112.8","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","wx-4","4p","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Yin, Yong; Wu, Xun; Han, Hong-Wei; Sha, Shao; Wang, She-Feng; Qiao, Fang; Lu, Ai-Min; Lv, Peng-Cheng; Zhu, Hai-Liang","Discovery and synthesis of a novel series of potent, selective inhibitors of the PI3Kα: 2-alkyl-chromeno[4,3-c]pyrazol-4(2H)-one derivatives.","Organic & biomolecular chemistry","2014","12","45","9157","9165","10.1039/c4ob01589d","","","0.71073","MoKα","","0.0639","0.0446","","","0.1102","0.1239","","","","","","1.05","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7154086","8.2975","0.0016","11.26","0.002","21.17","0.004","90","","90","","90","","1977.9","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F N2 O2 -","- C25 H23 F N2 O2 -","- C100 H92 F4 N8 O8 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.0508","0.0407","","","0.0787","0.0819","","","","","","1.004","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154087","9.38","0.007","16.703","0.012","16.766","0.012","90","","90","","90","","2627","3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl2 F N3 Ni O3 -","- C28 H26 Cl2 F N3 Ni O3 -","- C112 H104 Cl8 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1947","0.0879","","","0.1596","0.2024","","","","","","0.868","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154088","9.1183","0.0019","14.255","0.003","23.374","0.005","90","","90","","90","","3038.2","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl4 F N3 Ni O3 -","- C28 H26 F N3 Ni O3 -","- C112 H104 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1159","0.0716","","","0.1515","0.1645","","","","","","0.869","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154089","9.054","0.003","14.587","0.004","12.85","0.004","90","","101.348","0.006","90","","1663.9","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H40 F N3 Ni O5 -","- C36 H40 F N3 Ni O5 -","- C72 H80 F2 N6 Ni2 O10 -","2","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.094","0.0602","","","0.0964","0.1082","","","","","","0.877","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154090","9.165","0.01","13.957","0.014","23.73","0.03","90","","90","","90","","3035","6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 F N3 Ni O3 -","- C35 H38 F N3 Ni O3 -","- C140 H152 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1468","0.0841","","","0.1441","0.1662","","","","","","0.871","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154091","11.823","0.0015","25.123","0.003","9.6587","0.0013","90","","90","","90","","2868.9","0.6","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33 H34 F N3 Ni O3 -","- C33 H34 F N3 Ni O3 -","- C132 H136 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1033","0.0584","","","0.0728","0.0836","","","","","","0.779","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154092","11.4718","0.0005","12.9514","0.0005","15.8446","0.0008","90","","90","","90","","2354.13","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0408","0.0353","","","0.0824","0.0873","","","","","","1.062","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154093","10.4301","0.0003","11.8072","0.0003","18.744","0.0005","90","","90","","90","","2308.33","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 N O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0328","0.0315","","","0.0798","0.081","","","","","","1.065","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154094","6.3498","0.0003","19.5019","0.0008","9.5651","0.0005","90","","102.297","0.004","90","","1157.3","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N0 O7 -","- C26 H38 O7 -","- C52 H76 O14 -","2","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0329","0.031","","","0.0764","0.0783","","","","","","1.057","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154095","8.9982","0.0004","12.36","0.0007","13.3864","0.0008","90","","98.572","0.005","90","","1472.17","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O12.2 -","- C28 H40 O12.2 -","- C56 H80 O24.4 -","2","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0826","0.0699","","","0.2008","0.2219","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154096","22.4413","0.0009","10.7973","0.0006","18.1182","0.0009","90","","102.275","0.005","90","","4289.8","0.4","100","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H56 N4 O5 -","- C51 H56 N4 O5 -","- C204 H224 N16 O20 -","4","0.5","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0587","0.0461","","","0.1032","0.1125","","","","","","1.074","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154097","8.7602","0.0004","10.7729","0.0007","12.2413","0.0007","65.145","0.006","88.691","0.004","83.815","0.004","1041.82","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C48 H48 N4 O4 -","2","1","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0544","0.0429","","","0.0975","0.105","","","","","","1.065","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154098","22.2842","0.001","11.1478","0.0005","18.7003","0.0012","90","","102.746","0.005","90","","4531","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H52 Cl2 F2 N4 O4 -","- C51 H52 Cl2 F2 N4 O4 -","- C204 H208 Cl8 F8 N16 O16 -","4","0.5","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0723","0.0553","","","0.1267","0.1392","","","","","","1.038","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154099","11.9848","0.0009","13.535","0.001","13.8969","0.001","87.087","0.006","72.785","0.006","80.922","0.006","2126.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","2","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0605","0.0464","","","0.105","0.1127","","","","","","1.033","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154100","18.898","0.003","8.9379","0.0015","13.094","0.002","90","","107.023","0.011","90","","2114.8","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H18 Br N3 O5 S2 -","- C16 H18 Br N3 O5 S2 -","- C64 H72 Br4 N12 O20 S8 -","4","1","","Zhang, Huanrui; Wang, Baomin; Cui, Longchen; Li, Ying; Qu, Jingping; Song, Yuming","Organocatalytic enantioselective α-amination of 5-substituted rhodanines: an efficient approach to chiral N,S-acetals.","Organic & biomolecular chemistry","2014","12","45","9097","9100","10.1039/c4ob01921k","","","0.71073","MoKα","","0.0526","0.0372","","","0.0908","0.0975","","","","","","1","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154101","6.3774","0.0003","10.614","0.0005","26.4051","0.0019","90","","103.339","0.006","90","","1739.13","0.18","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","1.54187","CuKα","","0.1039","0.0512","","","0.1179","0.1894","","","","","","1.131","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154102","23.678","0.006","14.55","0.002","19.515","0.004","90","","126.678","0.005","90","","5392","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C272 H264 N8 O16 -","8","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","0.71073","MoKα","","0.0705","0.0486","","","0.1211","0.1384","","","","","","1.045","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154103","5.421","0.002","11.015","0.003","28.258","0.006","90","","100.74","0.004","90","","1657.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","0.71073","MoKα","","0.0832","0.0466","","","0.1108","0.1301","","","","","","1.035","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154104","29.664","0.009","6.1441","0.0019","19.888","0.006","90","","121.936","0.004","90","","3076.1","1.6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","Zhu, Yuequan; Zhang, Min; Yuan, Hongling; Gong, Yuefa","Synthesis of functionalized fulvenes: [3 + 2] annulation of ethyl α-chlorocyclopropaneformates with 1,3-dicarbonyl compounds.","Organic & biomolecular chemistry","2014","12","44","8828","8831","10.1039/c4ob01973c","","","0.71073","MoKα","","0.0817","0.0537","","","0.1359","0.153","","","","","","1.003","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154105","6.462","0.003","21.405","0.002","11.722","0.004","90","","105.001","0.001","90","","1566.1","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H23 N5 O16 -","- C30 H23 N5 O16 -","- C60 H46 N10 O32 -","2","1","","Coelho, Jaime A. S.; Trindade, Alexandre F.; André, Vânia; Teresa Duarte, M.; Veiros, Luis F.; Afonso, Carlos A. M.","Trienamines derived from 5-substituted furfurals: remote ε-functionalization of 2,4-dienals.","Organic & biomolecular chemistry","2014","12","46","9324","","10.1039/c4ob01759e","","","0.71069","MoKα","","0.0988","0.0544","","","0.1136","0.1284","","","","","","0.967","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154106","10.3833","0.0007","10.5874","0.0007","13.2957","0.0009","90","","111.926","0.003","90","","1355.9","0.16","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N5 O7 -","- C27 H33 N5 O7 -","- C54 H66 N10 O14 -","2","1","","Prasanna, R.; Purushothaman, S.; Raghunathan, R.","Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2014","12","46","9375","","10.1039/c4ob01778a","","","0.71073","MoKα","","0.0592","0.0432","","","0.1031","0.1153","","","","","","1.034","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154107","10.104","0.0004","15.7277","0.0007","10.7107","0.0004","90","","106.895","0.002","90","","1628.6","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H39 N5 O7 -","- C35 H39 N5 O7 -","- C70 H78 N10 O14 -","2","1","","Prasanna, R.; Purushothaman, S.; Raghunathan, R.","Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2014","12","46","9375","","10.1039/c4ob01778a","","","0.71073","MoKα","","0.0585","0.042","","","0.0987","0.1081","","","","","","1.03","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154108","20.584","0.004","16.0252","0.0013","13.038","0.002","90","","128.09","0.03","90","","3384.9","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N2 O3.5 S -","- C15 H23 N2 O3.5 S -","- C120 H184 N16 O28 S8 -","8","1","","Díaz Velázquez, Heriberto; Ruiz García, Yara; Vandichel, Matthias; Madder, Annemieke; Verpoort, Francis","Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis.","Organic & biomolecular chemistry","2014","12","46","9350","","10.1039/c4ob01350f","","","0.71073","MoKα","","0.0799","0.0739","","","0.1549","0.1576","","","","","","1.036","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154109","7.3279","0.0009","14.173","0.0017","22.626","0.003","90","","90","","90","","2349.9","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-1-(6-chloro-2,2-dioxido-3,4-dihydrobenzo[e][1,2,3]oxathiazin-4-yl)propan-2-one","","- C10 H10 Cl N O4 S -","- C10 H10 Cl N O4 S -","- C80 H80 Cl8 N8 O32 S8 -","8","2","","Wang, You-Qing; Cui, Xiao-Yu; Ren, Yuan-Yuan; Zhang, Yongna","A highly enantioselective and regioselective organocatalytic direct Mannich reaction of methyl alkyl ketones with cyclic imines benzo[e][1,2,3]oxathiazine 2,2-dioxides.","Organic & biomolecular chemistry","2014","12","45","9101","9104","10.1039/c4ob01902d","","","0.71073","MoKα","","0.0898","0.0463","","","0.0896","0.1048","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154110","6.687","0.002","19.034","0.007","35.511","0.012","90","","90","","90","","4520","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C192 H256 O48 -","16","4","","Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.","Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.","Organic & biomolecular chemistry","2014","12","46","9439","","10.1039/c4ob01763c","","","0.71073","MoKα","","0.1291","0.0483","","","0.1059","0.1449","","","","","","1.019","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154111","8.5282","0.0009","10.7576","0.0011","41.024","0.004","90","","90","","90","","3763.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19.5 N5 O3.5 -","- C14 H18.5 N5 O3.5 -","- C112 H148 N40 O28 -","8","2","","Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.","Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.","Organic & biomolecular chemistry","2014","12","46","9439","","10.1039/c4ob01763c","","","0.71073","MoKα","","0.192","0.1647","","","0.3716","0.3918","","","","","","1.732","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154112","8.649","0.007","21.553","0.015","9.886","0.008","90","","109.782","0.009","90","","1734","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[2-(4-nitrophenyl)-3-(phenylamino)allylidene]aniline","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Romero-Fernández, María P; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Pseudo-cyclic structures of mono- and di-azaderivatives of malondialdehydes. Synthesis and conformational disentanglement by computational analyses.","Organic & biomolecular chemistry","2014","12","44","8997","9010","10.1039/c4ob01507j","","","0.71073","MoKα","","0.1207","0.0889","","","0.1428","0.1557","","","","","","1.208","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154113","4.1847","0.0019","13.013","0.006","24.919","0.011","90","","93.169","0.008","90","","1354.9","1.1","100","2","100","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Romero-Fernández, María P; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Pseudo-cyclic structures of mono- and di-azaderivatives of malondialdehydes. Synthesis and conformational disentanglement by computational analyses.","Organic & biomolecular chemistry","2014","12","44","8997","9010","10.1039/c4ob01507j","","","0.71075","MoKα","","0.0553","0.044","","","0.1033","0.1089","","","","","","1.119","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154114","9.5245","0.0006","10.9766","0.0006","13.0812","0.0003","66.231","0.005","83.209","0.005","83.846","0.005","1240.14","0.12","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl2 Cu N5 O -","- C26 H27 Cl2 Cu N5 O -","- C52 H54 Cl4 Cu2 N10 O2 -","2","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0419","0.0376","","","0.0978","0.0996","","","","","","0.987","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154115","27.5775","0.0009","27.9449","0.001","10.4795","0.0004","90","","90","","90","","8076","0.5","173.01","0.1","173.01","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C23 H20 Cd Cl2 N4 -","- C23 H20 Cd Cl2 N4 -","- C276 H240 Cd12 Cl24 N48 -","12","1.5","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","0.71073","MoKα","","0.0752","0.0487","","","0.1309","0.1438","","","","","","0.975","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154116","12.524","0.0003","9.51563","0.00011","16.6958","0.0003","90","","108.479","0.0019","90","","1887.11","0.06","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 N4 Zn -","- C21 H16 Cl2 N4 Zn -","- C84 H64 Cl8 N16 Zn4 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0295","0.0258","","","0.0644","0.0669","","","","","","1.042","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154117","12.9203","0.0002","9.79833","0.00013","16.0669","0.0003","90","","107.204","0.0019","90","","1943.02","0.06","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cd Cl2 N4 -","- C21 H16 Cd Cl2 N4 -","- C84 H64 Cd4 Cl8 N16 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0327","0.0279","","","0.0706","0.0736","","","","","","1.057","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154118","12.941","0.0003","9.8715","0.0002","16.0933","0.0004","90","","107.168","0.003","90","","1964.27","0.08","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 Hg N4 -","- C21 H16 Cl2 Hg N4 -","- C84 H64 Cl8 Hg4 N16 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","0.71073","MoKα","","0.0358","0.0287","","","0.0643","0.0689","","","","","","1.02","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154119","11.2184","0.0005","11.0939","0.0005","15.1186","0.0007","90","","103.13","0.001","90","","1832.41","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3aa","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0506","0.04","","","0.0983","0.1053","","","","","","1.019","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154120","17.3636","0.0016","10.3459","0.0009","9.9494","0.001","90","","92.111","0.002","90","","1786.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br N O2 -","- C22 H16 Br N O2 -","- C88 H64 Br4 N4 O8 -","4","1","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0388","0.0256","","","0.0615","0.0786","","","","","","1.13","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154121","25.919","0.003","11.2554","0.0014","11.6261","0.0014","90","","101.271","0.002","90","","3326.3","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 N2 O4 -","- C44 H30 N2 O4 -","- C176 H120 N8 O16 -","4","0.5","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0723","0.0494","","","0.1252","0.1394","","","","","","1.031","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154122","13.4574","0.0005","13.4574","0.0005","23.307","0.002","90","","90","","90","","4220.9","0.4","293","","293","","","","","","","","","4","P 41","P 4w","76","","bicyclo[3.3.1]nonane-2,6-dione","","- C50 H43 N8 O4 -","- C50 H43 N8 O4 -","- C200 H172 N32 O16 -","4","1","","Wixe, Torbjörn; Christensen, Niels Johan; Lidin, Sven; Fristrup, Peter; Wärnmark, Kenneth","A short designed semi-aromatic organic nanotube - synthesis, chiroptical characterization, and host properties.","Organic & biomolecular chemistry","2014","12","44","8930","8941","10.1039/c4ob01683a","","x-ray","0.71073","MoKα","","0.3349","0.0834","","","0.1437","0.2336","","","","1.71","1.71","1.16","","","","has coordinates","201208","2020-10-21","18:00:00",""
"7154123","10.54","0.0018","18.518","0.003","16.641","0.003","90","","98.845","0.003","90","","3209.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl N2 O6 -","- C38 H33 Cl N2 O6 -","- C152 H132 Cl4 N8 O24 -","4","1","","Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng","Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles.","Organic & biomolecular chemistry","2014","12","46","9366","","10.1039/c4ob01523a","","","0.71073","MoKα","","0.1763","0.0695","","","0.1563","0.202","","","","","","0.944","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154124","11.2629","0.0017","11.9759","0.0019","12.3346","0.0019","81.629","0.002","68.063","0.002","65.327","0.002","1402.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 F N2 O6 -","- C32 H29 F N2 O6 -","- C64 H58 F2 N4 O12 -","2","1","","Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng","Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles.","Organic & biomolecular chemistry","2014","12","46","9366","","10.1039/c4ob01523a","","","0.71073","MoKα","","0.089","0.0556","","","0.1595","0.1842","","","","","","1.018","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154125","17.5165","0.0003","5.8865","0.0001","23.614","0.0004","90","","94.997","0.001","90","","2425.61","0.07","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H27 N3 O2 -","- C32 H27 N3 O2 -","- C128 H108 N12 O8 -","4","1","","Zhang, Hong-Hao; Sun, Xiao-Xue; Liang, Jing; Wang, Yue-Ming; Zhao, Chang-Chun; Shi, Feng","Catalytic asymmetric Povarov reaction of isatin-derived 2-azadienes with 3-vinylindoles.","Organic & biomolecular chemistry","2014","12","47","9539","9546","10.1039/c4ob01741b","","","1.54178","CuKα","","0.0487","0.0441","","","0.1239","0.1322","","","","","","1.105","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154126","13.4156","0.0006","13.4156","0.0006","28.813","0.0014","90","","90","","120","","4491","0.4","173","","173","","","","","","","","","4","P 32","P 32","145","","(R)-N-(1-Phenylethyl)-2-chromonecarboxamide","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C216 H180 N12 O36 -","12","4","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","1.54178","CuKα","","0.0438","0.0438","","","0.1163","0.1164","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154127","5.9167","0.0009","10.9747","0.0017","12.2265","0.0018","64.424","0.0019","82.594","0.0019","89.995","0.0019","708.78","0.19","173","","173","","","","","","","","","4","P 1","P 1","1","","(R)-N-(1-t-Butylethyl)-2-chromonecarboxamide","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","2","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0441","0.0398","","","0.1003","0.1043","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154128","12.2096","0.0009","13.7443","0.001","18.0044","0.0014","90","","90","","90","","3021.4","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","anti-HH Photodimer of (R)-N-(1-phenylethyl)-2-chromonecarboxamide","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0604","0.0469","","","0.115","0.1227","","","","","","1.017","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154129","9.7337","0.001","13.9495","0.0014","22.104","0.002","90","","90","","90","","3001.3","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (R)-N-(1-phenylethyl)-2-chromonecarboxamide","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0587","0.0424","","","0.0944","0.1111","","","","","","1.005","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154130","7.704","0.018","14.23","0.03","26.5","0.06","90","","90","","90","","2905","11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (R)-N-(1-t-butylethyl)-2-chromonecarboxamide","","- C32 H38 N2 O6 -","- C32 H38 N2 O6 -","- C128 H152 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.1081","0.0629","","","0.1531","0.1907","","","","","","1.006","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154131","8.021","0.003","15.273","0.005","21.484","0.007","90","","90","","90","","2631.9","1.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (S)-N-(1-methoxycarbonylethyl)-2-chromonecarboxamide","","- C28 H26 N2 O10 -","- C28 H26 N2 O10 -","- C112 H104 N8 O40 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0761","0.0535","","","0.1372","0.1564","","","","","","0.896","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154132","12.38","0.005","12.38","0.005","42.393","0.017","90","","90","","120","","5627","4","173","","173","","","","","","","","","4","P 65","P 65","170","","Anti-HH photodimer of (S)-N-(1-methoxycarbonylethyl)-2-chromonecarboxamide","","- C39 H41 N3 O12 -","- C39 H41 N3 O12 -","- C234 H246 N18 O72 -","6","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0865","0.0631","","","0.1416","0.1557","","","","","","0.952","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154135","32.485","0.003","5.3094","0.0004","11.662","0.0007","90","","91.786","0.007","90","","2010.4","0.3","130","0.1","130","0.1","","","","","","","","4","C 1 2 1","C 2y","5","(4S)-4-Benzyl-3-[(1R,2S)-2-octylcyclopropane-1-oyl]oxazolidinone","","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","","Shah, Sayali; White, Jonathan M.; Williams, Spencer J.","Total syntheses of cis-cyclopropane fatty acids: dihydromalvalic acid, dihydrosterculic acid, lactobacillic acid, and 9,10-methylenehexadecanoic acid.","Organic & biomolecular chemistry","2014","12","46","9427","","10.1039/c4ob01863j","","","1.5418","CuKα","","0.0681","0.0556","","","0.1287","0.1387","","","","","","0.991","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154136","7.7019","0.0004","9.4338","0.0005","10.0092","0.0005","63.0521","0.0008","68.8273","0.0007","71.1657","0.0008","593.34","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","1","","Zhang, Wandi; Haskins, Christopher W.; Yang, Yang; Dai, Mingji","Synthesis of nitriles via palladium-catalyzed water shuffling from amides to acetonitrile.","Organic & biomolecular chemistry","2014","12","45","9109","9112","10.1039/c4ob01825g","","","0.71073","MoKα","","0.0621","0.0543","","","0.1426","0.1503","","","","","","1.06","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154137","13.3524","0.0001","9.2448","0.0001","21.2654","0.0002","90","","91.8315","0.0008","90","","2623.67","0.04","150","","150","","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","2","methyl 2-((2-benzamido-6-(2,5-dimethoxybenzamido)phenyl)ethynyl)benzoate","","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","- C128 H104 N8 O24 -","4","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","","1.5418","CuKα","","0.0389","0.0378","","0.0496","0.049","0.0496","","","","","","1.2313","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154138","11.2591","0.0007","24.5888","0.0004","9.3566","0.0001","90","","108.437","0.008","90","","2457.4","0.2","93","2","93","2","","","100","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Compound 3","methyl 2-((2-benzamido-6-(2-hydroxy-5-methoxybenzamido)phenyl)ethynyl)benzoate","","- C31 H24 N2 O6 -","- C31 H24 N2 O6 -","- C124 H96 N8 O24 -","4","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","x-ray","1.54187","CuKα","","0.0345","0.0339","","","0.0882","0.0887","","","","","","1.059","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154139","8.3232","0.0001","15.9988","0.0003","16.915","0.0003","106.384","0.0008","101.55","0.0008","101.955","0.0008","2032.23","0.06","150","","150","","","","100","","","","synthesis","4","P -1","-P 1","2","Compound 5","tetra-n-butylammonium 2-((3-benzamido-2-((2-(methoxycarbonyl)phenyl)ethynyl)phenyl)carbamoyl)-4-methoxyphenolate","","- C47 H59 N3 O6 -","- C47 H59 N3 O6 -","- C94 H118 N6 O12 -","2","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","","0.71073","MoKα","","0.0735","0.0441","","0.0856","0.0686","0.0856","","","","","","1.0039","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154140","10.7835","0.0004","8.1115","0.0003","19.3202","0.0007","90","","90.523","0.004","90","","1689.87","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 I N O5 -","- C17 H14 I N O5 -","- C68 H56 I4 N4 O20 -","4","1","","Xia, Xiao-Feng; Gu, Zhen; Liu, Wentao; Wang, Ningning; Wang, Haijun; Xia, Yongmei; Gao, Haiyan; Liu, Xiang","Selective oxygenation of alkynes: a direct approach to diketones and vinyl acetate.","Organic & biomolecular chemistry","2014","12","48","9909","9913","10.1039/c4ob01404a","","","0.71","MoKα","","0.039","0.0321","","","0.0741","0.0793","","","","","","1.028","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154144","11.012","0.002","13.289","0.003","18.958","0.004","90","","90","","90","","2774.3","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N O5 -","- C33 H33 N O5 -","- C132 H132 N4 O20 -","4","1","","Zanato, Chiara; Watson, Sonia; Bewick, Guy S.; Harrison, William T. A.; Zanda, Matteo","Synthesis and biological evaluation of (-)-kainic acid analogues as phospholipase D-coupled metabotropic glutamate receptor ligands.","Organic & biomolecular chemistry","2014","12","47","9638","9643","10.1039/c4ob02002b","","","1.54187","CuKα","","0.0257","0.0251","","","0.0638","0.0644","","","","","","1.048","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154145","7.8264","0.0016","11.561","0.002","16.718","0.003","96.36","0.03","95.09","0.03","102.82","0.03","1455.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N3 O3 S2 -","- C33 H30 N3 O3 S2 -","- C66 H60 N6 O6 S4 -","2","1","","Zhu, Yu; Shen, Xin-Rui; Tang, Hai-Tao; Lin, Min; Zhan, Zhuang-Ping","Silver(i)-catalyzed annulation for the regioselective synthesis of N-imino-γ-carbolinium ylides from hydrazones of indole-3-carbonyl derivatives and propargylic alcohols.","Organic & biomolecular chemistry","2014","12","47","9514","9518","10.1039/c4ob02020k","","","0.71073","MoKα","","0.0684","0.0502","","","0.1727","0.2362","","","","","","0.97","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154146","10.2471","0.0005","15.4948","0.0008","17.7996","0.0009","90","","105.211","0.005","90","","2727.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N3 O2 S -","- C35 H27 N3 O2 S -","- C140 H108 N12 O8 S4 -","4","1","","Zhu, Yu; Shen, Xin-Rui; Tang, Hai-Tao; Lin, Min; Zhan, Zhuang-Ping","Silver(i)-catalyzed annulation for the regioselective synthesis of N-imino-γ-carbolinium ylides from hydrazones of indole-3-carbonyl derivatives and propargylic alcohols.","Organic & biomolecular chemistry","2014","12","47","9514","9518","10.1039/c4ob02020k","","","0.71073","MoKα","","0.0616","0.045","","","0.1074","0.1175","","","","","","1.029","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154149","12.7896","0.0014","13.3917","0.0015","13.448","0.0015","68.542","0.002","63.471","0.001","76.053","0.002","1909.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C80 H80 N8 O16 S4 -","4","2","","Ni, Fan; Yang, Yan; Shu, Wen-Ming; Ma, Jun-Rui; Wu, An-Xin","Brønsted acid promoted addition-cyclization and C-C bond cleavage: a convenient synthesis of 2-amino-5-aroylmethylthiazoles derivatives.","Organic & biomolecular chemistry","2014","12","46","9466","","10.1039/c4ob01519c","","","0.71073","MoKα","","0.0776","0.0487","","","0.1323","0.1718","","","","","","1.06","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154151","19.8","0.02","5.863","0.006","20.83","0.02","90","","101.188","0.012","90","","2372","4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 Br N0 O3 P -","- C24 H32 Br O3 P -","- C96 H128 Br4 O12 P4 -","4","2","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1719","0.135","","","0.2983","0.3188","","","","","","1.083","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154152","12.436","0.013","5.7781","0.0007","15.9687","0.0016","90","","92.534","0.001","90","","1146.3","1.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 N0 O4 P -","- C25 H30 O4 P -","- C50 H60 O8 P2 -","2","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1811","0.1367","","","0.3229","0.3557","","","","","","1.092","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154153","5.7766","0.0004","12.208","0.0012","16.2225","0.0015","83.552","0.002","82.785","0.001","78.777","0.001","1108.71","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H37 N0 O3 P -","- C22 H37 O3 P -","- C44 H74 O6 P2 -","2","2","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.0534","0.0435","","","0.0898","0.0973","","","","","","1.032","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154154","5.8926","0.0018","18.289","0.002","22.043","","90","","90","","90","","2375.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O5 P -","- C24 H33 N O5 P -","- C96 H132 N4 O20 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1158","0.0614","","","0.1032","0.1242","","","","","","1.035","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154155","10.4511","0.0012","19.5742","0.0006","11.0005","0.0011","90","","117.362","0.002","90","","1998.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br O3 P -","- C20 H24 Br O3 P -","- C80 H96 Br4 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1627","0.0889","","","0.2117","0.2647","","","","","","1.039","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154156","24.45","0.004","5.8577","0.0007","20.328","0.003","90","","114.063","0.017","90","","2658.4","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H36 O3 P -","- C30 H37 O3 P -","- C120 H148 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1435","0.0707","","","0.1028","0.139","","","","","","1.027","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154157","15.6312","0.0013","5.9562","0.0004","19.6323","0.0017","90","","92.006","0.001","90","","1826.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br O3 P -","- C18 H22 Br O3 P -","- C72 H88 Br4 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.2615","0.1842","","","0.4463","0.4999","","","","","","1.11","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154159","15.737","0.004","14.565","0.003","20.694","0.005","90","","111.581","0.003","90","","4410.7","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O2 S2 -","- C22 H29 N O2 S2 -","- C176 H232 N8 O16 S16 -","8","2","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides.","Organic & biomolecular chemistry","2014","12","46","9337","","10.1039/c4ob01713g","","","0.71073","MoKα","","0.0943","0.083","","","0.1357","0.1404","","","","","","1.271","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154160","22.425","0.005","8.478","0.003","14.695","0.007","90","","108.438","0.004","90","","2650.4","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 S -","- C13 H19 N O2 S -","- C104 H152 N8 O16 S8 -","8","2","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides.","Organic & biomolecular chemistry","2014","12","46","9337","","10.1039/c4ob01713g","","","0.71073","MoKα","","0.0952","0.0809","","","0.1577","0.1662","","","","","","1.16","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154184","18.769","0.004","12.495","0.003","13.68","0.003","90","","90","","90","","3208.2","1.2","173.15","","173.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","anti-5g","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C112 H112 N32 O32 -","8","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.089","0.0825","","","0.2014","0.2066","","","","","","1.139","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154185","10.8728","0.0015","14.6282","0.0018","16.068","0.002","73.171","0.006","81.536","0.007","77.112","0.007","2375.2","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","syn-5a","","- C22 H25 Cl2 N5 O4 S -","- C22 H25 Cl2 N5 O4 S -","- C88 H100 Cl8 N20 O16 S4 -","4","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0759","0.0641","","","0.1301","0.1373","","","","","","1.126","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154186","7.764","0.003","9.345","0.004","20.472","0.009","80.083","0.016","86.694","0.016","79.18","0.013","1436.6","1","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","syn-5g","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C56 H56 N16 O16 -","4","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.1272","0.1109","","","0.3066","0.3194","","","","","","1.123","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154187","13.41","0.003","6.5061","0.0013","18.689","0.004","90","","94.61","0.03","90","","1625.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5h","","- C14 H14 N8 O4 -","- C14 H14 N8 O4 -","- C56 H56 N32 O16 -","4","1","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0634","0.0534","","","0.1803","0.2237","","","","","","1.205","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154188","18.126","0.005","14.074","0.004","16.468","0.006","90","","95.045","0.004","90","","4185","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","anti-5a","","- C21 H23 N5 O4 S -","- C21 H23 N5 O4 S -","- C168 H184 N40 O32 S8 -","8","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0995","0.0834","","","0.1577","0.1659","","","","","","1.242","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154189","10.9779","0.0007","5.7869","0.0005","12.1402","0.001","90","","92.349","0.004","90","","770.59","0.1","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C28 H38 N2 O10 S2 -","2","1","","Denoël, Thibaut; Zervosen, Astrid; Lemaire, Christian; Joris, Bernard; Hervé, Mireille; Blanot, Didier; Zaragoza, Guillermo; Luxen, André","Enantioselective synthesis of α-benzylated lanthionines and related tripeptides for biological incorporation into E. coli peptidoglycan.","Organic & biomolecular chemistry","2014","12","48","9853","9863","10.1039/c4ob01476f","","x-ray","0.7107","MoKα","","0.0357","0.0325","","","0.068","0.0695","","","","","","1.014","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154190","5.7297","0.0003","16.224","0.0009","17.5243","0.0009","90","","90","","90","","1629.04","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N4 O5 S -","- C14 H18 N4 O5 S -","- C56 H72 N16 O20 S4 -","4","1","","Denoël, Thibaut; Zervosen, Astrid; Lemaire, Christian; Joris, Bernard; Hervé, Mireille; Blanot, Didier; Zaragoza, Guillermo; Luxen, André","Enantioselective synthesis of α-benzylated lanthionines and related tripeptides for biological incorporation into E. coli peptidoglycan.","Organic & biomolecular chemistry","2014","12","48","9853","9863","10.1039/c4ob01476f","","x-ray","0.7107","MoKα","","0.0762","0.0465","","","0.0949","0.1098","","","","","","0.854","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154192","15.0756","0.0002","15.9328","0.0003","28.2582","0.0006","90","","90","","90","","6787.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[1,3-Bis(1,3,4,6-O-benzyl-2-deoxy‒D-glucopyranoside)imidazol-2-ylidene](chloro)(1,5-cyclooctadiene)rhodium(I)","","- C79 H84 Cl N2 O10 Rh -","- C79 H84 Cl N2 O10 Rh -","- C316 H336 Cl4 N8 O40 Rh4 -","4","1","","Henderson, Alexander S.; Bower, John F.; Galan, M. Carmen","Carbohydrate-based N-heterocyclic carbenes for enantioselective catalysis.","Organic & biomolecular chemistry","2014","12","45","9180","9183","10.1039/c4ob02056a","","","0.71073","MoKα","","0.0462","0.0334","","","0.0611","0.0653","","","","","","1.013","","","","has coordinates","180327","2020-10-21","18:00:00",""